smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCC([NH+]2CCC(NC(=S)NCCN3CCOCC3)CC2)CC1 ZINC000747620024 836252772 /nfs/dbraw/zinc/25/27/72/836252772.db2.gz VUVSLRWFJDOLNT-UHFFFAOYSA-N 2 2 369.579 0.341 10 0 FCAELP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H]2CCC[C@]3(CCOC3)O2)CC1 ZINC001168331414 850583078 /nfs/dbraw/zinc/58/30/78/850583078.db2.gz FYUZUGGBKKGOFM-ZHALLVOQSA-N 2 2 351.491 0.953 10 0 FCAELP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H]2CCC[C@]3(CCOC3)O2)CC1 ZINC001168331414 850583085 /nfs/dbraw/zinc/58/30/85/850583085.db2.gz FYUZUGGBKKGOFM-ZHALLVOQSA-N 2 2 351.491 0.953 10 0 FCAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001197572906 853134075 /nfs/dbraw/zinc/13/40/75/853134075.db2.gz GKAGFTMOGOJGPS-IRXDYDNUSA-N 2 2 355.504 0.350 10 0 FCAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001197572906 853134081 /nfs/dbraw/zinc/13/40/81/853134081.db2.gz GKAGFTMOGOJGPS-IRXDYDNUSA-N 2 2 355.504 0.350 10 0 FCAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001197572906 853134087 /nfs/dbraw/zinc/13/40/87/853134087.db2.gz GKAGFTMOGOJGPS-IRXDYDNUSA-N 2 2 355.504 0.350 10 0 FCAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001197572906 853134092 /nfs/dbraw/zinc/13/40/92/853134092.db2.gz GKAGFTMOGOJGPS-IRXDYDNUSA-N 2 2 355.504 0.350 10 0 FCAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001197572904 853134661 /nfs/dbraw/zinc/13/46/61/853134661.db2.gz GKAGFTMOGOJGPS-IAGOWNOFSA-N 2 2 355.504 0.350 10 0 FCAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001197572904 853134665 /nfs/dbraw/zinc/13/46/65/853134665.db2.gz GKAGFTMOGOJGPS-IAGOWNOFSA-N 2 2 355.504 0.350 10 0 FCAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001197572904 853134669 /nfs/dbraw/zinc/13/46/69/853134669.db2.gz GKAGFTMOGOJGPS-IAGOWNOFSA-N 2 2 355.504 0.350 10 0 FCAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001197572904 853134671 /nfs/dbraw/zinc/13/46/71/853134671.db2.gz GKAGFTMOGOJGPS-IAGOWNOFSA-N 2 2 355.504 0.350 10 0 FCAELP CC(C)(C)[C@H](C[NH2+]CCS(C)(=O)=O)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001278973315 862590873 /nfs/dbraw/zinc/59/08/73/862590873.db2.gz RPHXIFSRPHPGEO-BZPMIXESSA-N 2 2 356.492 0.678 10 0 FCAELP CCc1noc([C@@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001279718035 863021474 /nfs/dbraw/zinc/02/14/74/863021474.db2.gz QSOULAFPVBBMMK-MGPQQGTHSA-N 2 2 353.467 0.444 10 0 FCAELP CCc1noc([C@@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001279718035 863021484 /nfs/dbraw/zinc/02/14/84/863021484.db2.gz QSOULAFPVBBMMK-MGPQQGTHSA-N 2 2 353.467 0.444 10 0 FCAELP CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001263583809 859180862 /nfs/dbraw/zinc/18/08/62/859180862.db2.gz MPTKHSMVKIIGQK-CVYDXHPNSA-N 2 2 356.463 0.519 10 0 FCAELP CO[C@@H]1C[N@@H+](C)[C@](C)(COC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001263583809 859180866 /nfs/dbraw/zinc/18/08/66/859180866.db2.gz MPTKHSMVKIIGQK-CVYDXHPNSA-N 2 2 356.463 0.519 10 0 FCAELP CCC1([NH+](C)C)CCN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC001263749295 859202097 /nfs/dbraw/zinc/20/20/97/859202097.db2.gz XNPTXRBJXMYPOS-UHFFFAOYSA-N 2 2 354.495 0.951 10 0 FCAELP CCC1([NH+](C)C)CCN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC001263749295 859202111 /nfs/dbraw/zinc/20/21/11/859202111.db2.gz XNPTXRBJXMYPOS-UHFFFAOYSA-N 2 2 354.495 0.951 10 0 FCAELP COC[C@H](O)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001264183225 859346622 /nfs/dbraw/zinc/34/66/22/859346622.db2.gz KNBRZWFQAZHFKV-ZJIFWQFVSA-N 2 2 350.463 0.833 10 0 FCAELP COC[C@H](O)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001264183225 859346632 /nfs/dbraw/zinc/34/66/32/859346632.db2.gz KNBRZWFQAZHFKV-ZJIFWQFVSA-N 2 2 350.463 0.833 10 0 FCAELP COC[C@H](O)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001264183225 859346638 /nfs/dbraw/zinc/34/66/38/859346638.db2.gz KNBRZWFQAZHFKV-ZJIFWQFVSA-N 2 2 350.463 0.833 10 0 FCAELP COC[C@H](O)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001264183225 859346648 /nfs/dbraw/zinc/34/66/48/859346648.db2.gz KNBRZWFQAZHFKV-ZJIFWQFVSA-N 2 2 350.463 0.833 10 0 FCAELP CS(=O)(=O)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001265673916 859463580 /nfs/dbraw/zinc/46/35/80/859463580.db2.gz OFRUSTWYRUQYLM-BFHYXJOUSA-N 2 2 354.476 0.529 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C/C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001268592971 859536341 /nfs/dbraw/zinc/53/63/41/859536341.db2.gz NIPPCBZKRQYVRI-XNSUYEGNSA-N 2 2 366.487 0.220 10 0 FCAELP CS(=O)(=O)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001272733760 860241180 /nfs/dbraw/zinc/24/11/80/860241180.db2.gz GTPBOJHEWXRPOO-KBUPBQIOSA-N 2 2 368.503 0.822 10 0 FCAELP CS(=O)(=O)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001272733760 860241185 /nfs/dbraw/zinc/24/11/85/860241185.db2.gz GTPBOJHEWXRPOO-KBUPBQIOSA-N 2 2 368.503 0.822 10 0 FCAELP CC(C)c1nsc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001283760661 864517173 /nfs/dbraw/zinc/51/71/73/864517173.db2.gz XNUABVRTZDPZLK-FRRDWIJNSA-N 2 2 355.508 0.568 10 0 FCAELP CC(C)c1nsc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001283760661 864517181 /nfs/dbraw/zinc/51/71/81/864517181.db2.gz XNUABVRTZDPZLK-FRRDWIJNSA-N 2 2 355.508 0.568 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@]3(C)CC3(C)C)C2)CC1 ZINC001350405889 866587266 /nfs/dbraw/zinc/58/72/66/866587266.db2.gz RQADEBNKIDUUIC-IFXJQAMLSA-N 2 2 350.507 0.824 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@]3(C)CC3(C)C)C2)CC1 ZINC001350405889 866587273 /nfs/dbraw/zinc/58/72/73/866587273.db2.gz RQADEBNKIDUUIC-IFXJQAMLSA-N 2 2 350.507 0.824 10 0 FCAELP CCS(=O)(=O)CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H]1C ZINC001316792002 867491817 /nfs/dbraw/zinc/49/18/17/867491817.db2.gz ANPYHNHPXZUTJR-OAGGEKHMSA-N 2 2 359.536 0.732 10 0 FCAELP CCS(=O)(=O)CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H]1C ZINC001316792002 867491829 /nfs/dbraw/zinc/49/18/29/867491829.db2.gz ANPYHNHPXZUTJR-OAGGEKHMSA-N 2 2 359.536 0.732 10 0 FCAELP CCS(=O)(=O)CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001316792002 867491841 /nfs/dbraw/zinc/49/18/41/867491841.db2.gz ANPYHNHPXZUTJR-OAGGEKHMSA-N 2 2 359.536 0.732 10 0 FCAELP CCS(=O)(=O)CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001316792002 867491850 /nfs/dbraw/zinc/49/18/50/867491850.db2.gz ANPYHNHPXZUTJR-OAGGEKHMSA-N 2 2 359.536 0.732 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CCC([NH2+]CCOCCO)CC1 ZINC001317227018 867525634 /nfs/dbraw/zinc/52/56/34/867525634.db2.gz SDQIWNMMGNGEIJ-QDIHITRGSA-N 2 2 350.463 0.550 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCc3cscn3)CC2)CC1 ZINC001322203222 868762895 /nfs/dbraw/zinc/76/28/95/868762895.db2.gz VJQHOOSIBMMZFJ-UHFFFAOYSA-N 2 2 365.503 0.434 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+]2CCNC(=O)NC(C)C)CC[N@@H+]1C ZINC001323243321 869113440 /nfs/dbraw/zinc/11/34/40/869113440.db2.gz QRBATEKJVQUIGM-OWCLPIDISA-N 2 2 353.511 0.615 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+]2CCNC(=O)NC(C)C)CC[N@H+]1C ZINC001323243321 869113451 /nfs/dbraw/zinc/11/34/51/869113451.db2.gz QRBATEKJVQUIGM-OWCLPIDISA-N 2 2 353.511 0.615 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CCNC(=O)NC(C)C)CC[NH+]1C ZINC001323243321 869113459 /nfs/dbraw/zinc/11/34/59/869113459.db2.gz QRBATEKJVQUIGM-OWCLPIDISA-N 2 2 353.511 0.615 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+]2CCNC(=O)NC(C)C)CC[NH+]1C ZINC001323243321 869113467 /nfs/dbraw/zinc/11/34/67/869113467.db2.gz QRBATEKJVQUIGM-OWCLPIDISA-N 2 2 353.511 0.615 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001327698804 871021317 /nfs/dbraw/zinc/02/13/17/871021317.db2.gz FBLPPDOHIRADLK-JONQDZQNSA-N 2 2 354.495 0.010 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001327698804 871021338 /nfs/dbraw/zinc/02/13/38/871021338.db2.gz FBLPPDOHIRADLK-JONQDZQNSA-N 2 2 354.495 0.010 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)COCC[NH+](C)C ZINC001344959630 871121394 /nfs/dbraw/zinc/12/13/94/871121394.db2.gz DMCZTDIKONTIMH-LSDHHAIUSA-N 2 2 351.451 0.026 10 0 FCAELP C[C@@H](NC(=O)N1CCOC2(CC[NH+](C)CC2)C1)[C@H]1CN(C)CC[N@@H+]1C ZINC001348265181 872650071 /nfs/dbraw/zinc/65/00/71/872650071.db2.gz UKEZKUODFGYWCQ-HZPDHXFCSA-N 2 2 353.511 0.127 10 0 FCAELP C[C@@H](NC(=O)N1CCOC2(CC[NH+](C)CC2)C1)[C@H]1CN(C)CC[N@H+]1C ZINC001348265181 872650077 /nfs/dbraw/zinc/65/00/77/872650077.db2.gz UKEZKUODFGYWCQ-HZPDHXFCSA-N 2 2 353.511 0.127 10 0 FCAELP CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001332388764 873490194 /nfs/dbraw/zinc/49/01/94/873490194.db2.gz RGUDZJGLSKRQSV-YRGRVCCFSA-N 2 2 354.476 0.384 10 0 FCAELP C[C@@H](NC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1)C1=CC[N@H+](C)CC1 ZINC001333545965 873998924 /nfs/dbraw/zinc/99/89/24/873998924.db2.gz UHRQSYJZLOGPKF-GFCCVEGCSA-N 2 2 365.503 0.588 10 0 FCAELP C[C@@H](NC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1)C1=CC[N@@H+](C)CC1 ZINC001333545965 873998932 /nfs/dbraw/zinc/99/89/32/873998932.db2.gz UHRQSYJZLOGPKF-GFCCVEGCSA-N 2 2 365.503 0.588 10 0 FCAELP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCOC[C@H](O)C1 ZINC000295085645 214277768 /nfs/dbraw/zinc/27/77/68/214277768.db2.gz BMRKZSAGJRRSFO-QFBILLFUSA-N 2 2 361.486 0.849 10 0 FCAELP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCOC[C@@H](O)C1 ZINC000295085644 214277825 /nfs/dbraw/zinc/27/78/25/214277825.db2.gz BMRKZSAGJRRSFO-LPHOPBHVSA-N 2 2 361.486 0.849 10 0 FCAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000930492099 674031650 /nfs/dbraw/zinc/03/16/50/674031650.db2.gz VMJGVDWAQUVJNB-RISCZKNCSA-N 2 2 365.503 0.420 10 0 FCAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000930492099 674031654 /nfs/dbraw/zinc/03/16/54/674031654.db2.gz VMJGVDWAQUVJNB-RISCZKNCSA-N 2 2 365.503 0.420 10 0 FCAELP C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000930912869 674075461 /nfs/dbraw/zinc/07/54/61/674075461.db2.gz CZAQEAOOWBLPRV-QLFBSQMISA-N 2 2 354.495 0.188 10 0 FCAELP C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000930912869 674075463 /nfs/dbraw/zinc/07/54/63/674075463.db2.gz CZAQEAOOWBLPRV-QLFBSQMISA-N 2 2 354.495 0.188 10 0 FCAELP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000285166265 213295548 /nfs/dbraw/zinc/29/55/48/213295548.db2.gz XZLWZOSJVVJELE-INIZCTEOSA-N 2 2 370.457 0.874 10 0 FCAELP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000285166265 213295552 /nfs/dbraw/zinc/29/55/52/213295552.db2.gz XZLWZOSJVVJELE-INIZCTEOSA-N 2 2 370.457 0.874 10 0 FCAELP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000284897674 213244176 /nfs/dbraw/zinc/24/41/76/213244176.db2.gz MEFZOWXDRMFBTR-OAHLLOKOSA-N 2 2 370.457 0.874 10 0 FCAELP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000284892803 213242123 /nfs/dbraw/zinc/24/21/23/213242123.db2.gz LZBWEULIPDKFSE-AWEZNQCLSA-N 2 2 358.446 0.730 10 0 FCAELP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000284892803 213242126 /nfs/dbraw/zinc/24/21/26/213242126.db2.gz LZBWEULIPDKFSE-AWEZNQCLSA-N 2 2 358.446 0.730 10 0 FCAELP O=C(NCC[NH+]1CCSCC1)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000284807853 213226575 /nfs/dbraw/zinc/22/65/75/213226575.db2.gz HGGQGLRFKPRPFC-UHFFFAOYSA-N 2 2 374.470 0.049 10 0 FCAELP COCC(COC)[NH+]1CCN(C(=O)NCc2ccc[nH+]c2N(C)C)CC1 ZINC000413113045 237280423 /nfs/dbraw/zinc/28/04/23/237280423.db2.gz WDAVJHVSFMIJTN-UHFFFAOYSA-N 2 2 365.478 0.636 10 0 FCAELP C[C@H](O)CNc1cc(N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)nc[nH+]1 ZINC000413158062 237289956 /nfs/dbraw/zinc/28/99/56/237289956.db2.gz VFJVMINNHIJGCB-ZDUSSCGKSA-N 2 2 358.450 0.452 10 0 FCAELP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000246430791 209387683 /nfs/dbraw/zinc/38/76/83/209387683.db2.gz SZJMMJFDSJMHRY-MSOLQXFVSA-N 2 2 368.522 0.994 10 0 FCAELP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000246430791 209387686 /nfs/dbraw/zinc/38/76/86/209387686.db2.gz SZJMMJFDSJMHRY-MSOLQXFVSA-N 2 2 368.522 0.994 10 0 FCAELP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245895494 209377383 /nfs/dbraw/zinc/37/73/83/209377383.db2.gz PEWZOIYKDKGWEH-CABCVRRESA-N 2 2 361.490 0.800 10 0 FCAELP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245895494 209377386 /nfs/dbraw/zinc/37/73/86/209377386.db2.gz PEWZOIYKDKGWEH-CABCVRRESA-N 2 2 361.490 0.800 10 0 FCAELP C[C@H]1CN(C(=O)CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C[C@H](C)O1 ZINC000245605189 209372682 /nfs/dbraw/zinc/37/26/82/209372682.db2.gz 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/nfs/dbraw/zinc/25/10/50/209251050.db2.gz UXYMNEPXZYXFGZ-KRWDZBQOSA-N 2 2 360.458 0.486 10 0 FCAELP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000188761762 209238059 /nfs/dbraw/zinc/23/80/59/209238059.db2.gz YDDOADKTZCKEOG-QGZVFWFLSA-N 2 2 355.442 0.547 10 0 FCAELP CCN(C)C(=O)[C@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000187848239 209220001 /nfs/dbraw/zinc/22/00/01/209220001.db2.gz MRFNUXLMMNUQNB-PMRDEQMMSA-N 2 2 365.522 0.806 10 0 FCAELP CCN(C)C(=O)[C@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000187848239 209220003 /nfs/dbraw/zinc/22/00/03/209220003.db2.gz MRFNUXLMMNUQNB-PMRDEQMMSA-N 2 2 365.522 0.806 10 0 FCAELP C[NH+]1CCN(C(=O)CC[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000374775267 217171031 /nfs/dbraw/zinc/17/10/31/217171031.db2.gz HSROZQLSTXQJRR-GOSISDBHSA-N 3 2 351.539 0.252 10 0 FCAELP Cn1cc([C@@H]2C[NH2+]CCN2C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cn1 ZINC000181414541 209113696 /nfs/dbraw/zinc/11/36/96/209113696.db2.gz 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C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000472466776 250150428 /nfs/dbraw/zinc/15/04/28/250150428.db2.gz WWCAZHAIEQTOKU-HOCLYGCPSA-N 2 2 350.507 0.776 10 0 FCAELP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000472466776 250150433 /nfs/dbraw/zinc/15/04/33/250150433.db2.gz WWCAZHAIEQTOKU-HOCLYGCPSA-N 2 2 350.507 0.776 10 0 FCAELP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000472466776 250150438 /nfs/dbraw/zinc/15/04/38/250150438.db2.gz WWCAZHAIEQTOKU-HOCLYGCPSA-N 2 2 350.507 0.776 10 0 FCAELP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000472466776 250150443 /nfs/dbraw/zinc/15/04/43/250150443.db2.gz WWCAZHAIEQTOKU-HOCLYGCPSA-N 2 2 350.507 0.776 10 0 FCAELP O=C(NCCCC[NH+]1CCOCC1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000073676588 208049149 /nfs/dbraw/zinc/04/91/49/208049149.db2.gz DFFFJNXOZFYBTP-GOSISDBHSA-N 2 2 368.522 0.995 10 0 FCAELP O=C(NC[C@H](O)C[NH+]1CCOCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000098093280 208163478 /nfs/dbraw/zinc/16/34/78/208163478.db2.gz LDDOTCHVBGTNBF-OALUTQOASA-N 2 2 361.486 0.708 10 0 FCAELP O=C(NC[C@H](O)C[NH+]1CCOCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000098093280 208163484 /nfs/dbraw/zinc/16/34/84/208163484.db2.gz LDDOTCHVBGTNBF-OALUTQOASA-N 2 2 361.486 0.708 10 0 FCAELP C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000104799400 208188567 /nfs/dbraw/zinc/18/85/67/208188567.db2.gz FBMQEQQYJSJQQP-GOSISDBHSA-N 2 2 362.474 0.723 10 0 FCAELP C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000104799400 208188573 /nfs/dbraw/zinc/18/85/73/208188573.db2.gz FBMQEQQYJSJQQP-GOSISDBHSA-N 2 2 362.474 0.723 10 0 FCAELP CCn1c(N)c(C(=O)C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c(=O)[nH]c1=O ZINC000106165457 208218105 /nfs/dbraw/zinc/21/81/05/208218105.db2.gz FDKWKDZIJNRUBJ-UHFFFAOYSA-N 2 2 374.445 0.010 10 0 FCAELP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000106529200 208225304 /nfs/dbraw/zinc/22/53/04/208225304.db2.gz ZGBYVZAVRRNAFI-OAHLLOKOSA-N 2 2 357.462 0.702 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC000109793914 208261624 /nfs/dbraw/zinc/26/16/24/208261624.db2.gz MMNJUFYLBXEERY-GOSISDBHSA-N 3 2 363.506 0.993 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC000109793914 208261631 /nfs/dbraw/zinc/26/16/31/208261631.db2.gz MMNJUFYLBXEERY-GOSISDBHSA-N 3 2 363.506 0.993 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(n3ccnc3)CC2)C1 ZINC000109793914 208261635 /nfs/dbraw/zinc/26/16/35/208261635.db2.gz MMNJUFYLBXEERY-GOSISDBHSA-N 2 2 363.506 0.993 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(n3ccnc3)CC2)C1 ZINC000109793914 208261641 /nfs/dbraw/zinc/26/16/41/208261641.db2.gz MMNJUFYLBXEERY-GOSISDBHSA-N 2 2 363.506 0.993 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000115798001 208327908 /nfs/dbraw/zinc/32/79/08/208327908.db2.gz TVQAHBNMVRTODB-INIZCTEOSA-N 2 2 364.494 0.358 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000115798001 208327911 /nfs/dbraw/zinc/32/79/11/208327911.db2.gz TVQAHBNMVRTODB-INIZCTEOSA-N 2 2 364.494 0.358 10 0 FCAELP C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000118115624 208349624 /nfs/dbraw/zinc/34/96/24/208349624.db2.gz MLOIPDDELSOKPT-GOSISDBHSA-N 2 2 374.485 0.710 10 0 FCAELP C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000118115624 208349627 /nfs/dbraw/zinc/34/96/27/208349627.db2.gz MLOIPDDELSOKPT-GOSISDBHSA-N 2 2 374.485 0.710 10 0 FCAELP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000118115659 208349721 /nfs/dbraw/zinc/34/97/21/208349721.db2.gz WEPXXUJTNRKPID-QGZVFWFLSA-N 2 2 362.474 0.914 10 0 FCAELP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000118115659 208349724 /nfs/dbraw/zinc/34/97/24/208349724.db2.gz WEPXXUJTNRKPID-QGZVFWFLSA-N 2 2 362.474 0.914 10 0 FCAELP C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000118107210 208350026 /nfs/dbraw/zinc/35/00/26/208350026.db2.gz WTIZDEWSRZORHX-INIZCTEOSA-N 2 2 360.458 0.668 10 0 FCAELP C[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000118107210 208350028 /nfs/dbraw/zinc/35/00/28/208350028.db2.gz WTIZDEWSRZORHX-INIZCTEOSA-N 2 2 360.458 0.668 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)C2(C(N)=O)CCCC2)C1 ZINC000120174684 208375500 /nfs/dbraw/zinc/37/55/00/208375500.db2.gz OWCLRLUAKRMQFE-OAHLLOKOSA-N 2 2 354.495 0.189 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)C2(C(N)=O)CCCC2)C1 ZINC000120174684 208375505 /nfs/dbraw/zinc/37/55/05/208375505.db2.gz OWCLRLUAKRMQFE-OAHLLOKOSA-N 2 2 354.495 0.189 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)C2(C(N)=O)CCCC2)C1 ZINC000120174684 208375513 /nfs/dbraw/zinc/37/55/13/208375513.db2.gz OWCLRLUAKRMQFE-OAHLLOKOSA-N 2 2 354.495 0.189 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)C2(C(N)=O)CCCC2)C1 ZINC000120174684 208375515 /nfs/dbraw/zinc/37/55/15/208375515.db2.gz OWCLRLUAKRMQFE-OAHLLOKOSA-N 2 2 354.495 0.189 10 0 FCAELP COC(=O)[C@]1(C)CCC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000412115389 533586955 /nfs/dbraw/zinc/58/69/55/533586955.db2.gz YFORVIJAFNWCBJ-VQIMIIECSA-N 2 2 369.506 0.735 10 0 FCAELP COC(=O)[C@]1(C)CCC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000412115389 533586965 /nfs/dbraw/zinc/58/69/65/533586965.db2.gz YFORVIJAFNWCBJ-VQIMIIECSA-N 2 2 369.506 0.735 10 0 FCAELP COC(=O)[C@]1(C)CCC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000412115389 533586973 /nfs/dbraw/zinc/58/69/73/533586973.db2.gz YFORVIJAFNWCBJ-VQIMIIECSA-N 2 2 369.506 0.735 10 0 FCAELP COC(=O)[C@]1(C)CCC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000412115389 533586982 /nfs/dbraw/zinc/58/69/82/533586982.db2.gz YFORVIJAFNWCBJ-VQIMIIECSA-N 2 2 369.506 0.735 10 0 FCAELP C[NH+]1CCC(CNC(=O)NC[C@]2(O)CCOC2)([NH+]2CCCCC2)CC1 ZINC000179607389 209083584 /nfs/dbraw/zinc/08/35/84/209083584.db2.gz IDOCMCSBNFSCKL-GOSISDBHSA-N 2 2 354.495 0.387 10 0 FCAELP Cc1cc(NCCNC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000627402396 484358967 /nfs/dbraw/zinc/35/89/67/484358967.db2.gz DTDWJZOXDXFJQC-CQSZACIVSA-N 2 2 362.478 0.552 10 0 FCAELP O=S(=O)(C[C@H]1C[NH2+]CCO1)NCCNc1ccc2ccccc2[nH+]1 ZINC000631921916 484383122 /nfs/dbraw/zinc/38/31/22/484383122.db2.gz WYAZGBWUMRJASH-CQSZACIVSA-N 2 2 350.444 0.555 10 0 FCAELP CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000052592956 488172863 /nfs/dbraw/zinc/17/28/63/488172863.db2.gz MOLQIVGPSWXNLJ-AWEZNQCLSA-N 2 2 372.477 0.679 10 0 FCAELP CC[N@H+]1CCC[C@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000052592956 488172866 /nfs/dbraw/zinc/17/28/66/488172866.db2.gz MOLQIVGPSWXNLJ-AWEZNQCLSA-N 2 2 372.477 0.679 10 0 FCAELP O=C1c2ccccc2C(=O)N1CC[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000053100614 488192324 /nfs/dbraw/zinc/19/23/24/488192324.db2.gz FRKMFCMFOQCYAC-UHFFFAOYSA-N 2 2 356.470 0.996 10 0 FCAELP CC[NH+]1CCN(CC(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC1 ZINC000061745380 488297483 /nfs/dbraw/zinc/29/74/83/488297483.db2.gz LWSRSBYFXLBVCV-UHFFFAOYSA-N 2 2 360.502 0.847 10 0 FCAELP C[NH+]1CCN(S(=O)(=O)c2ccc(N3CC[NH+](C4CC4)CC3)nc2)CC1 ZINC000067384120 488349600 /nfs/dbraw/zinc/34/96/00/488349600.db2.gz GAQGQIRCWJFACE-UHFFFAOYSA-N 2 2 365.503 0.302 10 0 FCAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000073722483 488386026 /nfs/dbraw/zinc/38/60/26/488386026.db2.gz JQKBMNAVJKGARC-NVXWUHKLSA-N 2 2 367.538 0.957 10 0 FCAELP CN(C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[C@H]1CCN(C)C1=O ZINC000074767689 488393981 /nfs/dbraw/zinc/39/39/81/488393981.db2.gz RSWHCNYVCHFSKW-INIZCTEOSA-N 2 2 365.522 0.809 10 0 FCAELP C[NH+]1CCN(CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000075158784 488395335 /nfs/dbraw/zinc/39/53/35/488395335.db2.gz YALIPXAYUKEARY-UHFFFAOYSA-N 3 2 351.539 0.300 10 0 FCAELP C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000194030020 488430862 /nfs/dbraw/zinc/43/08/62/488430862.db2.gz RNTMMBJWLFZMSY-HZPDHXFCSA-N 2 2 365.522 0.761 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000245443890 488464443 /nfs/dbraw/zinc/46/44/43/488464443.db2.gz XNJIAJMVJCRJAZ-HIFRSBDPSA-N 2 2 367.412 0.459 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000245443890 488464444 /nfs/dbraw/zinc/46/44/44/488464444.db2.gz XNJIAJMVJCRJAZ-HIFRSBDPSA-N 2 2 367.412 0.459 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000245443890 488464445 /nfs/dbraw/zinc/46/44/45/488464445.db2.gz XNJIAJMVJCRJAZ-HIFRSBDPSA-N 2 2 367.412 0.459 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000245443890 488464446 /nfs/dbraw/zinc/46/44/46/488464446.db2.gz XNJIAJMVJCRJAZ-HIFRSBDPSA-N 2 2 367.412 0.459 10 0 FCAELP Cc1[nH+]ccn1-c1cncc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000092922845 488477406 /nfs/dbraw/zinc/47/74/06/488477406.db2.gz GBXHGOLAIZRLPA-HNNXBMFYSA-N 2 2 355.446 0.714 10 0 FCAELP Cc1[nH+]ccn1-c1cncc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000092922845 488477408 /nfs/dbraw/zinc/47/74/08/488477408.db2.gz GBXHGOLAIZRLPA-HNNXBMFYSA-N 2 2 355.446 0.714 10 0 FCAELP C[C@@H]1C[NH+](C[C@H]2CCCN2S(=O)(=O)CC[NH+]2CCCC2)C[C@@H](C)O1 ZINC000249126413 488507121 /nfs/dbraw/zinc/50/71/21/488507121.db2.gz CJIMSCLGGTUEIL-BRWVUGGUSA-N 2 2 359.536 0.986 10 0 FCAELP CCOCC[N@@H+]1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC000106110367 488512171 /nfs/dbraw/zinc/51/21/71/488512171.db2.gz GVSHISSAMHDDKR-KRWDZBQOSA-N 2 2 370.538 0.256 10 0 FCAELP CCOCC[N@H+]1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC000106110367 488512174 /nfs/dbraw/zinc/51/21/74/488512174.db2.gz GVSHISSAMHDDKR-KRWDZBQOSA-N 2 2 370.538 0.256 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]CCC(=O)Nc2cccnc2)C1=O ZINC000563012290 491207753 /nfs/dbraw/zinc/20/77/53/491207753.db2.gz WVRWPUMCHQYTAI-OAHLLOKOSA-N 2 2 356.430 0.925 10 0 FCAELP C[NH+]1CCC(CNC(=O)[C@H]([NH3+])C2CCOCC2)([NH+]2CCCCC2)CC1 ZINC000261716005 488532497 /nfs/dbraw/zinc/53/24/97/488532497.db2.gz IYTBLODDJMMJOR-QGZVFWFLSA-N 3 2 352.523 0.807 10 0 FCAELP C[C@@H](NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1)c1ccccc1Cl ZINC000261864188 488539021 /nfs/dbraw/zinc/53/90/21/488539021.db2.gz KQEPZRLMUPSSKQ-CYBMUJFWSA-N 2 2 352.866 0.881 10 0 FCAELP C[C@@H](NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1)c1ccccc1Cl ZINC000261864188 488539022 /nfs/dbraw/zinc/53/90/22/488539022.db2.gz KQEPZRLMUPSSKQ-CYBMUJFWSA-N 2 2 352.866 0.881 10 0 FCAELP [NH3+]Cc1ccc(-c2noc([C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)n2)cc1 ZINC000262114041 488551570 /nfs/dbraw/zinc/55/15/70/488551570.db2.gz WSFCOFGEFWCZSC-MRXNPFEDSA-N 2 2 371.441 0.843 10 0 FCAELP C[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000262243642 488559367 /nfs/dbraw/zinc/55/93/67/488559367.db2.gz LBTWXXKCWSICSA-KEYYUXOJSA-N 2 2 350.438 0.033 10 0 FCAELP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000272365617 488576294 /nfs/dbraw/zinc/57/62/94/488576294.db2.gz SYDYMXVPLBZQNP-CQSZACIVSA-N 2 2 357.414 0.977 10 0 FCAELP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262690739 488586634 /nfs/dbraw/zinc/58/66/34/488586634.db2.gz AGFZAELHFXLYIB-INIZCTEOSA-N 2 2 352.429 0.918 10 0 FCAELP CC[C@H]1CN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC[N@@H+]1C[C@H](C)O ZINC000274316110 488697869 /nfs/dbraw/zinc/69/78/69/488697869.db2.gz BZIXJNDPGKZIJG-GJZGRUSLSA-N 2 2 362.478 0.036 10 0 FCAELP CC[C@H]1CN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC[N@H+]1C[C@H](C)O ZINC000274316110 488697870 /nfs/dbraw/zinc/69/78/70/488697870.db2.gz BZIXJNDPGKZIJG-GJZGRUSLSA-N 2 2 362.478 0.036 10 0 FCAELP O=C(CCC(=O)N1CC[NH+](C2CC2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000152463911 488718320 /nfs/dbraw/zinc/71/83/20/488718320.db2.gz UBGZLQOJSTTXLP-UHFFFAOYSA-N 2 2 371.485 0.817 10 0 FCAELP C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C1 ZINC000162290281 488801572 /nfs/dbraw/zinc/80/15/72/488801572.db2.gz UAGUPUNQWPRZNY-LJQANCHMSA-N 2 2 361.486 0.951 10 0 FCAELP C[N@H+]1CCO[C@H](CNC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C1 ZINC000162290281 488801576 /nfs/dbraw/zinc/80/15/76/488801576.db2.gz UAGUPUNQWPRZNY-LJQANCHMSA-N 2 2 361.486 0.951 10 0 FCAELP O=C(N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000168300594 488812776 /nfs/dbraw/zinc/81/27/76/488812776.db2.gz DQIDOSMJCZGXIL-QAPCUYQASA-N 2 2 351.422 0.272 10 0 FCAELP C[C@@H]1C[N@@H+](C2CC[NH+](CCCN3C(=O)NC(C)(C)C3=O)CC2)CCO1 ZINC000170928320 488818223 /nfs/dbraw/zinc/81/82/23/488818223.db2.gz MWCYISYEUOYADN-CQSZACIVSA-N 2 2 352.479 0.892 10 0 FCAELP C[C@@H]1C[N@H+](C2CC[NH+](CCCN3C(=O)NC(C)(C)C3=O)CC2)CCO1 ZINC000170928320 488818224 /nfs/dbraw/zinc/81/82/24/488818224.db2.gz MWCYISYEUOYADN-CQSZACIVSA-N 2 2 352.479 0.892 10 0 FCAELP CN(Cc1cnn(C)c1)C(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000170942166 488818478 /nfs/dbraw/zinc/81/84/78/488818478.db2.gz FEGNYPVBBWOYAC-UHFFFAOYSA-N 2 2 373.505 0.671 10 0 FCAELP CN(Cc1cnn(C)c1)C(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000170942166 488818479 /nfs/dbraw/zinc/81/84/79/488818479.db2.gz FEGNYPVBBWOYAC-UHFFFAOYSA-N 2 2 373.505 0.671 10 0 FCAELP C[C@H](C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000171814250 488827124 /nfs/dbraw/zinc/82/71/24/488827124.db2.gz TXBMHWNDKMNRRX-MJGOQNOKSA-N 2 2 360.502 0.500 10 0 FCAELP OC[C@H]1CCCN1c1cc(N2CC[NH+](CC3CCOCC3)CC2)nc[nH+]1 ZINC000172411119 488834022 /nfs/dbraw/zinc/83/40/22/488834022.db2.gz VQWZXRIGKDTUAQ-QGZVFWFLSA-N 2 2 361.490 0.986 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCC[C@H](C(N)=O)C3)CC2)CC1 ZINC000172573089 488835717 /nfs/dbraw/zinc/83/57/17/488835717.db2.gz RUDFPKKITFDLAC-GOEBONIOSA-N 2 2 365.522 0.888 10 0 FCAELP CN1CC[C@@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1=O ZINC000172754902 488837504 /nfs/dbraw/zinc/83/75/04/488837504.db2.gz SRIFNAOOQHRIDG-MRXNPFEDSA-N 2 2 350.507 0.921 10 0 FCAELP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000173914184 488846310 /nfs/dbraw/zinc/84/63/10/488846310.db2.gz LNOHECWLGCVZGH-MSOLQXFVSA-N 2 2 367.538 0.376 10 0 FCAELP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@@H]3C[N@H+](C)CCO3)CC2)c1 ZINC000174391942 488848916 /nfs/dbraw/zinc/84/89/16/488848916.db2.gz CDMSBPXXMKKNPH-LJQANCHMSA-N 2 2 360.502 0.954 10 0 FCAELP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC000174391942 488848917 /nfs/dbraw/zinc/84/89/17/488848917.db2.gz CDMSBPXXMKKNPH-LJQANCHMSA-N 2 2 360.502 0.954 10 0 FCAELP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000174691970 488850645 /nfs/dbraw/zinc/85/06/45/488850645.db2.gz VGALBMXBELESJP-KRWDZBQOSA-N 2 2 368.522 0.994 10 0 FCAELP CC1(C)COCC[N@H+]1CCNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000174691970 488850646 /nfs/dbraw/zinc/85/06/46/488850646.db2.gz VGALBMXBELESJP-KRWDZBQOSA-N 2 2 368.522 0.994 10 0 FCAELP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@H]3C[N@H+](C)CCO3)c2)CC1 ZINC000174679725 488850701 /nfs/dbraw/zinc/85/07/01/488850701.db2.gz APECXLVNXWUXSY-QGZVFWFLSA-N 2 2 360.458 0.272 10 0 FCAELP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@H]3C[N@@H+](C)CCO3)c2)CC1 ZINC000174679725 488850702 /nfs/dbraw/zinc/85/07/02/488850702.db2.gz APECXLVNXWUXSY-QGZVFWFLSA-N 2 2 360.458 0.272 10 0 FCAELP C[C@H]1CN(C(=O)NCCCC[NH+]2CCOCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000175673012 488854838 /nfs/dbraw/zinc/85/48/38/488854838.db2.gz UOKKUXGEFOUMMZ-IRXDYDNUSA-N 2 2 354.495 0.461 10 0 FCAELP CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177121124 488859272 /nfs/dbraw/zinc/85/92/72/488859272.db2.gz SKEZZEHZCATGGZ-INIZCTEOSA-N 2 2 374.551 0.333 10 0 FCAELP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000177152892 488859280 /nfs/dbraw/zinc/85/92/80/488859280.db2.gz SJDOVJUAEOTMDR-UHFFFAOYSA-N 3 2 374.533 0.589 10 0 FCAELP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000288474923 488984688 /nfs/dbraw/zinc/98/46/88/488984688.db2.gz RGHSBTJQRGOBPH-ROUUACIJSA-N 2 2 374.485 0.339 10 0 FCAELP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000288474923 488984690 /nfs/dbraw/zinc/98/46/90/488984690.db2.gz RGHSBTJQRGOBPH-ROUUACIJSA-N 2 2 374.485 0.339 10 0 FCAELP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@H](O)C4(CC4)C3)CC2)cc1 ZINC000364863531 489011293 /nfs/dbraw/zinc/01/12/93/489011293.db2.gz SESLKMRCXXHYGF-SFHVURJKSA-N 2 2 359.470 0.796 10 0 FCAELP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@H](O)C4(CC4)C3)CC2)cc1 ZINC000364863531 489011297 /nfs/dbraw/zinc/01/12/97/489011297.db2.gz SESLKMRCXXHYGF-SFHVURJKSA-N 2 2 359.470 0.796 10 0 FCAELP COC1CCN(S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000657071131 492709190 /nfs/dbraw/zinc/70/91/90/492709190.db2.gz GOZURBFDBFEYFM-AWEZNQCLSA-N 2 2 350.529 0.204 10 0 FCAELP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000297699553 489226153 /nfs/dbraw/zinc/22/61/53/489226153.db2.gz MMVSSAJWEBLYQU-UHFFFAOYSA-N 2 2 351.451 0.152 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(CC(F)F)CC3)C2)CC1 ZINC000369369124 489231029 /nfs/dbraw/zinc/23/10/29/489231029.db2.gz FFTBHTXCNBCWGE-CQSZACIVSA-N 2 2 359.465 0.747 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(CC(F)F)CC3)C2)CC1 ZINC000369369124 489231031 /nfs/dbraw/zinc/23/10/31/489231031.db2.gz FFTBHTXCNBCWGE-CQSZACIVSA-N 2 2 359.465 0.747 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N(C)CCC[NH+]3CCCC3)CC2)cc[nH+]1 ZINC000297748179 489234977 /nfs/dbraw/zinc/23/49/77/489234977.db2.gz ORSDMGPQJKTZMF-UHFFFAOYSA-N 2 2 374.489 0.378 10 0 FCAELP C[NH+]1CCC(CNC(=O)Cn2ccc(=O)[nH]c2=O)([NH+]2CCCCC2)CC1 ZINC000369688951 489264260 /nfs/dbraw/zinc/26/42/60/489264260.db2.gz VCQMJQCEQSNLLV-UHFFFAOYSA-N 2 2 363.462 0.015 10 0 FCAELP C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)CC[N@@H+]1C ZINC000284081565 489301032 /nfs/dbraw/zinc/30/10/32/489301032.db2.gz SOHVGZLZYSUACT-HOCLYGCPSA-N 2 2 357.458 0.934 10 0 FCAELP C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)CC[N@H+]1C ZINC000284081565 489301034 /nfs/dbraw/zinc/30/10/34/489301034.db2.gz SOHVGZLZYSUACT-HOCLYGCPSA-N 2 2 357.458 0.934 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@](O)(C(F)(F)F)C3)C2)CC1 ZINC000370025834 489305539 /nfs/dbraw/zinc/30/55/39/489305539.db2.gz HCIGICFEUFYBKM-SWLSCSKDSA-N 2 2 364.412 0.864 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@](O)(C(F)(F)F)C3)C2)CC1 ZINC000370025834 489305540 /nfs/dbraw/zinc/30/55/40/489305540.db2.gz HCIGICFEUFYBKM-SWLSCSKDSA-N 2 2 364.412 0.864 10 0 FCAELP C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000370186817 489325513 /nfs/dbraw/zinc/32/55/13/489325513.db2.gz XBLYUJNGJKKAIZ-ANQUJSFKSA-N 2 2 363.506 0.463 10 0 FCAELP C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000370186817 489325516 /nfs/dbraw/zinc/32/55/16/489325516.db2.gz XBLYUJNGJKKAIZ-ANQUJSFKSA-N 2 2 363.506 0.463 10 0 FCAELP c1c(C[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)nc2ncccn12 ZINC000298564834 489337880 /nfs/dbraw/zinc/33/78/80/489337880.db2.gz WLIMPKDJERSOGE-UHFFFAOYSA-N 2 2 352.446 0.821 10 0 FCAELP COC[C@H](C)C[NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000555428063 491250774 /nfs/dbraw/zinc/25/07/74/491250774.db2.gz DLWZAIJHABNMQE-CVEARBPZSA-N 2 2 363.506 0.705 10 0 FCAELP C[NH+](C)Cc1cc(CNC(=O)C(=O)NCCCn2cc[nH+]c2)ccc1F ZINC000563504164 491251611 /nfs/dbraw/zinc/25/16/11/491251611.db2.gz BSKBQAFRGVILDS-UHFFFAOYSA-N 2 2 361.421 0.907 10 0 FCAELP CC(C)(CNC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1)[NH+]1CCOCC1 ZINC000362704540 489393159 /nfs/dbraw/zinc/39/31/59/489393159.db2.gz UFOKXBYFMHNUMN-HOTGVXAUSA-N 2 2 366.506 0.204 10 0 FCAELP CC(C)(CNC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1)[NH+]1CCOCC1 ZINC000362704540 489393161 /nfs/dbraw/zinc/39/31/61/489393161.db2.gz UFOKXBYFMHNUMN-HOTGVXAUSA-N 2 2 366.506 0.204 10 0 FCAELP CC[N@H+](CCNS(=O)(=O)C[C@H]1C[NH+](C)CCO1)CCC(F)(F)F ZINC000632274377 492962454 /nfs/dbraw/zinc/96/24/54/492962454.db2.gz FZJFSRQUHZRMCB-GFCCVEGCSA-N 2 2 361.430 0.511 10 0 FCAELP CC[N@@H+](CCNS(=O)(=O)C[C@H]1C[NH+](C)CCO1)CCC(F)(F)F ZINC000632274377 492962456 /nfs/dbraw/zinc/96/24/56/492962456.db2.gz FZJFSRQUHZRMCB-GFCCVEGCSA-N 2 2 361.430 0.511 10 0 FCAELP CC[NH+](CCNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)CCC(F)(F)F ZINC000632274377 492962459 /nfs/dbraw/zinc/96/24/59/492962459.db2.gz FZJFSRQUHZRMCB-GFCCVEGCSA-N 2 2 361.430 0.511 10 0 FCAELP CC[NH+](CCNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)CCC(F)(F)F ZINC000632274377 492962460 /nfs/dbraw/zinc/96/24/60/492962460.db2.gz FZJFSRQUHZRMCB-GFCCVEGCSA-N 2 2 361.430 0.511 10 0 FCAELP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1C ZINC000423215636 489503861 /nfs/dbraw/zinc/50/38/61/489503861.db2.gz QYGJJKLFVVCPFR-GJZGRUSLSA-N 2 2 360.458 0.876 10 0 FCAELP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+][C@@H]2COCC2(C)C)CC1 ZINC000451808739 489525099 /nfs/dbraw/zinc/52/50/99/489525099.db2.gz GOENCTJWNGPBHB-CQSZACIVSA-N 2 2 373.461 0.027 10 0 FCAELP C[C@@H]1C[N@H+](CCO)CCN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000452112008 489548009 /nfs/dbraw/zinc/54/80/09/489548009.db2.gz DQVILBHWHNFVHL-GOSISDBHSA-N 2 2 360.502 0.329 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)CCN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000452112008 489548011 /nfs/dbraw/zinc/54/80/11/489548011.db2.gz DQVILBHWHNFVHL-GOSISDBHSA-N 2 2 360.502 0.329 10 0 FCAELP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@H]3CCCC[NH2+]C3)c2)CC1 ZINC000415859518 489560539 /nfs/dbraw/zinc/56/05/39/489560539.db2.gz BBAYEWHUFBAMTE-SFHVURJKSA-N 2 2 373.501 0.631 10 0 FCAELP C[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1CCO ZINC000426481424 489569095 /nfs/dbraw/zinc/56/90/95/489569095.db2.gz ZORFSRTWUAVZBC-SFHVURJKSA-N 2 2 360.502 0.329 10 0 FCAELP C[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1CCO ZINC000426481424 489569098 /nfs/dbraw/zinc/56/90/98/489569098.db2.gz ZORFSRTWUAVZBC-SFHVURJKSA-N 2 2 360.502 0.329 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000426482295 489569591 /nfs/dbraw/zinc/56/95/91/489569591.db2.gz KJSYGCKXVZSEAO-RBUKOAKNSA-N 2 2 374.529 0.890 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000426482295 489569597 /nfs/dbraw/zinc/56/95/97/489569597.db2.gz KJSYGCKXVZSEAO-RBUKOAKNSA-N 2 2 374.529 0.890 10 0 FCAELP COCC[C@@H](C)[NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000372818446 489639402 /nfs/dbraw/zinc/63/94/02/489639402.db2.gz LZZYDFUEHQUZSI-CVEARBPZSA-N 2 2 363.506 0.848 10 0 FCAELP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[N@H+](CCO)C[C@H]2C)C[C@@H](C)O1 ZINC000457576019 489650021 /nfs/dbraw/zinc/65/00/21/489650021.db2.gz VDKLHVBCRGWTCT-BZUAXINKSA-N 2 2 356.511 0.582 10 0 FCAELP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[N@@H+](CCO)C[C@H]2C)C[C@@H](C)O1 ZINC000457576019 489650023 /nfs/dbraw/zinc/65/00/23/489650023.db2.gz VDKLHVBCRGWTCT-BZUAXINKSA-N 2 2 356.511 0.582 10 0 FCAELP CCCN(C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000417711511 489662391 /nfs/dbraw/zinc/66/23/91/489662391.db2.gz PWRQGWMUIBBRFB-QGZVFWFLSA-N 2 2 365.522 0.714 10 0 FCAELP [NH3+]CC[C@@H](NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)C(F)F ZINC000417704612 489662435 /nfs/dbraw/zinc/66/24/35/489662435.db2.gz LHRWRLRIFMDCCL-CYBMUJFWSA-N 2 2 361.437 0.212 10 0 FCAELP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000418799359 489730389 /nfs/dbraw/zinc/73/03/89/489730389.db2.gz HSFLHYQYVMXJJB-STQMWFEESA-N 2 2 368.428 0.851 10 0 FCAELP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000418799359 489730392 /nfs/dbraw/zinc/73/03/92/489730392.db2.gz HSFLHYQYVMXJJB-STQMWFEESA-N 2 2 368.428 0.851 10 0 FCAELP CN(CC[NH3+])C(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000418808907 489733065 /nfs/dbraw/zinc/73/30/65/489733065.db2.gz RWFOVKXAIOFMNR-LBPRGKRZSA-N 2 2 354.401 0.463 10 0 FCAELP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418900103 489782311 /nfs/dbraw/zinc/78/23/11/489782311.db2.gz CPVSGHJQRAEBNM-IUIKQTSFSA-N 2 2 366.412 0.647 10 0 FCAELP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418900103 489782316 /nfs/dbraw/zinc/78/23/16/489782316.db2.gz CPVSGHJQRAEBNM-IUIKQTSFSA-N 2 2 366.412 0.647 10 0 FCAELP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC000376717960 489783219 /nfs/dbraw/zinc/78/32/19/489783219.db2.gz MUXGQFXNJFGFKT-HUUCEWRRSA-N 2 2 358.446 0.864 10 0 FCAELP C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC000376717960 489783222 /nfs/dbraw/zinc/78/32/22/489783222.db2.gz MUXGQFXNJFGFKT-HUUCEWRRSA-N 2 2 358.446 0.864 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000418905230 489784179 /nfs/dbraw/zinc/78/41/79/489784179.db2.gz JTVNBUFEKPGTNC-ZIAGYGMSSA-N 2 2 354.401 0.680 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000418905230 489784184 /nfs/dbraw/zinc/78/41/84/489784184.db2.gz JTVNBUFEKPGTNC-ZIAGYGMSSA-N 2 2 354.401 0.680 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)cc1 ZINC000418906248 489784376 /nfs/dbraw/zinc/78/43/76/489784376.db2.gz KSYFSNVZMVQYJI-QLFBSQMISA-N 2 2 350.850 0.680 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)cc1 ZINC000418906248 489784379 /nfs/dbraw/zinc/78/43/79/489784379.db2.gz KSYFSNVZMVQYJI-QLFBSQMISA-N 2 2 350.850 0.680 10 0 FCAELP CC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418904707 489784512 /nfs/dbraw/zinc/78/45/12/489784512.db2.gz JGDUMVHQTKTPAQ-UONOGXRCSA-N 2 2 356.829 0.806 10 0 FCAELP CC[N@H+]1CC[C@H](NC(=O)C(=O)NCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418904707 489784517 /nfs/dbraw/zinc/78/45/17/489784517.db2.gz JGDUMVHQTKTPAQ-UONOGXRCSA-N 2 2 356.829 0.806 10 0 FCAELP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H]1CS(N)(=O)=O)c1ccccc1 ZINC000475138232 489807082 /nfs/dbraw/zinc/80/70/82/489807082.db2.gz UTQLYZIMQLNESX-HOTGVXAUSA-N 2 2 368.503 0.158 10 0 FCAELP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H]1CS(N)(=O)=O)c1ccccc1 ZINC000475138232 489807087 /nfs/dbraw/zinc/80/70/87/489807087.db2.gz UTQLYZIMQLNESX-HOTGVXAUSA-N 2 2 368.503 0.158 10 0 FCAELP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000431773047 489818792 /nfs/dbraw/zinc/81/87/92/489818792.db2.gz NRBNJADZTPMWFD-IRXDYDNUSA-N 2 2 366.506 0.300 10 0 FCAELP C[N@H+]1CCCC[C@H]1CCC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000431773047 489818796 /nfs/dbraw/zinc/81/87/96/489818796.db2.gz NRBNJADZTPMWFD-IRXDYDNUSA-N 2 2 366.506 0.300 10 0 FCAELP Cc1cc(Br)cn2cc(CNC(=O)C(=O)NCCC[NH3+])[nH+]c12 ZINC000419043587 489832335 /nfs/dbraw/zinc/83/23/35/489832335.db2.gz NZRRMFTUSAXLHX-UHFFFAOYSA-N 2 2 368.235 0.486 10 0 FCAELP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000419073730 489846597 /nfs/dbraw/zinc/84/65/97/489846597.db2.gz LERXVBJEXRHRAB-KCXAZCMYSA-N 2 2 373.432 0.879 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420068324 489902734 /nfs/dbraw/zinc/90/27/34/489902734.db2.gz TUWSIVNWORPLLB-CVEARBPZSA-N 2 2 359.474 0.672 10 0 FCAELP [NH3+]C[C@H](NC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)C1CCCC1 ZINC000420078340 489904094 /nfs/dbraw/zinc/90/40/94/489904094.db2.gz ZDTPCPVIYSPXHG-SJORKVTESA-N 2 2 366.506 0.333 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)[C@H]1c1ccccc1 ZINC000564066553 491286325 /nfs/dbraw/zinc/28/63/25/491286325.db2.gz LKSIVNCWTPLWQY-XYJFISCASA-N 2 2 367.453 0.876 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)[C@H]1c1ccccc1 ZINC000564066553 491286326 /nfs/dbraw/zinc/28/63/26/491286326.db2.gz LKSIVNCWTPLWQY-XYJFISCASA-N 2 2 367.453 0.876 10 0 FCAELP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000420103320 489912827 /nfs/dbraw/zinc/91/28/27/489912827.db2.gz PGVDJLGPMHBQPQ-WMZOPIPTSA-N 2 2 358.486 0.753 10 0 FCAELP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000420110932 489915467 /nfs/dbraw/zinc/91/54/67/489915467.db2.gz ZVZLOLHKTFRADC-ZFWWWQNUSA-N 2 2 350.488 0.507 10 0 FCAELP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000477057525 489935999 /nfs/dbraw/zinc/93/59/99/489935999.db2.gz NVOBFMJXMUHTQI-SJORKVTESA-N 2 2 368.522 0.546 10 0 FCAELP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000477080188 489940058 /nfs/dbraw/zinc/94/00/58/489940058.db2.gz HAGDQLSHZBUPLB-INIZCTEOSA-N 2 2 361.490 0.885 10 0 FCAELP C[C@@H](O)C[N@@H+]1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)[C@@H](C)C1 ZINC000377688948 489942506 /nfs/dbraw/zinc/94/25/06/489942506.db2.gz XBQGHFQYNCRYIA-JKSUJKDBSA-N 2 2 363.506 0.546 10 0 FCAELP C[C@@H](O)C[N@H+]1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)[C@@H](C)C1 ZINC000377688948 489942510 /nfs/dbraw/zinc/94/25/10/489942510.db2.gz XBQGHFQYNCRYIA-JKSUJKDBSA-N 2 2 363.506 0.546 10 0 FCAELP C[C@H](O)C[N@@H+]1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)[C@H](C)C1 ZINC000377688945 489942671 /nfs/dbraw/zinc/94/26/71/489942671.db2.gz XBQGHFQYNCRYIA-CVEARBPZSA-N 2 2 363.506 0.546 10 0 FCAELP C[C@H](O)C[N@H+]1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)[C@H](C)C1 ZINC000377688945 489942675 /nfs/dbraw/zinc/94/26/75/489942675.db2.gz XBQGHFQYNCRYIA-CVEARBPZSA-N 2 2 363.506 0.546 10 0 FCAELP CCC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000477616053 489977395 /nfs/dbraw/zinc/97/73/95/489977395.db2.gz NAIOZPQOQCVPIA-INIZCTEOSA-N 2 2 361.490 0.974 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000420871389 490028013 /nfs/dbraw/zinc/02/80/13/490028013.db2.gz WBCJTZODEVBHFU-KRWDZBQOSA-N 2 2 357.458 0.368 10 0 FCAELP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000421658555 490095626 /nfs/dbraw/zinc/09/56/26/490095626.db2.gz XAKOIYDEGHNUSP-IYBDPMFKSA-N 2 2 363.506 0.953 10 0 FCAELP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000421658555 490095629 /nfs/dbraw/zinc/09/56/29/490095629.db2.gz XAKOIYDEGHNUSP-IYBDPMFKSA-N 2 2 363.506 0.953 10 0 FCAELP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000520230261 490118676 /nfs/dbraw/zinc/11/86/76/490118676.db2.gz IXQSBIHYHUOWRH-ROUUACIJSA-N 2 2 365.474 0.821 10 0 FCAELP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1 ZINC000520230261 490118682 /nfs/dbraw/zinc/11/86/82/490118682.db2.gz IXQSBIHYHUOWRH-ROUUACIJSA-N 2 2 365.474 0.821 10 0 FCAELP C[C@@H](C(=O)N1CC[NH+](C2CC2)CC1)[C@@H](C)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000479928872 490139816 /nfs/dbraw/zinc/13/98/16/490139816.db2.gz GOKXPGAGMPWZGL-HZPDHXFCSA-N 2 2 362.518 0.872 10 0 FCAELP CNC(=O)CCCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000465714591 490140341 /nfs/dbraw/zinc/14/03/41/490140341.db2.gz DZFKCORVXIOELI-UHFFFAOYSA-N 2 2 353.511 0.762 10 0 FCAELP O=C(NCC[NH+]1CCSCC1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000465922173 490153401 /nfs/dbraw/zinc/15/34/01/490153401.db2.gz QZTSKVBCGGEQFQ-INIZCTEOSA-N 2 2 356.536 0.932 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)C1=O ZINC000556255181 491306059 /nfs/dbraw/zinc/30/60/59/491306059.db2.gz YRGSILYIJKBTGC-KKUMJFAQSA-N 2 2 368.503 0.857 10 0 FCAELP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000556253817 491306199 /nfs/dbraw/zinc/30/61/99/491306199.db2.gz RLRWPOSQLUTELK-UHFFFAOYSA-N 2 2 373.501 0.967 10 0 FCAELP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000422256507 490210094 /nfs/dbraw/zinc/21/00/94/490210094.db2.gz GBNSCKLMWYVHSU-GJZGRUSLSA-N 2 2 363.506 0.952 10 0 FCAELP CN(C)c1nc(N2CC[NH+](C[C@@H](O)COCc3ccco3)CC2)cc[nH+]1 ZINC000533394931 490226814 /nfs/dbraw/zinc/22/68/14/490226814.db2.gz AQRWLDWIZKWWOT-OAHLLOKOSA-N 2 2 361.446 0.835 10 0 FCAELP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000556310775 491308983 /nfs/dbraw/zinc/30/89/83/491308983.db2.gz ASMKFXLMFPRNMZ-HOTGVXAUSA-N 2 2 363.462 0.101 10 0 FCAELP O=C(NCc1ccc2c[nH+]cn2c1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000422361227 490277557 /nfs/dbraw/zinc/27/75/57/490277557.db2.gz GOOXKUUMVQQANT-OAHLLOKOSA-N 2 2 364.409 0.741 10 0 FCAELP CC1(C)COCC[N@@H+]1CCNC(=O)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000422475124 490344592 /nfs/dbraw/zinc/34/45/92/490344592.db2.gz RLAAKCZIZHABFK-UHFFFAOYSA-N 2 2 359.430 0.178 10 0 FCAELP CC1(C)COCC[N@H+]1CCNC(=O)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000422475124 490344595 /nfs/dbraw/zinc/34/45/95/490344595.db2.gz RLAAKCZIZHABFK-UHFFFAOYSA-N 2 2 359.430 0.178 10 0 FCAELP CCC[C@@H]1CN(C(=O)C(=O)NCCc2cn(C)c[nH+]2)CC[N@@H+]1CCOC ZINC000422479955 490347546 /nfs/dbraw/zinc/34/75/46/490347546.db2.gz SUBOBBPYHSHPFN-MRXNPFEDSA-N 2 2 365.478 0.038 10 0 FCAELP CCC[C@@H]1CN(C(=O)C(=O)NCCc2cn(C)c[nH+]2)CC[N@H+]1CCOC ZINC000422479955 490347552 /nfs/dbraw/zinc/34/75/52/490347552.db2.gz SUBOBBPYHSHPFN-MRXNPFEDSA-N 2 2 365.478 0.038 10 0 FCAELP O=C(C[NH+]1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1)N1CCOCC1 ZINC000498850387 490353730 /nfs/dbraw/zinc/35/37/30/490353730.db2.gz NTCGCMAUBVNZAI-UHFFFAOYSA-N 2 2 374.489 0.448 10 0 FCAELP O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)Cn2cc[nH+]c2)c1 ZINC000564640098 491317559 /nfs/dbraw/zinc/31/75/59/491317559.db2.gz XMRHJSGPXHTKCB-UHFFFAOYSA-N 2 2 371.441 0.860 10 0 FCAELP OCCNc1nc(NC2CC[NH+](C[C@H]3CCOC3)CC2)[nH+]c2ccccc21 ZINC000522905839 490417661 /nfs/dbraw/zinc/41/76/61/490417661.db2.gz WYECOKVFFDBASY-OAHLLOKOSA-N 2 2 371.485 0.791 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCO[C@H](C3CCC3)C2)C1 ZINC000411863008 490487017 /nfs/dbraw/zinc/48/70/17/490487017.db2.gz PZIXJBDQPCRUQW-MSOLQXFVSA-N 2 2 353.507 0.960 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCO[C@H](C3CCC3)C2)C1 ZINC000411863008 490487022 /nfs/dbraw/zinc/48/70/22/490487022.db2.gz PZIXJBDQPCRUQW-MSOLQXFVSA-N 2 2 353.507 0.960 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCO[C@H](C3CCC3)C2)C1 ZINC000411863008 490487026 /nfs/dbraw/zinc/48/70/26/490487026.db2.gz PZIXJBDQPCRUQW-MSOLQXFVSA-N 2 2 353.507 0.960 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCO[C@H](C3CCC3)C2)C1 ZINC000411863008 490487029 /nfs/dbraw/zinc/48/70/29/490487029.db2.gz PZIXJBDQPCRUQW-MSOLQXFVSA-N 2 2 353.507 0.960 10 0 FCAELP COc1c[nH+]ccc1N1CCN(C(=O)C[N@H+](C)CC(=O)NC(C)C)CC1 ZINC000510039431 490487546 /nfs/dbraw/zinc/48/75/46/490487546.db2.gz FSFSPJLMODDHDM-UHFFFAOYSA-N 2 2 363.462 0.195 10 0 FCAELP COc1c[nH+]ccc1N1CCN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)CC1 ZINC000510039431 490487554 /nfs/dbraw/zinc/48/75/54/490487554.db2.gz FSFSPJLMODDHDM-UHFFFAOYSA-N 2 2 363.462 0.195 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+]2CCC(O)(C(N)=O)CC2)CC1 ZINC000450924787 490499684 /nfs/dbraw/zinc/49/96/84/490499684.db2.gz OQQZHPUYZBFQQA-INIZCTEOSA-N 2 2 374.485 0.204 10 0 FCAELP CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422939555 490503189 /nfs/dbraw/zinc/50/31/89/490503189.db2.gz MBWGRDKXVSMOKZ-IRXDYDNUSA-N 2 2 353.488 0.794 10 0 FCAELP CN(CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)S(=O)(=O)c1cccs1 ZINC000422993509 490512973 /nfs/dbraw/zinc/51/29/73/490512973.db2.gz FUHRGNNTTSNRKD-HIFRSBDPSA-N 2 2 359.517 0.725 10 0 FCAELP c1cc(C[NH+]2C[C@@H]3COC[C@H](C2)O3)cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000548939271 490555105 /nfs/dbraw/zinc/55/51/05/490555105.db2.gz JOPPCDNFPNLTEH-FGYAAKKASA-N 2 2 360.454 0.886 10 0 FCAELP c1cc(C[NH+]2C[C@@H]3COC[C@H](C2)O3)cc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000548939271 490555110 /nfs/dbraw/zinc/55/51/10/490555110.db2.gz JOPPCDNFPNLTEH-FGYAAKKASA-N 2 2 360.454 0.886 10 0 FCAELP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000524787502 490560355 /nfs/dbraw/zinc/56/03/55/490560355.db2.gz NZQDYTXMTQGMMC-DLBZAZTESA-N 2 2 354.495 0.603 10 0 FCAELP C[C@H]1COCC[N@H+]1CCNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000524787502 490560357 /nfs/dbraw/zinc/56/03/57/490560357.db2.gz NZQDYTXMTQGMMC-DLBZAZTESA-N 2 2 354.495 0.603 10 0 FCAELP CN(C)c1[nH+]cc(CNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)n1C ZINC000511200363 490570600 /nfs/dbraw/zinc/57/06/00/490570600.db2.gz OLKNNPBZEIADDM-UHFFFAOYSA-N 2 2 357.462 0.563 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCOC[C@@H]2C2CCC2)C1 ZINC000564929079 491337895 /nfs/dbraw/zinc/33/78/95/491337895.db2.gz QRLQHJMCLTVFLV-QZTJIDSGSA-N 2 2 353.507 0.960 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCOC[C@@H]2C2CCC2)C1 ZINC000564929079 491337898 /nfs/dbraw/zinc/33/78/98/491337898.db2.gz QRLQHJMCLTVFLV-QZTJIDSGSA-N 2 2 353.507 0.960 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCOC[C@@H]2C2CCC2)C1 ZINC000564929079 491337901 /nfs/dbraw/zinc/33/79/01/491337901.db2.gz QRLQHJMCLTVFLV-QZTJIDSGSA-N 2 2 353.507 0.960 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCOC[C@@H]2C2CCC2)C1 ZINC000564929079 491337904 /nfs/dbraw/zinc/33/79/04/491337904.db2.gz QRLQHJMCLTVFLV-QZTJIDSGSA-N 2 2 353.507 0.960 10 0 FCAELP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000525810057 490636806 /nfs/dbraw/zinc/63/68/06/490636806.db2.gz WXGNICURZRUSPD-IAGOWNOFSA-N 2 2 353.511 0.129 10 0 FCAELP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000525810057 490636807 /nfs/dbraw/zinc/63/68/07/490636807.db2.gz WXGNICURZRUSPD-IAGOWNOFSA-N 2 2 353.511 0.129 10 0 FCAELP CN(C)CCS(=O)(=O)c1ccccc1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000502027819 490669008 /nfs/dbraw/zinc/66/90/08/490669008.db2.gz AYISUUJGCOWBEK-AWEZNQCLSA-N 2 2 353.488 0.846 10 0 FCAELP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000502027819 490669015 /nfs/dbraw/zinc/66/90/15/490669015.db2.gz AYISUUJGCOWBEK-AWEZNQCLSA-N 2 2 353.488 0.846 10 0 FCAELP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000502027819 490669019 /nfs/dbraw/zinc/66/90/19/490669019.db2.gz AYISUUJGCOWBEK-AWEZNQCLSA-N 2 2 353.488 0.846 10 0 FCAELP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000502061206 490672862 /nfs/dbraw/zinc/67/28/62/490672862.db2.gz MMRGIQKSNBJTCQ-HNNXBMFYSA-N 2 2 354.495 0.062 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)N[C@H](C)CN3CC[NH+](C)CC3)ccc2[nH+]1 ZINC000539204409 490768835 /nfs/dbraw/zinc/76/88/35/490768835.db2.gz ROZJJESIKOVCMO-CYBMUJFWSA-N 2 2 358.446 0.333 10 0 FCAELP COCC(COC)[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000528295817 490785815 /nfs/dbraw/zinc/78/58/15/490785815.db2.gz OCZKRIBFRVRIDD-KRWDZBQOSA-N 2 2 368.522 0.992 10 0 FCAELP COCC(COC)[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000528295817 490785818 /nfs/dbraw/zinc/78/58/18/490785818.db2.gz OCZKRIBFRVRIDD-KRWDZBQOSA-N 2 2 368.522 0.992 10 0 FCAELP COCC(COC)[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000528295818 490786147 /nfs/dbraw/zinc/78/61/47/490786147.db2.gz OCZKRIBFRVRIDD-QGZVFWFLSA-N 2 2 368.522 0.992 10 0 FCAELP COCC(COC)[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000528295818 490786150 /nfs/dbraw/zinc/78/61/50/490786150.db2.gz OCZKRIBFRVRIDD-QGZVFWFLSA-N 2 2 368.522 0.992 10 0 FCAELP [NH3+]CC(F)(F)CC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000515664424 490835144 /nfs/dbraw/zinc/83/51/44/490835144.db2.gz AIDXAEXDBIJVAY-UHFFFAOYSA-N 2 2 357.401 0.998 10 0 FCAELP C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)c2[nH+]ccn21 ZINC000529330194 490853527 /nfs/dbraw/zinc/85/35/27/490853527.db2.gz JZVAEYGGJXNXGX-KGLIPLIRSA-N 2 2 361.450 0.241 10 0 FCAELP NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000516636862 490871758 /nfs/dbraw/zinc/87/17/58/490871758.db2.gz YNXWFLUKKMEYRN-BBRMVZONSA-N 2 2 366.487 0.737 10 0 FCAELP NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000516636862 490871760 /nfs/dbraw/zinc/87/17/60/490871760.db2.gz YNXWFLUKKMEYRN-BBRMVZONSA-N 2 2 366.487 0.737 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+][C@@H](Cc2ccccc2)C(N)=O)C1=O ZINC000541799730 490872297 /nfs/dbraw/zinc/87/22/97/490872297.db2.gz LVQZLCVHQPISGJ-HOTGVXAUSA-N 2 2 355.442 0.597 10 0 FCAELP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)CC1 ZINC000516862323 490881360 /nfs/dbraw/zinc/88/13/60/490881360.db2.gz VWAZTPZYLCULQL-CYBMUJFWSA-N 2 2 372.395 0.446 10 0 FCAELP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000542087093 490885084 /nfs/dbraw/zinc/88/50/84/490885084.db2.gz CRFGVFBRIKAUGP-IKGGRYGDSA-N 2 2 351.491 0.951 10 0 FCAELP CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CC1 ZINC000542105926 490885738 /nfs/dbraw/zinc/88/57/38/490885738.db2.gz XRSSRULVAHYYEL-OAHLLOKOSA-N 2 2 362.478 0.695 10 0 FCAELP C[C@H](CC[NH+](C)C)NC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000542121840 490886234 /nfs/dbraw/zinc/88/62/34/490886234.db2.gz DDSQVNJREDPBJE-KGLIPLIRSA-N 2 2 350.467 0.551 10 0 FCAELP O=C(N1CC[NH2+]CC1)N1CC[NH+](CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000530225514 490893850 /nfs/dbraw/zinc/89/38/50/490893850.db2.gz ZZSMPVRMLPQKQV-UHFFFAOYSA-N 2 2 370.457 0.521 10 0 FCAELP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530228691 490893975 /nfs/dbraw/zinc/89/39/75/490893975.db2.gz YIQSSQWHNGEYQF-BBWFWOEESA-N 2 2 365.522 0.522 10 0 FCAELP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530228693 490894180 /nfs/dbraw/zinc/89/41/80/490894180.db2.gz YIQSSQWHNGEYQF-IXDOHACOSA-N 2 2 365.522 0.522 10 0 FCAELP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530228402 490894211 /nfs/dbraw/zinc/89/42/11/490894211.db2.gz SJKXMLGSJRIFAE-IAGOWNOFSA-N 2 2 365.522 0.809 10 0 FCAELP COc1cc(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc(OC)c1O ZINC000530242048 490895007 /nfs/dbraw/zinc/89/50/07/490895007.db2.gz JLTRUQSQKKGUPH-UHFFFAOYSA-N 2 2 364.446 0.552 10 0 FCAELP COCCOc1ccc(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000530242675 490895164 /nfs/dbraw/zinc/89/51/64/490895164.db2.gz OJHFURJHJCLLAX-UHFFFAOYSA-N 2 2 362.474 0.855 10 0 FCAELP COCCNC(=O)CN1CC[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000542467333 490898268 /nfs/dbraw/zinc/89/82/68/490898268.db2.gz JHWLTJYBZJIDEN-UHFFFAOYSA-N 2 2 372.473 0.456 10 0 FCAELP COCC[N@@H+]1CC[C@@H]([NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000542468353 490898333 /nfs/dbraw/zinc/89/83/33/490898333.db2.gz QHUJLTMUVTXQRM-OAHLLOKOSA-N 2 2 352.479 0.942 10 0 FCAELP COCC[N@H+]1CC[C@@H]([NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000542468353 490898334 /nfs/dbraw/zinc/89/83/34/490898334.db2.gz QHUJLTMUVTXQRM-OAHLLOKOSA-N 2 2 352.479 0.942 10 0 FCAELP C[C@H]1CN(C(=O)C2([NH+]3CCOCC3)CCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000543014046 490919399 /nfs/dbraw/zinc/91/93/99/490919399.db2.gz LLQITJBFQDJAIA-ZWKOTPCHSA-N 2 2 364.534 0.726 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)C[N@H+](C)[C@H]2CCSC2)C1=O ZINC000543103935 490922361 /nfs/dbraw/zinc/92/23/61/490922361.db2.gz YBLCNAHZLQFXMH-KBPBESRZSA-N 2 2 365.503 0.465 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)C[N@@H+](C)[C@H]2CCSC2)C1=O ZINC000543103935 490922363 /nfs/dbraw/zinc/92/23/63/490922363.db2.gz YBLCNAHZLQFXMH-KBPBESRZSA-N 2 2 365.503 0.465 10 0 FCAELP CC[NH+]1CCN(CC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000530812285 490926216 /nfs/dbraw/zinc/92/62/16/490926216.db2.gz IYPJPCMUCIRIAB-UHFFFAOYSA-N 2 2 359.518 0.562 10 0 FCAELP CC[N@H+](CCNC(=O)C(=O)N1CC[NH+](C2CC2)CC1)CCC(F)(F)F ZINC000518780652 490951460 /nfs/dbraw/zinc/95/14/60/490951460.db2.gz SPZYXKGPIGEJCK-UHFFFAOYSA-N 2 2 364.412 0.684 10 0 FCAELP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH+](C2CC2)CC1)CCC(F)(F)F ZINC000518780652 490951462 /nfs/dbraw/zinc/95/14/62/490951462.db2.gz SPZYXKGPIGEJCK-UHFFFAOYSA-N 2 2 364.412 0.684 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)NC[C@H]2CCC[N@H+](C)C2)C1=O ZINC000543977904 490953661 /nfs/dbraw/zinc/95/36/61/490953661.db2.gz RMYYVAHKDCLHTQ-CABCVRRESA-N 2 2 362.478 0.552 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)NC[C@H]2CCC[N@@H+](C)C2)C1=O ZINC000543977904 490953662 /nfs/dbraw/zinc/95/36/62/490953662.db2.gz RMYYVAHKDCLHTQ-CABCVRRESA-N 2 2 362.478 0.552 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+][C@H](Cc2ccc(F)cc2)C(N)=O)C1=O ZINC000544071777 490956610 /nfs/dbraw/zinc/95/66/10/490956610.db2.gz WXSPFWSBYISRQD-JKSUJKDBSA-N 2 2 373.432 0.736 10 0 FCAELP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2nccn2CCc2ccccc2)CC1 ZINC000518964696 490956927 /nfs/dbraw/zinc/95/69/27/490956927.db2.gz CYRRFXGURCZNMB-IBGZPJMESA-N 2 2 357.502 0.824 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000572384819 491366561 /nfs/dbraw/zinc/36/65/61/491366561.db2.gz PPLQZFIQQDFAML-MRXNPFEDSA-N 2 2 366.506 0.158 10 0 FCAELP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000544527822 490971063 /nfs/dbraw/zinc/97/10/63/490971063.db2.gz BAPLTCIPORPKTH-RLLQIKCJSA-N 2 2 372.513 0.782 10 0 FCAELP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000544527822 490971066 /nfs/dbraw/zinc/97/10/66/490971066.db2.gz BAPLTCIPORPKTH-RLLQIKCJSA-N 2 2 372.513 0.782 10 0 FCAELP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCN2CCOC[C@@H]2C1 ZINC000544527822 490971068 /nfs/dbraw/zinc/97/10/68/490971068.db2.gz BAPLTCIPORPKTH-RLLQIKCJSA-N 2 2 372.513 0.782 10 0 FCAELP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCN2CCOC[C@@H]2C1 ZINC000544527822 490971070 /nfs/dbraw/zinc/97/10/70/490971070.db2.gz BAPLTCIPORPKTH-RLLQIKCJSA-N 2 2 372.513 0.782 10 0 FCAELP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000544674906 490975621 /nfs/dbraw/zinc/97/56/21/490975621.db2.gz NEIBKBJJSIUPGQ-KRWDZBQOSA-N 2 2 359.474 0.527 10 0 FCAELP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000544674906 490975623 /nfs/dbraw/zinc/97/56/23/490975623.db2.gz NEIBKBJJSIUPGQ-KRWDZBQOSA-N 2 2 359.474 0.527 10 0 FCAELP Cc1nnc([C@@H](C)[NH2+]CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)s1 ZINC000544759693 490979632 /nfs/dbraw/zinc/97/96/32/490979632.db2.gz PFMZDGXVCXXJOI-OCCSQVGLSA-N 2 2 355.508 0.970 10 0 FCAELP Cc1nnc([C@@H](C)[NH2+]CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)s1 ZINC000544759693 490979634 /nfs/dbraw/zinc/97/96/34/490979634.db2.gz PFMZDGXVCXXJOI-OCCSQVGLSA-N 2 2 355.508 0.970 10 0 FCAELP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000544822620 490983148 /nfs/dbraw/zinc/98/31/48/490983148.db2.gz WYJKFSQPAMJSLQ-CQSZACIVSA-N 2 2 356.430 0.802 10 0 FCAELP OC1(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)Cc2ccccc2C1 ZINC000532230393 490989717 /nfs/dbraw/zinc/98/97/17/490989717.db2.gz LEZWHFAQQZVWQS-UHFFFAOYSA-N 2 2 359.514 0.903 10 0 FCAELP OC1(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)Cc2ccccc2C1 ZINC000532230393 490989718 /nfs/dbraw/zinc/98/97/18/490989718.db2.gz LEZWHFAQQZVWQS-UHFFFAOYSA-N 2 2 359.514 0.903 10 0 FCAELP O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000569599114 491173512 /nfs/dbraw/zinc/17/35/12/491173512.db2.gz LQUYRRCFCBBBSO-HZPDHXFCSA-N 2 2 362.478 0.357 10 0 FCAELP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000562765173 491187786 /nfs/dbraw/zinc/18/77/86/491187786.db2.gz KWIQAXFEQHHILD-OAHLLOKOSA-N 2 2 360.462 0.799 10 0 FCAELP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000562765173 491187790 /nfs/dbraw/zinc/18/77/90/491187790.db2.gz KWIQAXFEQHHILD-OAHLLOKOSA-N 2 2 360.462 0.799 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2)C1=O ZINC000565359290 491371569 /nfs/dbraw/zinc/37/15/69/491371569.db2.gz SPDMGMUHHYVPHG-NVXWUHKLSA-N 2 2 358.442 0.941 10 0 FCAELP Cc1cc(NC(=O)CC[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)no1 ZINC000572476891 491372682 /nfs/dbraw/zinc/37/26/82/491372682.db2.gz QLEMVJRURFEVQB-CYBMUJFWSA-N 2 2 360.418 0.826 10 0 FCAELP O=C(NCc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000572547229 491377618 /nfs/dbraw/zinc/37/76/18/491377618.db2.gz CLTYPQFNOLNYDS-VXGBXAGGSA-N 2 2 373.379 0.805 10 0 FCAELP O=C(NCc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000572547229 491377620 /nfs/dbraw/zinc/37/76/20/491377620.db2.gz CLTYPQFNOLNYDS-VXGBXAGGSA-N 2 2 373.379 0.805 10 0 FCAELP C[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1nc(Cc2ccccc2)no1 ZINC000572764403 491392158 /nfs/dbraw/zinc/39/21/58/491392158.db2.gz UBNXAYQLJCZRFF-WBVHZDCISA-N 2 2 359.474 0.919 10 0 FCAELP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000573662397 491446541 /nfs/dbraw/zinc/44/65/41/491446541.db2.gz DROZBYWYZZUDQT-MRXNPFEDSA-N 2 2 354.495 0.110 10 0 FCAELP Cn1cc[nH+]c1CN1CCN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000566732361 491463196 /nfs/dbraw/zinc/46/31/96/491463196.db2.gz GBEVQIHVUGLKQW-HXUWFJFHSA-N 2 2 353.470 0.996 10 0 FCAELP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCc2cn3ccccc3[nH+]2)CCO1 ZINC000668380795 493344797 /nfs/dbraw/zinc/34/47/97/493344797.db2.gz ISJIQMCSJPLNQT-MRXNPFEDSA-N 2 2 373.457 0.520 10 0 FCAELP CC(=O)N[C@@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000574069275 491472486 /nfs/dbraw/zinc/47/24/86/491472486.db2.gz HTFPIUGPNVDZRH-QGZVFWFLSA-N 2 2 365.522 0.857 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C1=O ZINC000574178678 491479347 /nfs/dbraw/zinc/47/93/47/491479347.db2.gz BMUXDVOXVSJGHN-ZNMIVQPWSA-N 2 2 362.478 0.728 10 0 FCAELP O=C(CN1CC[NH2+]C[C@@H]1C(F)F)N1CC[NH+](Cc2cccs2)CC1 ZINC000574210261 491481426 /nfs/dbraw/zinc/48/14/26/491481426.db2.gz QQWXEYFHOWEFDU-CQSZACIVSA-N 2 2 358.458 0.931 10 0 FCAELP CC[NH+](C)C[C@H](O)C[NH+]1CCN(C[C@@H](O)C[N@@H+](C)CC)[C@@H]2CCCC[C@H]21 ZINC000574337088 491489936 /nfs/dbraw/zinc/48/99/36/491489936.db2.gz MUCWXSXWECTMDQ-VNTMZGSJSA-N 3 2 370.582 0.540 10 0 FCAELP CC[NH+](C)C[C@H](O)C[NH+]1CCN(C[C@@H](O)C[N@H+](C)CC)[C@@H]2CCCC[C@H]21 ZINC000574337088 491489938 /nfs/dbraw/zinc/48/99/38/491489938.db2.gz MUCWXSXWECTMDQ-VNTMZGSJSA-N 3 2 370.582 0.540 10 0 FCAELP CC[NH+](C)C[C@H](O)CN1CC[N@H+](C[C@@H](O)C[NH+](C)CC)[C@@H]2CCCC[C@H]21 ZINC000574337088 491489940 /nfs/dbraw/zinc/48/99/40/491489940.db2.gz MUCWXSXWECTMDQ-VNTMZGSJSA-N 3 2 370.582 0.540 10 0 FCAELP CC[NH+](C)C[C@H](O)CN1CC[N@@H+](C[C@@H](O)C[NH+](C)CC)[C@@H]2CCCC[C@H]21 ZINC000574337088 491489941 /nfs/dbraw/zinc/48/99/41/491489941.db2.gz MUCWXSXWECTMDQ-VNTMZGSJSA-N 3 2 370.582 0.540 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000559765913 491498552 /nfs/dbraw/zinc/49/85/52/491498552.db2.gz JTIOKSLZOLFHBO-UHFFFAOYSA-N 2 2 359.474 0.897 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000559770227 491498583 /nfs/dbraw/zinc/49/85/83/491498583.db2.gz RNWMBMZGGFCJKR-HZPDHXFCSA-N 2 2 359.474 0.707 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000559770227 491498584 /nfs/dbraw/zinc/49/85/84/491498584.db2.gz RNWMBMZGGFCJKR-HZPDHXFCSA-N 2 2 359.474 0.707 10 0 FCAELP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000560023372 491515970 /nfs/dbraw/zinc/51/59/70/491515970.db2.gz ARLGLSFWFLQFDN-IAGOWNOFSA-N 2 2 371.485 0.910 10 0 FCAELP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000560023372 491515971 /nfs/dbraw/zinc/51/59/71/491515971.db2.gz ARLGLSFWFLQFDN-IAGOWNOFSA-N 2 2 371.485 0.910 10 0 FCAELP O=C(CCN1CC[NH2+]C[C@@H]1C(F)F)N1CCN(c2cccc[nH+]2)CC1 ZINC000575806944 491562043 /nfs/dbraw/zinc/56/20/43/491562043.db2.gz VXAABPPMPBCJTK-CQSZACIVSA-N 2 2 353.417 0.659 10 0 FCAELP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000560902829 491563766 /nfs/dbraw/zinc/56/37/66/491563766.db2.gz UGZREVAUJNRZSA-UHFFFAOYSA-N 2 2 362.478 0.282 10 0 FCAELP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000560902829 491563768 /nfs/dbraw/zinc/56/37/68/491563768.db2.gz UGZREVAUJNRZSA-UHFFFAOYSA-N 2 2 362.478 0.282 10 0 FCAELP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000561243675 491588816 /nfs/dbraw/zinc/58/88/16/491588816.db2.gz GDYRLIQXQYWHSK-UHFFFAOYSA-N 2 2 361.368 0.616 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)NCCN2CC[NH2+]CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000577725833 491646113 /nfs/dbraw/zinc/64/61/13/491646113.db2.gz WABUIUBDJVUMBH-DLBZAZTESA-N 2 2 367.444 0.914 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)NCCN2CC[NH2+]CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000577725833 491646115 /nfs/dbraw/zinc/64/61/15/491646115.db2.gz WABUIUBDJVUMBH-DLBZAZTESA-N 2 2 367.444 0.914 10 0 FCAELP Cn1nnc2c1C[C@@H](C(=O)NCC1([NH+]3CCCCC3)CC[NH+](C)CC1)CC2 ZINC000579169558 491692334 /nfs/dbraw/zinc/69/23/34/491692334.db2.gz DPRDBMGVFYFYBF-INIZCTEOSA-N 2 2 374.533 0.987 10 0 FCAELP COc1cccc([C@H]2[C@H](NC(=O)CN3CC[NH2+]CC3=O)CC[N@@H+]2C2CC2)c1 ZINC000579227094 491693416 /nfs/dbraw/zinc/69/34/16/491693416.db2.gz LXUYYKOGVQMUQQ-XLIONFOSSA-N 2 2 372.469 0.521 10 0 FCAELP COc1cccc([C@H]2[C@H](NC(=O)CN3CC[NH2+]CC3=O)CC[N@H+]2C2CC2)c1 ZINC000579227094 491693417 /nfs/dbraw/zinc/69/34/17/491693417.db2.gz LXUYYKOGVQMUQQ-XLIONFOSSA-N 2 2 372.469 0.521 10 0 FCAELP CN(C(=O)C1(CCF)CC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000579539290 491699958 /nfs/dbraw/zinc/69/99/58/491699958.db2.gz GNMRPYWKSUTAIK-UHFFFAOYSA-N 2 2 368.497 0.823 10 0 FCAELP Cc1nc(NCc2cccc(C(=O)N3CC[N@@H+](CCO)C[C@@H]3C)c2)cc[nH+]1 ZINC000584574313 491707957 /nfs/dbraw/zinc/70/79/57/491707957.db2.gz GELJEVBRHQYYAJ-HNNXBMFYSA-N 2 2 369.469 1.536 10 0 FCAELP Cc1nc(NCc2cccc(C(=O)N3CC[N@H+](CCO)C[C@@H]3C)c2)cc[nH+]1 ZINC000584574313 491707958 /nfs/dbraw/zinc/70/79/58/491707958.db2.gz GELJEVBRHQYYAJ-HNNXBMFYSA-N 2 2 369.469 1.536 10 0 FCAELP O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000580306599 491725040 /nfs/dbraw/zinc/72/50/40/491725040.db2.gz KMJMBMKLPYMFBC-ROUUACIJSA-N 2 2 362.474 0.103 10 0 FCAELP O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000580306599 491725041 /nfs/dbraw/zinc/72/50/41/491725041.db2.gz KMJMBMKLPYMFBC-ROUUACIJSA-N 2 2 362.474 0.103 10 0 FCAELP O=S1(=O)C[C@H](C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)Oc2ccccc21 ZINC000580431972 491731041 /nfs/dbraw/zinc/73/10/41/491731041.db2.gz CKTLOGKCZABHFE-JLJPHGGASA-N 2 2 352.456 0.578 10 0 FCAELP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000580794740 491746379 /nfs/dbraw/zinc/74/63/79/491746379.db2.gz QUQJHOABYMUNHA-QGZVFWFLSA-N 2 2 368.522 0.548 10 0 FCAELP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000580794740 491746381 /nfs/dbraw/zinc/74/63/81/491746381.db2.gz QUQJHOABYMUNHA-QGZVFWFLSA-N 2 2 368.522 0.548 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000580878901 491750015 /nfs/dbraw/zinc/75/00/15/491750015.db2.gz APRDQSJARLYWPI-QGZVFWFLSA-N 2 2 371.485 0.735 10 0 FCAELP CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000581145548 491761520 /nfs/dbraw/zinc/76/15/20/491761520.db2.gz JKQWHBXCLWHPSP-KRWDZBQOSA-N 2 2 366.506 0.300 10 0 FCAELP C[C@H]1CC[N@H+](CC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000582913902 491831865 /nfs/dbraw/zinc/83/18/65/491831865.db2.gz XZWLFKCTJUBEGV-INIZCTEOSA-N 2 2 359.474 0.578 10 0 FCAELP C[C@H]1CC[N@@H+](CC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000582913902 491831867 /nfs/dbraw/zinc/83/18/67/491831867.db2.gz XZWLFKCTJUBEGV-INIZCTEOSA-N 2 2 359.474 0.578 10 0 FCAELP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H]1CCCN(Cc3[nH+]ccn3C)C1=O)CC2 ZINC000583268293 491841376 /nfs/dbraw/zinc/84/13/76/491841376.db2.gz HNKXVLRPUPRGOE-HOCLYGCPSA-N 2 2 370.457 0.795 10 0 FCAELP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000584054036 491857540 /nfs/dbraw/zinc/85/75/40/491857540.db2.gz CLFBQYWQZNYRHE-BHYGNILZSA-N 2 2 368.428 0.926 10 0 FCAELP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000584107213 491858658 /nfs/dbraw/zinc/85/86/58/491858658.db2.gz VBJVEABXSSATLF-JYJNAYRXSA-N 2 2 353.488 0.806 10 0 FCAELP CC[NH+]1CCC(CNC(=O)C(=O)N2CCN(c3c[nH+]ccc3C)CC2)CC1 ZINC000584128767 491859255 /nfs/dbraw/zinc/85/92/55/491859255.db2.gz WFSJKPVJMJDIIZ-UHFFFAOYSA-N 2 2 373.501 0.887 10 0 FCAELP C[NH+]1CCC2(CC1)C[N@@H+]([C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O)CCO2 ZINC000595559874 491942775 /nfs/dbraw/zinc/94/27/75/491942775.db2.gz VTXVKACVCHONJK-OAHLLOKOSA-N 2 2 367.490 0.726 10 0 FCAELP C[NH+]1CCC2(CC1)C[N@H+]([C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O)CCO2 ZINC000595559874 491942777 /nfs/dbraw/zinc/94/27/77/491942777.db2.gz VTXVKACVCHONJK-OAHLLOKOSA-N 2 2 367.490 0.726 10 0 FCAELP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O)C1CC1 ZINC000601969443 491955955 /nfs/dbraw/zinc/95/59/55/491955955.db2.gz RGCKBOXWFSUVBY-HZPDHXFCSA-N 2 2 369.506 0.754 10 0 FCAELP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O)C1CC1 ZINC000601969443 491955958 /nfs/dbraw/zinc/95/59/58/491955958.db2.gz RGCKBOXWFSUVBY-HZPDHXFCSA-N 2 2 369.506 0.754 10 0 FCAELP CCOC(=O)C1CCN(C(=O)C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000595904295 491960310 /nfs/dbraw/zinc/96/03/10/491960310.db2.gz CIKUBKUYFYFVQZ-QGZVFWFLSA-N 2 2 369.506 0.831 10 0 FCAELP CCOC(=O)C1CCN(C(=O)C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000595904295 491960312 /nfs/dbraw/zinc/96/03/12/491960312.db2.gz CIKUBKUYFYFVQZ-QGZVFWFLSA-N 2 2 369.506 0.831 10 0 FCAELP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000595947787 491964080 /nfs/dbraw/zinc/96/40/80/491964080.db2.gz HYCNTCMSGSOQSS-IAGOWNOFSA-N 2 2 362.474 0.199 10 0 FCAELP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000595947787 491964082 /nfs/dbraw/zinc/96/40/82/491964082.db2.gz HYCNTCMSGSOQSS-IAGOWNOFSA-N 2 2 362.474 0.199 10 0 FCAELP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000613997580 492008920 /nfs/dbraw/zinc/00/89/20/492008920.db2.gz YUCCVTXJXMUAEQ-IRXDYDNUSA-N 2 2 356.470 0.559 10 0 FCAELP O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000614414098 492029012 /nfs/dbraw/zinc/02/90/12/492029012.db2.gz UADKFSOHYWNEIG-MOPGFXCFSA-N 2 2 361.486 0.675 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC(=O)NCc3ccco3)C2)CC1 ZINC000604162357 492052034 /nfs/dbraw/zinc/05/20/34/492052034.db2.gz KZWNWKVTGPTVDL-AWEZNQCLSA-N 2 2 363.462 0.364 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC(=O)NCc3ccco3)C2)CC1 ZINC000604162357 492052037 /nfs/dbraw/zinc/05/20/37/492052037.db2.gz KZWNWKVTGPTVDL-AWEZNQCLSA-N 2 2 363.462 0.364 10 0 FCAELP CCC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000604209496 492054807 /nfs/dbraw/zinc/05/48/07/492054807.db2.gz OGNONFGKRCIJDQ-CVEARBPZSA-N 2 2 365.522 0.855 10 0 FCAELP CCC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000604209496 492054810 /nfs/dbraw/zinc/05/48/10/492054810.db2.gz OGNONFGKRCIJDQ-CVEARBPZSA-N 2 2 365.522 0.855 10 0 FCAELP CCOC(=O)C[C@H](O)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000599376049 492165534 /nfs/dbraw/zinc/16/55/34/492165534.db2.gz CMIOWUFKJFGTDB-PKOBYXMFSA-N 2 2 350.459 0.869 10 0 FCAELP CCOC(=O)C[C@H](O)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000599376049 492165535 /nfs/dbraw/zinc/16/55/35/492165535.db2.gz CMIOWUFKJFGTDB-PKOBYXMFSA-N 2 2 350.459 0.869 10 0 FCAELP CCOC(=O)C[C@H](O)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000599376049 492165537 /nfs/dbraw/zinc/16/55/37/492165537.db2.gz CMIOWUFKJFGTDB-PKOBYXMFSA-N 2 2 350.459 0.869 10 0 FCAELP CCOC(=O)C[C@H](O)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000599376049 492165538 /nfs/dbraw/zinc/16/55/38/492165538.db2.gz CMIOWUFKJFGTDB-PKOBYXMFSA-N 2 2 350.459 0.869 10 0 FCAELP CCn1nc2c(cc1=O)C[N@@H+](CC(=O)NC1CC[NH+](C3CC3)CC1)CC2 ZINC000608096772 492165775 /nfs/dbraw/zinc/16/57/75/492165775.db2.gz OWLBXFLWEKNNHZ-UHFFFAOYSA-N 2 2 359.474 0.364 10 0 FCAELP CCn1nc2c(cc1=O)C[N@H+](CC(=O)NC1CC[NH+](C3CC3)CC1)CC2 ZINC000608096772 492165776 /nfs/dbraw/zinc/16/57/76/492165776.db2.gz OWLBXFLWEKNNHZ-UHFFFAOYSA-N 2 2 359.474 0.364 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)CSc1nnc2ccccn21 ZINC000617764668 492190269 /nfs/dbraw/zinc/19/02/69/492190269.db2.gz BOSGTQWAKKAJSN-UHFFFAOYSA-N 2 2 350.492 0.821 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CSc1nnc2ccccn21 ZINC000617764668 492190270 /nfs/dbraw/zinc/19/02/70/492190270.db2.gz BOSGTQWAKKAJSN-UHFFFAOYSA-N 2 2 350.492 0.821 10 0 FCAELP C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767232 492190376 /nfs/dbraw/zinc/19/03/76/492190376.db2.gz LRXSPWRERNYAOI-AWEZNQCLSA-N 2 2 374.489 0.681 10 0 FCAELP C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767232 492190379 /nfs/dbraw/zinc/19/03/79/492190379.db2.gz LRXSPWRERNYAOI-AWEZNQCLSA-N 2 2 374.489 0.681 10 0 FCAELP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000618561241 492231671 /nfs/dbraw/zinc/23/16/71/492231671.db2.gz WBODFXDMMFVIMW-IRXDYDNUSA-N 2 2 365.522 0.809 10 0 FCAELP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000618561241 492231674 /nfs/dbraw/zinc/23/16/74/492231674.db2.gz WBODFXDMMFVIMW-IRXDYDNUSA-N 2 2 365.522 0.809 10 0 FCAELP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000647473855 492292680 /nfs/dbraw/zinc/29/26/80/492292680.db2.gz SOKAIQAEVNCQLV-HNNXBMFYSA-N 2 2 362.478 1.012 10 0 FCAELP O=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654349939 492293126 /nfs/dbraw/zinc/29/31/26/492293126.db2.gz TWIGBEGKWPJEBU-IPMKNSEASA-N 2 2 374.485 0.348 10 0 FCAELP O=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654349939 492293132 /nfs/dbraw/zinc/29/31/32/492293132.db2.gz TWIGBEGKWPJEBU-IPMKNSEASA-N 2 2 374.485 0.348 10 0 FCAELP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000654349939 492293139 /nfs/dbraw/zinc/29/31/39/492293139.db2.gz TWIGBEGKWPJEBU-IPMKNSEASA-N 2 2 374.485 0.348 10 0 FCAELP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000654349939 492293144 /nfs/dbraw/zinc/29/31/44/492293144.db2.gz TWIGBEGKWPJEBU-IPMKNSEASA-N 2 2 374.485 0.348 10 0 FCAELP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654431927 492301868 /nfs/dbraw/zinc/30/18/68/492301868.db2.gz CQIDHXGIUZOKKB-LUKYLMHMSA-N 2 2 355.527 0.419 10 0 FCAELP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654431927 492301870 /nfs/dbraw/zinc/30/18/70/492301870.db2.gz CQIDHXGIUZOKKB-LUKYLMHMSA-N 2 2 355.527 0.419 10 0 FCAELP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654431927 492301873 /nfs/dbraw/zinc/30/18/73/492301873.db2.gz CQIDHXGIUZOKKB-LUKYLMHMSA-N 2 2 355.527 0.419 10 0 FCAELP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654431927 492301876 /nfs/dbraw/zinc/30/18/76/492301876.db2.gz CQIDHXGIUZOKKB-LUKYLMHMSA-N 2 2 355.527 0.419 10 0 FCAELP CCCN(C(=O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000647566917 492312214 /nfs/dbraw/zinc/31/22/14/492312214.db2.gz GPWXMCJRRZJGFM-KRWDZBQOSA-N 2 2 373.501 0.981 10 0 FCAELP CCCN(C(=O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000647566917 492312218 /nfs/dbraw/zinc/31/22/18/492312218.db2.gz GPWXMCJRRZJGFM-KRWDZBQOSA-N 2 2 373.501 0.981 10 0 FCAELP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627482063 492316843 /nfs/dbraw/zinc/31/68/43/492316843.db2.gz LYIZQBVJSGJTJQ-HLLBOEOZSA-N 2 2 359.474 0.544 10 0 FCAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000627500237 492325025 /nfs/dbraw/zinc/32/50/25/492325025.db2.gz SXHAQFCLKFCXDL-WMLDXEAASA-N 2 2 362.449 0.727 10 0 FCAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000627500237 492325028 /nfs/dbraw/zinc/32/50/28/492325028.db2.gz SXHAQFCLKFCXDL-WMLDXEAASA-N 2 2 362.449 0.727 10 0 FCAELP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CS(=O)(=O)NC(C)(C)C)c2)CC1 ZINC000634195577 492326712 /nfs/dbraw/zinc/32/67/12/492326712.db2.gz XHRAFGPHITUQAC-UHFFFAOYSA-N 2 2 369.491 0.490 10 0 FCAELP C[NH+]1CCN(CC(=O)NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)CC1 ZINC000620723997 492328884 /nfs/dbraw/zinc/32/88/84/492328884.db2.gz TZGJLBAWTXWDAX-LJQANCHMSA-N 2 2 359.518 0.166 10 0 FCAELP C[NH+]1CCN(CC(=O)NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)CC1 ZINC000620723997 492328888 /nfs/dbraw/zinc/32/88/88/492328888.db2.gz TZGJLBAWTXWDAX-LJQANCHMSA-N 2 2 359.518 0.166 10 0 FCAELP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000654653833 492333631 /nfs/dbraw/zinc/33/36/31/492333631.db2.gz MKCZMDJPPUXBGN-QUSNUVHPSA-N 2 2 356.511 0.581 10 0 FCAELP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000654653833 492333634 /nfs/dbraw/zinc/33/36/34/492333634.db2.gz MKCZMDJPPUXBGN-QUSNUVHPSA-N 2 2 356.511 0.581 10 0 FCAELP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000654653833 492333636 /nfs/dbraw/zinc/33/36/36/492333636.db2.gz MKCZMDJPPUXBGN-QUSNUVHPSA-N 2 2 356.511 0.581 10 0 FCAELP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000654653833 492333639 /nfs/dbraw/zinc/33/36/39/492333639.db2.gz MKCZMDJPPUXBGN-QUSNUVHPSA-N 2 2 356.511 0.581 10 0 FCAELP C[C@H](CNC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654656250 492334897 /nfs/dbraw/zinc/33/48/97/492334897.db2.gz ORRRMUWHQKFKJG-UUAJXVIYSA-N 2 2 356.511 0.581 10 0 FCAELP C[C@H](CNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654656250 492334899 /nfs/dbraw/zinc/33/48/99/492334899.db2.gz ORRRMUWHQKFKJG-UUAJXVIYSA-N 2 2 356.511 0.581 10 0 FCAELP C[C@H](CNC(=O)N1C[C@@H](C)[NH+](CCO)C[C@@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654656250 492334903 /nfs/dbraw/zinc/33/49/03/492334903.db2.gz ORRRMUWHQKFKJG-UUAJXVIYSA-N 2 2 356.511 0.581 10 0 FCAELP C[C@H](CNC(=O)N1C[C@@H](C)[NH+](CCO)C[C@@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654656250 492334905 /nfs/dbraw/zinc/33/49/05/492334905.db2.gz ORRRMUWHQKFKJG-UUAJXVIYSA-N 2 2 356.511 0.581 10 0 FCAELP CC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](C)[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000642188622 492339140 /nfs/dbraw/zinc/33/91/40/492339140.db2.gz BVWISQZMQSRMKH-DYQSUWPFSA-N 2 2 372.391 0.819 10 0 FCAELP CC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](C)[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000642188622 492339143 /nfs/dbraw/zinc/33/91/43/492339143.db2.gz BVWISQZMQSRMKH-DYQSUWPFSA-N 2 2 372.391 0.819 10 0 FCAELP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000647678888 492343790 /nfs/dbraw/zinc/34/37/90/492343790.db2.gz DCASRMYYGQYZCA-FQEVSTJZSA-N 2 2 371.529 0.310 10 0 FCAELP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000647678888 492343792 /nfs/dbraw/zinc/34/37/92/492343792.db2.gz DCASRMYYGQYZCA-FQEVSTJZSA-N 2 2 371.529 0.310 10 0 FCAELP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000642519145 492360972 /nfs/dbraw/zinc/36/09/72/492360972.db2.gz LUEMFVDWWKIYHW-HXUWFJFHSA-N 2 2 371.485 0.900 10 0 FCAELP O[C@H](C[NH2+]C[C@@H](O)CC1(O)CCOCC1)C[N@@H+]1CCc2ccccc2C1 ZINC000634719273 492364348 /nfs/dbraw/zinc/36/43/48/492364348.db2.gz RBCJIVOOEMVWDO-RBUKOAKNSA-N 2 2 364.486 0.288 10 0 FCAELP O[C@H](C[NH2+]C[C@@H](O)CC1(O)CCOCC1)C[N@H+]1CCc2ccccc2C1 ZINC000634719273 492364350 /nfs/dbraw/zinc/36/43/50/492364350.db2.gz RBCJIVOOEMVWDO-RBUKOAKNSA-N 2 2 364.486 0.288 10 0 FCAELP COc1ccc(C)cc1C[NH+]1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000621491934 492386622 /nfs/dbraw/zinc/38/66/22/492386622.db2.gz CLUGHJUXGSOHOM-IBGZPJMESA-N 2 2 363.502 0.814 10 0 FCAELP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000642913076 492403206 /nfs/dbraw/zinc/40/32/06/492403206.db2.gz KEMJOLUXJBFJGG-OWCLPIDISA-N 2 2 352.479 0.086 10 0 FCAELP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000642977345 492409227 /nfs/dbraw/zinc/40/92/27/492409227.db2.gz QPZDZSHZIIEQRU-MAUKXSAKSA-N 2 2 374.485 0.646 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622029765 492444178 /nfs/dbraw/zinc/44/41/78/492444178.db2.gz LBYYTLNUUQZNDH-BEFAXECRSA-N 2 2 357.458 0.378 10 0 FCAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000648777225 492455363 /nfs/dbraw/zinc/45/53/63/492455363.db2.gz UHUVIKWFJDIPKK-HNNXBMFYSA-N 2 2 360.462 1.564 10 0 FCAELP Cn1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C2CC2)n1 ZINC000643492736 492481048 /nfs/dbraw/zinc/48/10/48/492481048.db2.gz PWFNJMKWMCLWER-CQSZACIVSA-N 2 2 374.489 0.521 10 0 FCAELP Cn1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C2CC2)n1 ZINC000643492736 492481053 /nfs/dbraw/zinc/48/10/53/492481053.db2.gz PWFNJMKWMCLWER-CQSZACIVSA-N 2 2 374.489 0.521 10 0 FCAELP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655916748 492488866 /nfs/dbraw/zinc/48/88/66/492488866.db2.gz HNJUKCGECFSIQM-NSHDSACASA-N 2 2 353.389 0.072 10 0 FCAELP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655922925 492489349 /nfs/dbraw/zinc/48/93/49/492489349.db2.gz UZQOWXGOHFARGE-NWDGAFQWSA-N 2 2 365.400 0.214 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1CCC[C@H]([C@@H]3CCC[NH2+]C3)C1)CC2 ZINC000643540985 492494216 /nfs/dbraw/zinc/49/42/16/492494216.db2.gz MJGFUYWNXGOSOU-CVEARBPZSA-N 2 2 359.474 0.772 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000643541395 492494426 /nfs/dbraw/zinc/49/44/26/492494426.db2.gz FCJRAJXZQYLAEA-HOTGVXAUSA-N 2 2 357.458 0.249 10 0 FCAELP COc1ccc(C[NH+]2CCN(C(=O)COC3(C)C[NH2+]C3)CC2)cc1F ZINC000649280405 492520628 /nfs/dbraw/zinc/52/06/28/492520628.db2.gz PCITUHRESXTRFL-UHFFFAOYSA-N 2 2 351.422 0.857 10 0 FCAELP CC[C@@H]1CN(C(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000656039841 492522513 /nfs/dbraw/zinc/52/25/13/492522513.db2.gz IVGLZQYMWSLHPG-AALSBFMBSA-N 2 2 354.495 0.186 10 0 FCAELP CC[C@@H]1CN(C(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000656039841 492522520 /nfs/dbraw/zinc/52/25/20/492522520.db2.gz IVGLZQYMWSLHPG-AALSBFMBSA-N 2 2 354.495 0.186 10 0 FCAELP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656041964 492523547 /nfs/dbraw/zinc/52/35/47/492523547.db2.gz SFJIWFIRRVZSRX-JONQDZQNSA-N 2 2 354.495 0.201 10 0 FCAELP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656041964 492523552 /nfs/dbraw/zinc/52/35/52/492523552.db2.gz SFJIWFIRRVZSRX-JONQDZQNSA-N 2 2 354.495 0.201 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656069749 492531666 /nfs/dbraw/zinc/53/16/66/492531666.db2.gz OHJUZMIKAAQGDF-LJIGWXMPSA-N 2 2 366.506 0.295 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656069749 492531669 /nfs/dbraw/zinc/53/16/69/492531669.db2.gz OHJUZMIKAAQGDF-LJIGWXMPSA-N 2 2 366.506 0.295 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656069749 492531671 /nfs/dbraw/zinc/53/16/71/492531671.db2.gz OHJUZMIKAAQGDF-LJIGWXMPSA-N 2 2 366.506 0.295 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656069749 492531674 /nfs/dbraw/zinc/53/16/74/492531674.db2.gz OHJUZMIKAAQGDF-LJIGWXMPSA-N 2 2 366.506 0.295 10 0 FCAELP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656075464 492536703 /nfs/dbraw/zinc/53/67/03/492536703.db2.gz LNYBJQZPTKJASW-OVYGPGRDSA-N 2 2 368.522 0.399 10 0 FCAELP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656075464 492536706 /nfs/dbraw/zinc/53/67/06/492536706.db2.gz LNYBJQZPTKJASW-OVYGPGRDSA-N 2 2 368.522 0.399 10 0 FCAELP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C)C[C@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656075464 492536711 /nfs/dbraw/zinc/53/67/11/492536711.db2.gz LNYBJQZPTKJASW-OVYGPGRDSA-N 2 2 368.522 0.399 10 0 FCAELP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C)C[C@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656075464 492536716 /nfs/dbraw/zinc/53/67/16/492536716.db2.gz LNYBJQZPTKJASW-OVYGPGRDSA-N 2 2 368.522 0.399 10 0 FCAELP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656080395 492540943 /nfs/dbraw/zinc/54/09/43/492540943.db2.gz VKATVVVJSBGMRO-NXOAAHMSSA-N 2 2 368.522 0.401 10 0 FCAELP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656080395 492540946 /nfs/dbraw/zinc/54/09/46/492540946.db2.gz VKATVVVJSBGMRO-NXOAAHMSSA-N 2 2 368.522 0.401 10 0 FCAELP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656080395 492540951 /nfs/dbraw/zinc/54/09/51/492540951.db2.gz VKATVVVJSBGMRO-NXOAAHMSSA-N 2 2 368.522 0.401 10 0 FCAELP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656080395 492540953 /nfs/dbraw/zinc/54/09/53/492540953.db2.gz VKATVVVJSBGMRO-NXOAAHMSSA-N 2 2 368.522 0.401 10 0 FCAELP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656084640 492545776 /nfs/dbraw/zinc/54/57/76/492545776.db2.gz ZTZJZBQKVHYHHR-HRCADAONSA-N 2 2 368.522 0.589 10 0 FCAELP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656084640 492545780 /nfs/dbraw/zinc/54/57/80/492545780.db2.gz ZTZJZBQKVHYHHR-HRCADAONSA-N 2 2 368.522 0.589 10 0 FCAELP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000623359078 492547047 /nfs/dbraw/zinc/54/70/47/492547047.db2.gz BYDWNESOUNLFTA-SFHVURJKSA-N 2 2 362.474 0.649 10 0 FCAELP C[N@H+]1CCOC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000623359078 492547050 /nfs/dbraw/zinc/54/70/50/492547050.db2.gz BYDWNESOUNLFTA-SFHVURJKSA-N 2 2 362.474 0.649 10 0 FCAELP C[NH+](C)CCOc1ccc(CNC(=O)NC[C@@H]2COCC[N@@H+]2C)cc1 ZINC000623455592 492556109 /nfs/dbraw/zinc/55/61/09/492556109.db2.gz YNSODWMBACEHMJ-MRXNPFEDSA-N 2 2 350.463 0.757 10 0 FCAELP C[NH+](C)CCOc1ccc(CNC(=O)NC[C@@H]2COCC[N@H+]2C)cc1 ZINC000623455592 492556111 /nfs/dbraw/zinc/55/61/11/492556111.db2.gz YNSODWMBACEHMJ-MRXNPFEDSA-N 2 2 350.463 0.757 10 0 FCAELP C[N@@H+]1CCOC[C@H]1CNC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000623468198 492557694 /nfs/dbraw/zinc/55/76/94/492557694.db2.gz LFIXZGQPQUXFNT-GOSISDBHSA-N 2 2 361.490 0.438 10 0 FCAELP C[N@H+]1CCOC[C@H]1CNC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000623468198 492557699 /nfs/dbraw/zinc/55/76/99/492557699.db2.gz LFIXZGQPQUXFNT-GOSISDBHSA-N 2 2 361.490 0.438 10 0 FCAELP Cc1cc(NCCNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)nc(C(C)C)[nH+]1 ZINC000623600730 492572364 /nfs/dbraw/zinc/57/23/64/492572364.db2.gz ZPJZWTCVWIBGQM-OAHLLOKOSA-N 2 2 363.510 0.865 10 0 FCAELP Cc1cc(NCCNC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)nc(C(C)C)[nH+]1 ZINC000623600730 492572368 /nfs/dbraw/zinc/57/23/68/492572368.db2.gz ZPJZWTCVWIBGQM-OAHLLOKOSA-N 2 2 363.510 0.865 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656295379 492573554 /nfs/dbraw/zinc/57/35/54/492573554.db2.gz INLLQJOMKYGQLZ-JKSUJKDBSA-N 2 2 359.474 0.897 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656295379 492573559 /nfs/dbraw/zinc/57/35/59/492573559.db2.gz INLLQJOMKYGQLZ-JKSUJKDBSA-N 2 2 359.474 0.897 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656297504 492575890 /nfs/dbraw/zinc/57/58/90/492575890.db2.gz DSDCNTMZFPQIMZ-CAOSSQGBSA-N 2 2 366.506 0.201 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656297504 492575892 /nfs/dbraw/zinc/57/58/92/492575892.db2.gz DSDCNTMZFPQIMZ-CAOSSQGBSA-N 2 2 366.506 0.201 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656297504 492575893 /nfs/dbraw/zinc/57/58/93/492575893.db2.gz DSDCNTMZFPQIMZ-CAOSSQGBSA-N 2 2 366.506 0.201 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656297504 492575896 /nfs/dbraw/zinc/57/58/96/492575896.db2.gz DSDCNTMZFPQIMZ-CAOSSQGBSA-N 2 2 366.506 0.201 10 0 FCAELP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656302976 492579137 /nfs/dbraw/zinc/57/91/37/492579137.db2.gz OBLMNYDSGSKOQZ-QXSJWSMHSA-N 2 2 356.511 0.447 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656312927 492586938 /nfs/dbraw/zinc/58/69/38/492586938.db2.gz YXBFTHVORMMCHR-AIANPOQGSA-N 2 2 366.506 0.201 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656312927 492586942 /nfs/dbraw/zinc/58/69/42/492586942.db2.gz YXBFTHVORMMCHR-AIANPOQGSA-N 2 2 366.506 0.201 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656312927 492586944 /nfs/dbraw/zinc/58/69/44/492586944.db2.gz YXBFTHVORMMCHR-AIANPOQGSA-N 2 2 366.506 0.201 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656312927 492586948 /nfs/dbraw/zinc/58/69/48/492586948.db2.gz YXBFTHVORMMCHR-AIANPOQGSA-N 2 2 366.506 0.201 10 0 FCAELP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656317503 492589092 /nfs/dbraw/zinc/58/90/92/492589092.db2.gz YGHMXZDKPMEGRS-MWDXBVQZSA-N 2 2 368.522 0.591 10 0 FCAELP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656317503 492589096 /nfs/dbraw/zinc/58/90/96/492589096.db2.gz YGHMXZDKPMEGRS-MWDXBVQZSA-N 2 2 368.522 0.591 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NC1CCC([NH+](C)C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656340167 492602636 /nfs/dbraw/zinc/60/26/36/492602636.db2.gz NXGNVDNBQCEELD-CGLCSIQHSA-N 2 2 368.522 0.589 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NC1CCC([NH+](C)C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656340167 492602640 /nfs/dbraw/zinc/60/26/40/492602640.db2.gz NXGNVDNBQCEELD-CGLCSIQHSA-N 2 2 368.522 0.589 10 0 FCAELP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656342991 492604657 /nfs/dbraw/zinc/60/46/57/492604657.db2.gz IYHBJHTVKHRDDJ-WCXIOVBPSA-N 2 2 368.522 0.448 10 0 FCAELP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656342991 492604660 /nfs/dbraw/zinc/60/46/60/492604660.db2.gz IYHBJHTVKHRDDJ-WCXIOVBPSA-N 2 2 368.522 0.448 10 0 FCAELP CCC[NH+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656342991 492604663 /nfs/dbraw/zinc/60/46/63/492604663.db2.gz IYHBJHTVKHRDDJ-WCXIOVBPSA-N 2 2 368.522 0.448 10 0 FCAELP CCC[NH+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656342991 492604665 /nfs/dbraw/zinc/60/46/65/492604665.db2.gz IYHBJHTVKHRDDJ-WCXIOVBPSA-N 2 2 368.522 0.448 10 0 FCAELP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656344792 492605236 /nfs/dbraw/zinc/60/52/36/492605236.db2.gz ZKLLPTLCXXODMS-LVQVYYBASA-N 2 2 354.495 0.201 10 0 FCAELP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656344792 492605240 /nfs/dbraw/zinc/60/52/40/492605240.db2.gz ZKLLPTLCXXODMS-LVQVYYBASA-N 2 2 354.495 0.201 10 0 FCAELP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656344792 492605242 /nfs/dbraw/zinc/60/52/42/492605242.db2.gz ZKLLPTLCXXODMS-LVQVYYBASA-N 2 2 354.495 0.201 10 0 FCAELP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656344792 492605246 /nfs/dbraw/zinc/60/52/46/492605246.db2.gz ZKLLPTLCXXODMS-LVQVYYBASA-N 2 2 354.495 0.201 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656344205 492605434 /nfs/dbraw/zinc/60/54/34/492605434.db2.gz UFDNCQROPSXMGD-ARKGTOAJSA-N 2 2 354.495 0.057 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656344205 492605437 /nfs/dbraw/zinc/60/54/37/492605437.db2.gz UFDNCQROPSXMGD-ARKGTOAJSA-N 2 2 354.495 0.057 10 0 FCAELP C[NH2+]CCOCC[N@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000629569402 492647747 /nfs/dbraw/zinc/64/77/47/492647747.db2.gz BWFYRUGVKPDMND-UHFFFAOYSA-N 3 2 354.520 0.560 10 0 FCAELP C[NH2+]CCOCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000629569402 492647749 /nfs/dbraw/zinc/64/77/49/492647749.db2.gz BWFYRUGVKPDMND-UHFFFAOYSA-N 3 2 354.520 0.560 10 0 FCAELP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585194 492657229 /nfs/dbraw/zinc/65/72/29/492657229.db2.gz MUOCIJGWMMOZAH-ZYSHUDEJSA-N 2 2 358.490 0.445 10 0 FCAELP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585194 492657235 /nfs/dbraw/zinc/65/72/35/492657235.db2.gz MUOCIJGWMMOZAH-ZYSHUDEJSA-N 2 2 358.490 0.445 10 0 FCAELP C[N@@H+]1CCOC[C@H]1CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000624742582 492679721 /nfs/dbraw/zinc/67/97/21/492679721.db2.gz YDQUFEOYLZXFDX-QGZVFWFLSA-N 2 2 368.522 0.899 10 0 FCAELP C[N@H+]1CCOC[C@H]1CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000624742582 492679726 /nfs/dbraw/zinc/67/97/26/492679726.db2.gz YDQUFEOYLZXFDX-QGZVFWFLSA-N 2 2 368.522 0.899 10 0 FCAELP C[C@@H]1CCN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C[C@H]1n1cc[nH+]c1 ZINC000629802747 492679853 /nfs/dbraw/zinc/67/98/53/492679853.db2.gz PESWUBGYCICTHI-RGCFKVTRSA-N 2 2 359.474 0.751 10 0 FCAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650911029 492683137 /nfs/dbraw/zinc/68/31/37/492683137.db2.gz CHCOOARIVCZYOF-UHFFFAOYSA-N 2 2 350.467 0.455 10 0 FCAELP COC1CCN(S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000657071131 492709187 /nfs/dbraw/zinc/70/91/87/492709187.db2.gz GOZURBFDBFEYFM-AWEZNQCLSA-N 2 2 350.529 0.204 10 0 FCAELP CC(=O)N(C)c1ccc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000657091690 492715255 /nfs/dbraw/zinc/71/52/55/492715255.db2.gz OLWBHXTYOVZWTD-UHFFFAOYSA-N 2 2 370.519 0.831 10 0 FCAELP CC(=O)N(C)c1ccc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000657091690 492715259 /nfs/dbraw/zinc/71/52/59/492715259.db2.gz OLWBHXTYOVZWTD-UHFFFAOYSA-N 2 2 370.519 0.831 10 0 FCAELP C[NH+](C)CCN1C(=O)C[C@H]([NH+]2CCN(c3cccc4[nH]ccc43)CC2)C1=O ZINC000630383949 492744451 /nfs/dbraw/zinc/74/44/51/492744451.db2.gz RBYGHPFHQSIDLJ-SFHVURJKSA-N 2 2 369.469 0.979 10 0 FCAELP C[NH+](C)CCN1CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1=O ZINC000651383425 492750078 /nfs/dbraw/zinc/75/00/78/492750078.db2.gz YZTLABRVRIRPGD-OAHLLOKOSA-N 2 2 362.478 0.038 10 0 FCAELP C[NH+](C)CCN1CCN(c2cc(N3CCCC[C@@H]3CO)nc[nH+]2)CC1=O ZINC000651383425 492750081 /nfs/dbraw/zinc/75/00/81/492750081.db2.gz YZTLABRVRIRPGD-OAHLLOKOSA-N 2 2 362.478 0.038 10 0 FCAELP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000625356582 492761947 /nfs/dbraw/zinc/76/19/47/492761947.db2.gz LVWNQZSWKLKRPW-KRWDZBQOSA-N 2 2 371.485 0.863 10 0 FCAELP O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000625356582 492761950 /nfs/dbraw/zinc/76/19/50/492761950.db2.gz LVWNQZSWKLKRPW-KRWDZBQOSA-N 2 2 371.485 0.863 10 0 FCAELP CN1c2ccccc2C[C@@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C1=O ZINC000657574780 492762137 /nfs/dbraw/zinc/76/21/37/492762137.db2.gz NJPXOKPJNWPNFU-QGZVFWFLSA-N 2 2 366.469 0.906 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000625387519 492771108 /nfs/dbraw/zinc/77/11/08/492771108.db2.gz RXFKSOHBTKPZHF-KRWDZBQOSA-N 2 2 366.506 0.300 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000625387519 492771111 /nfs/dbraw/zinc/77/11/11/492771111.db2.gz RXFKSOHBTKPZHF-KRWDZBQOSA-N 2 2 366.506 0.300 10 0 FCAELP Cc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000644569138 492785811 /nfs/dbraw/zinc/78/58/11/492785811.db2.gz MAMLVUFLTRJWKE-OALUTQOASA-N 2 2 363.502 0.731 10 0 FCAELP CN(C)c1[nH+]cc(C[NH2+]C[C@@]2(CO)COCCN2Cc2ccccc2)n1C ZINC000657745459 492789101 /nfs/dbraw/zinc/78/91/01/492789101.db2.gz RCPVDIVYLUDLJD-HXUWFJFHSA-N 2 2 373.501 0.839 10 0 FCAELP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000631059519 492795938 /nfs/dbraw/zinc/79/59/38/492795938.db2.gz NMBCBXJUCSIZMJ-DOTOQJQBSA-N 2 2 364.494 0.347 10 0 FCAELP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000631059519 492795943 /nfs/dbraw/zinc/79/59/43/492795943.db2.gz NMBCBXJUCSIZMJ-DOTOQJQBSA-N 2 2 364.494 0.347 10 0 FCAELP Cn1nccc1[C@@H](CO)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631156776 492800709 /nfs/dbraw/zinc/80/07/09/492800709.db2.gz DEXJWXPYLHCJSA-GOSISDBHSA-N 2 2 360.458 0.954 10 0 FCAELP C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000637284374 492805133 /nfs/dbraw/zinc/80/51/33/492805133.db2.gz IRPZWNMFHGZHGK-BZUAXINKSA-N 2 2 352.479 0.260 10 0 FCAELP C[N@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000637284374 492805138 /nfs/dbraw/zinc/80/51/38/492805138.db2.gz IRPZWNMFHGZHGK-BZUAXINKSA-N 2 2 352.479 0.260 10 0 FCAELP CN(C(=O)C1(N2CCOCC2)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000631246917 492806432 /nfs/dbraw/zinc/80/64/32/492806432.db2.gz LNWFEAWDGRLVCG-QGZVFWFLSA-N 2 2 350.507 0.478 10 0 FCAELP CN(C(=O)C1(N2CCOCC2)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000631246917 492806437 /nfs/dbraw/zinc/80/64/37/492806437.db2.gz LNWFEAWDGRLVCG-QGZVFWFLSA-N 2 2 350.507 0.478 10 0 FCAELP C[NH+]1CCN(C(=O)CCNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000631280922 492809422 /nfs/dbraw/zinc/80/94/22/492809422.db2.gz NQUFPLGGODGRPK-UHFFFAOYSA-N 2 2 355.442 0.695 10 0 FCAELP C[NH+](C)CCN(Cc1cccc(F)c1)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631813952 492857874 /nfs/dbraw/zinc/85/78/74/492857874.db2.gz XPCUUOIMWNNZNE-KRWDZBQOSA-N 2 2 373.494 0.850 10 0 FCAELP C[NH+](C)CCN(Cc1cccc(F)c1)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631813952 492857876 /nfs/dbraw/zinc/85/78/76/492857876.db2.gz XPCUUOIMWNNZNE-KRWDZBQOSA-N 2 2 373.494 0.850 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc2nccnc2c1 ZINC000658335218 492860680 /nfs/dbraw/zinc/86/06/80/492860680.db2.gz NNICUHCQWXSDTK-AWEZNQCLSA-N 2 2 372.473 0.957 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc2nccnc2c1 ZINC000658335218 492860685 /nfs/dbraw/zinc/86/06/85/492860685.db2.gz NNICUHCQWXSDTK-AWEZNQCLSA-N 2 2 372.473 0.957 10 0 FCAELP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000631914264 492880357 /nfs/dbraw/zinc/88/03/57/492880357.db2.gz UJHXPYFXDXVTFH-HNNXBMFYSA-N 2 2 354.476 0.480 10 0 FCAELP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000631914523 492880568 /nfs/dbraw/zinc/88/05/68/492880568.db2.gz XZYBTWRBJDAZRO-HNNXBMFYSA-N 2 2 354.476 0.480 10 0 FCAELP C[C@@H](CNS(=O)(=O)C[C@H]1C[NH2+]CCO1)[N@@H+]1CCc2sccc2C1 ZINC000631915951 492881937 /nfs/dbraw/zinc/88/19/37/492881937.db2.gz QZWPOMFUVZOATR-GXTWGEPZSA-N 2 2 359.517 0.403 10 0 FCAELP C[C@@H](CNS(=O)(=O)C[C@H]1C[NH2+]CCO1)[N@H+]1CCc2sccc2C1 ZINC000631915951 492881938 /nfs/dbraw/zinc/88/19/38/492881938.db2.gz QZWPOMFUVZOATR-GXTWGEPZSA-N 2 2 359.517 0.403 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)c2ccccc2O1 ZINC000658426719 492885291 /nfs/dbraw/zinc/88/52/91/492885291.db2.gz IGKLYYZBARFSHM-OAHLLOKOSA-N 2 2 362.474 0.800 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c2ccccc2O1 ZINC000658426719 492885293 /nfs/dbraw/zinc/88/52/93/492885293.db2.gz IGKLYYZBARFSHM-OAHLLOKOSA-N 2 2 362.474 0.800 10 0 FCAELP COc1ccc(F)c(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000658427979 492885585 /nfs/dbraw/zinc/88/55/85/492885585.db2.gz GODJRNGZWDWORG-UHFFFAOYSA-N 2 2 354.426 0.773 10 0 FCAELP COc1ccc(F)c(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000658427979 492885588 /nfs/dbraw/zinc/88/55/88/492885588.db2.gz GODJRNGZWDWORG-UHFFFAOYSA-N 2 2 354.426 0.773 10 0 FCAELP COc1ccc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1F ZINC000658427824 492885925 /nfs/dbraw/zinc/88/59/25/492885925.db2.gz QMWQVNWDMNPJLH-UHFFFAOYSA-N 2 2 354.426 0.773 10 0 FCAELP COc1ccc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1F ZINC000658427824 492885927 /nfs/dbraw/zinc/88/59/27/492885927.db2.gz QMWQVNWDMNPJLH-UHFFFAOYSA-N 2 2 354.426 0.773 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000658428711 492886753 /nfs/dbraw/zinc/88/67/53/492886753.db2.gz YQZLGQBFAPFZTJ-UHFFFAOYSA-N 2 2 361.446 0.119 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000658428711 492886756 /nfs/dbraw/zinc/88/67/56/492886756.db2.gz YQZLGQBFAPFZTJ-UHFFFAOYSA-N 2 2 361.446 0.119 10 0 FCAELP O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000658465306 492905660 /nfs/dbraw/zinc/90/56/60/492905660.db2.gz ZNNWYNMDAVXPFN-GOSISDBHSA-N 2 2 356.470 0.684 10 0 FCAELP O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000658465306 492905663 /nfs/dbraw/zinc/90/56/63/492905663.db2.gz ZNNWYNMDAVXPFN-GOSISDBHSA-N 2 2 356.470 0.684 10 0 FCAELP COc1ccc(COCC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cn1 ZINC000625993882 492911783 /nfs/dbraw/zinc/91/17/83/492911783.db2.gz OBBXXYZSGIMBJK-UHFFFAOYSA-N 2 2 350.463 0.749 10 0 FCAELP CCO[C@@H]1C[N@H+](CC(=O)NCc2ccc(OC)c(OC)c2)C[C@H]1C[NH3+] ZINC000652358153 492915732 /nfs/dbraw/zinc/91/57/32/492915732.db2.gz GRACCSUJAKXJFE-RHSMWYFYSA-N 2 2 351.447 0.616 10 0 FCAELP CCO[C@@H]1C[N@@H+](CC(=O)NCc2ccc(OC)c(OC)c2)C[C@H]1C[NH3+] ZINC000652358153 492915735 /nfs/dbraw/zinc/91/57/35/492915735.db2.gz GRACCSUJAKXJFE-RHSMWYFYSA-N 2 2 351.447 0.616 10 0 FCAELP CN(C(=O)C1CS(=O)(=O)C1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000632101395 492929258 /nfs/dbraw/zinc/92/92/58/492929258.db2.gz VRPAKVQLAHFKNC-IRXDYDNUSA-N 2 2 371.547 0.827 10 0 FCAELP CN(C(=O)C1CS(=O)(=O)C1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000632101395 492929262 /nfs/dbraw/zinc/92/92/62/492929262.db2.gz VRPAKVQLAHFKNC-IRXDYDNUSA-N 2 2 371.547 0.827 10 0 FCAELP C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000632127952 492935429 /nfs/dbraw/zinc/93/54/29/492935429.db2.gz MSNTZRHGKXJEMS-PVAVHDDUSA-N 2 2 357.520 0.596 10 0 FCAELP C[N@H+]1CCO[C@H](CS(=O)(=O)N2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000632127952 492935432 /nfs/dbraw/zinc/93/54/32/492935432.db2.gz MSNTZRHGKXJEMS-PVAVHDDUSA-N 2 2 357.520 0.596 10 0 FCAELP C[NH+]1CCO[C@H](CS(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000632127952 492935433 /nfs/dbraw/zinc/93/54/33/492935433.db2.gz MSNTZRHGKXJEMS-PVAVHDDUSA-N 2 2 357.520 0.596 10 0 FCAELP C[NH+]1CCO[C@H](CS(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000632127952 492935435 /nfs/dbraw/zinc/93/54/35/492935435.db2.gz MSNTZRHGKXJEMS-PVAVHDDUSA-N 2 2 357.520 0.596 10 0 FCAELP C[N@@H+]1CC[C@@H](NS(=O)(=O)C[C@@H]2C[NH+](C)CCO2)[C@H]1c1ccccc1 ZINC000632151099 492939465 /nfs/dbraw/zinc/93/94/65/492939465.db2.gz XSZGYYJHSLACPN-GVDBMIGSSA-N 2 2 353.488 0.682 10 0 FCAELP C[N@H+]1CC[C@@H](NS(=O)(=O)C[C@@H]2C[NH+](C)CCO2)[C@H]1c1ccccc1 ZINC000632151099 492939468 /nfs/dbraw/zinc/93/94/68/492939468.db2.gz XSZGYYJHSLACPN-GVDBMIGSSA-N 2 2 353.488 0.682 10 0 FCAELP C[NH+]1CC[C@@H](NS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)[C@H]1c1ccccc1 ZINC000632151099 492939470 /nfs/dbraw/zinc/93/94/70/492939470.db2.gz XSZGYYJHSLACPN-GVDBMIGSSA-N 2 2 353.488 0.682 10 0 FCAELP C[NH+]1CC[C@@H](NS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)[C@H]1c1ccccc1 ZINC000632151099 492939473 /nfs/dbraw/zinc/93/94/73/492939473.db2.gz XSZGYYJHSLACPN-GVDBMIGSSA-N 2 2 353.488 0.682 10 0 FCAELP COC[C@@]1(C)C[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CCO1 ZINC000626170990 492942250 /nfs/dbraw/zinc/94/22/50/492942250.db2.gz SNJKUBKGOKDREX-FUHWJXTLSA-N 2 2 357.495 0.197 10 0 FCAELP COC[C@@]1(C)C[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CCO1 ZINC000626170990 492942255 /nfs/dbraw/zinc/94/22/55/492942255.db2.gz SNJKUBKGOKDREX-FUHWJXTLSA-N 2 2 357.495 0.197 10 0 FCAELP COC[C@@]1(C)C[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CCO1 ZINC000626170990 492942261 /nfs/dbraw/zinc/94/22/61/492942261.db2.gz SNJKUBKGOKDREX-FUHWJXTLSA-N 2 2 357.495 0.197 10 0 FCAELP COC[C@@]1(C)C[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CCO1 ZINC000626170990 492942266 /nfs/dbraw/zinc/94/22/66/492942266.db2.gz SNJKUBKGOKDREX-FUHWJXTLSA-N 2 2 357.495 0.197 10 0 FCAELP COC[C@]1(C)C[NH+](CCOCC[N@@H+]2CCO[C@](C)(COC)C2)CCO1 ZINC000626176116 492943553 /nfs/dbraw/zinc/94/35/53/492943553.db2.gz GGZDLIOPWRKSOM-ROUUACIJSA-N 2 2 360.495 0.478 10 0 FCAELP COC[C@]1(C)C[NH+](CCOCC[N@H+]2CCO[C@](C)(COC)C2)CCO1 ZINC000626176116 492943557 /nfs/dbraw/zinc/94/35/57/492943557.db2.gz GGZDLIOPWRKSOM-ROUUACIJSA-N 2 2 360.495 0.478 10 0 FCAELP C[N@@H+]1CCO[C@H](CS(=O)(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000632178126 492944989 /nfs/dbraw/zinc/94/49/89/492944989.db2.gz LHYZQFAHGVNRMS-KRWDZBQOSA-N 2 2 368.503 0.548 10 0 FCAELP C[N@H+]1CCO[C@H](CS(=O)(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000632178126 492944993 /nfs/dbraw/zinc/94/49/93/492944993.db2.gz LHYZQFAHGVNRMS-KRWDZBQOSA-N 2 2 368.503 0.548 10 0 FCAELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)c2cnc(C[NH3+])nc2)C1 ZINC000638430927 492945902 /nfs/dbraw/zinc/94/59/02/492945902.db2.gz RVZVGEZXQNWOQM-QGZVFWFLSA-N 2 2 354.458 0.481 10 0 FCAELP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)c2cnc(C[NH3+])nc2)C1 ZINC000638430927 492945903 /nfs/dbraw/zinc/94/59/03/492945903.db2.gz RVZVGEZXQNWOQM-QGZVFWFLSA-N 2 2 354.458 0.481 10 0 FCAELP C[C@H](NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000632197042 492948271 /nfs/dbraw/zinc/94/82/71/492948271.db2.gz KOGYRUWZOUHXBV-YQQAZPJKSA-N 2 2 359.536 0.889 10 0 FCAELP C[C@H](NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000632197042 492948276 /nfs/dbraw/zinc/94/82/76/492948276.db2.gz KOGYRUWZOUHXBV-YQQAZPJKSA-N 2 2 359.536 0.889 10 0 FCAELP C[C@H](NS(=O)(=O)C[C@H]1C[NH+](C)CCO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000632197042 492948280 /nfs/dbraw/zinc/94/82/80/492948280.db2.gz KOGYRUWZOUHXBV-YQQAZPJKSA-N 2 2 359.536 0.889 10 0 FCAELP C[C@H](NS(=O)(=O)C[C@H]1C[NH+](C)CCO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000632197042 492948285 /nfs/dbraw/zinc/94/82/85/492948285.db2.gz KOGYRUWZOUHXBV-YQQAZPJKSA-N 2 2 359.536 0.889 10 0 FCAELP CC[N@H+](CCNS(=O)(=O)C[C@@H]1C[NH+](C)CCO1)CCC(F)(F)F ZINC000632274379 492962773 /nfs/dbraw/zinc/96/27/73/492962773.db2.gz FZJFSRQUHZRMCB-LBPRGKRZSA-N 2 2 361.430 0.511 10 0 FCAELP CC[N@@H+](CCNS(=O)(=O)C[C@@H]1C[NH+](C)CCO1)CCC(F)(F)F ZINC000632274379 492962775 /nfs/dbraw/zinc/96/27/75/492962775.db2.gz FZJFSRQUHZRMCB-LBPRGKRZSA-N 2 2 361.430 0.511 10 0 FCAELP CC[NH+](CCNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)CCC(F)(F)F ZINC000632274379 492962780 /nfs/dbraw/zinc/96/27/80/492962780.db2.gz FZJFSRQUHZRMCB-LBPRGKRZSA-N 2 2 361.430 0.511 10 0 FCAELP CC[NH+](CCNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)CCC(F)(F)F ZINC000632274379 492962783 /nfs/dbraw/zinc/96/27/83/492962783.db2.gz FZJFSRQUHZRMCB-LBPRGKRZSA-N 2 2 361.430 0.511 10 0 FCAELP Cc1c[nH+]ccc1OC1CCN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CC1 ZINC000632282881 492964247 /nfs/dbraw/zinc/96/42/47/492964247.db2.gz GMCJQAUZTMYSLX-MRXNPFEDSA-N 2 2 369.487 0.894 10 0 FCAELP Cc1c[nH+]ccc1OC1CCN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000632282881 492964250 /nfs/dbraw/zinc/96/42/50/492964250.db2.gz GMCJQAUZTMYSLX-MRXNPFEDSA-N 2 2 369.487 0.894 10 0 FCAELP CCO[C@@H]1CN(C(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)C[C@H]1C[NH3+] ZINC000652676594 492986074 /nfs/dbraw/zinc/98/60/74/492986074.db2.gz BGEIWWBKEJVCPS-GDBMZVCRSA-N 2 2 373.457 0.124 10 0 FCAELP O=C(NCCC1CC[NH2+]CC1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000652687551 492990498 /nfs/dbraw/zinc/99/04/98/492990498.db2.gz GHUSZJWOFZWPGM-UHFFFAOYSA-N 2 2 359.474 0.673 10 0 FCAELP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000658687263 493007715 /nfs/dbraw/zinc/00/77/15/493007715.db2.gz FVSUSOFBKXAVDM-HNNXBMFYSA-N 2 2 368.522 0.545 10 0 FCAELP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000658687263 493007719 /nfs/dbraw/zinc/00/77/19/493007719.db2.gz FVSUSOFBKXAVDM-HNNXBMFYSA-N 2 2 368.522 0.545 10 0 FCAELP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658687263 493007724 /nfs/dbraw/zinc/00/77/24/493007724.db2.gz FVSUSOFBKXAVDM-HNNXBMFYSA-N 2 2 368.522 0.545 10 0 FCAELP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658687263 493007730 /nfs/dbraw/zinc/00/77/30/493007730.db2.gz FVSUSOFBKXAVDM-HNNXBMFYSA-N 2 2 368.522 0.545 10 0 FCAELP CC(C)[C@@H](C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000652735456 493012354 /nfs/dbraw/zinc/01/23/54/493012354.db2.gz KXNFNOQQENFUSM-JZXOWHBKSA-N 2 2 368.522 0.353 10 0 FCAELP CC(C)[C@@H](C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000652735456 493012356 /nfs/dbraw/zinc/01/23/56/493012356.db2.gz KXNFNOQQENFUSM-JZXOWHBKSA-N 2 2 368.522 0.353 10 0 FCAELP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)N1CCO[C@@H]3CCCC[C@@H]31)CCO2 ZINC000646104385 493012998 /nfs/dbraw/zinc/01/29/98/493012998.db2.gz LQTKPUUJBZZYJC-DLBZAZTESA-N 2 2 351.491 0.953 10 0 FCAELP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)N1CCO[C@@H]3CCCC[C@@H]31)CCO2 ZINC000646104385 493013003 /nfs/dbraw/zinc/01/30/03/493013003.db2.gz LQTKPUUJBZZYJC-DLBZAZTESA-N 2 2 351.491 0.953 10 0 FCAELP C[NH2+]CCOCCN(C)C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000626873040 493043624 /nfs/dbraw/zinc/04/36/24/493043624.db2.gz PQRUGQAVUSBPNM-UHFFFAOYSA-N 2 2 359.430 0.720 10 0 FCAELP C[C@@H](c1cccc(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)c1)[NH+]1CCOCC1 ZINC000626910055 493059883 /nfs/dbraw/zinc/05/98/83/493059883.db2.gz XMYNCPXGCLWXMU-GRDNDAEWSA-N 2 2 360.458 0.885 10 0 FCAELP CCN(C(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000658804362 493062113 /nfs/dbraw/zinc/06/21/13/493062113.db2.gz SKPHKTWOFCZGDJ-OAHLLOKOSA-N 2 2 354.495 0.108 10 0 FCAELP CCN(C(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000658804362 493062120 /nfs/dbraw/zinc/06/21/20/493062120.db2.gz SKPHKTWOFCZGDJ-OAHLLOKOSA-N 2 2 354.495 0.108 10 0 FCAELP [NH3+]C1(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)CCOCC1 ZINC000626919136 493062477 /nfs/dbraw/zinc/06/24/77/493062477.db2.gz AFRSKKJLRWCPMJ-CQSZACIVSA-N 2 2 368.503 0.929 10 0 FCAELP [NH3+]CC1(NC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)CCOCC1 ZINC000626924727 493063387 /nfs/dbraw/zinc/06/33/87/493063387.db2.gz CTUMRESUTADSQZ-KRWDZBQOSA-N 2 2 362.474 0.867 10 0 FCAELP [NH3+]CCCOCCNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000626926009 493064857 /nfs/dbraw/zinc/06/48/57/493064857.db2.gz UUQOYPJJDXLMKU-QGZVFWFLSA-N 2 2 350.463 0.725 10 0 FCAELP [NH3+]C1(CNC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)CCOCC1 ZINC000626926255 493065137 /nfs/dbraw/zinc/06/51/37/493065137.db2.gz ZLHQYCHWEKEOGS-QGZVFWFLSA-N 2 2 362.474 0.867 10 0 FCAELP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653106964 493070866 /nfs/dbraw/zinc/07/08/66/493070866.db2.gz RWMREHJZMAFWME-PXNSSMCTSA-N 2 2 359.470 0.884 10 0 FCAELP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000653109101 493071604 /nfs/dbraw/zinc/07/16/04/493071604.db2.gz SWHJUCWCRHCQOX-ZDUSSCGKSA-N 2 2 370.295 0.772 10 0 FCAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000653127054 493075773 /nfs/dbraw/zinc/07/57/73/493075773.db2.gz XJIZBRVVFVRHKT-WBVHZDCISA-N 2 2 373.501 0.869 10 0 FCAELP CCN(C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000658830407 493077045 /nfs/dbraw/zinc/07/70/45/493077045.db2.gz SCXMHDFYLYHDOT-IAGOWNOFSA-N 2 2 366.506 0.252 10 0 FCAELP CCN(C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000658830407 493077047 /nfs/dbraw/zinc/07/70/47/493077047.db2.gz SCXMHDFYLYHDOT-IAGOWNOFSA-N 2 2 366.506 0.252 10 0 FCAELP C[C@H](NC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)[C@H]1CCC[NH2+]C1 ZINC000627068690 493085876 /nfs/dbraw/zinc/08/58/76/493085876.db2.gz MBPSNCGJQBCPNH-SZMVWBNQSA-N 2 2 361.490 0.970 10 0 FCAELP C[C@H](NC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)[C@H]1CCC[NH2+]C1 ZINC000627068690 493085879 /nfs/dbraw/zinc/08/58/79/493085879.db2.gz MBPSNCGJQBCPNH-SZMVWBNQSA-N 2 2 361.490 0.970 10 0 FCAELP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627118339 493090473 /nfs/dbraw/zinc/09/04/73/493090473.db2.gz YIWPNNLDJPNAHS-MSOLQXFVSA-N 2 2 361.490 0.090 10 0 FCAELP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627118339 493090477 /nfs/dbraw/zinc/09/04/77/493090477.db2.gz YIWPNNLDJPNAHS-MSOLQXFVSA-N 2 2 361.490 0.090 10 0 FCAELP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627118339 493090483 /nfs/dbraw/zinc/09/04/83/493090483.db2.gz YIWPNNLDJPNAHS-MSOLQXFVSA-N 2 2 361.490 0.090 10 0 FCAELP O=C(NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000627120069 493090876 /nfs/dbraw/zinc/09/08/76/493090876.db2.gz ZHCALKLUHXEILK-DLBZAZTESA-N 2 2 359.474 0.724 10 0 FCAELP O=C(NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000627120069 493090881 /nfs/dbraw/zinc/09/08/81/493090881.db2.gz ZHCALKLUHXEILK-DLBZAZTESA-N 2 2 359.474 0.724 10 0 FCAELP CN(C(=O)NCC1([NH3+])CCOCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000627150483 493096410 /nfs/dbraw/zinc/09/64/10/493096410.db2.gz LSDSDOQDIVYINP-MRXNPFEDSA-N 3 2 353.511 0.304 10 0 FCAELP CN(C(=O)NCC1([NH3+])CCOCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000627150483 493096413 /nfs/dbraw/zinc/09/64/13/493096413.db2.gz LSDSDOQDIVYINP-MRXNPFEDSA-N 3 2 353.511 0.304 10 0 FCAELP O=C(NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000627224795 493109907 /nfs/dbraw/zinc/10/99/07/493109907.db2.gz OXZVLMWVEVUUNV-OTWHNJEPSA-N 2 2 373.501 0.923 10 0 FCAELP O=C(NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000627224795 493109909 /nfs/dbraw/zinc/10/99/09/493109909.db2.gz OXZVLMWVEVUUNV-OTWHNJEPSA-N 2 2 373.501 0.923 10 0 FCAELP O=C(NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000627224148 493109940 /nfs/dbraw/zinc/10/99/40/493109940.db2.gz JKGRXYBBQPBRQW-HKUYNNGSSA-N 2 2 359.474 0.677 10 0 FCAELP O=C(NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000627224148 493109941 /nfs/dbraw/zinc/10/99/41/493109941.db2.gz JKGRXYBBQPBRQW-HKUYNNGSSA-N 2 2 359.474 0.677 10 0 FCAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000627237989 493115406 /nfs/dbraw/zinc/11/54/06/493115406.db2.gz XSDBGAGUQITQMX-HRCADAONSA-N 2 2 351.495 0.465 10 0 FCAELP C[NH+]1CCC2(CC1)CN(C(=O)C(=O)Nc1ccn3cc[nH+]c3c1)CCO2 ZINC000646888384 493118079 /nfs/dbraw/zinc/11/80/79/493118079.db2.gz ASSJNGXWDVVSNB-UHFFFAOYSA-N 2 2 357.414 0.596 10 0 FCAELP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CCO1 ZINC000659001214 493123742 /nfs/dbraw/zinc/12/37/42/493123742.db2.gz QDYDBYSTRRIWLA-OAHLLOKOSA-N 2 2 359.430 0.842 10 0 FCAELP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000659024482 493126795 /nfs/dbraw/zinc/12/67/95/493126795.db2.gz DUPQOAQCIHZEKP-CABCVRRESA-N 2 2 373.423 0.991 10 0 FCAELP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000659024482 493126800 /nfs/dbraw/zinc/12/68/00/493126800.db2.gz DUPQOAQCIHZEKP-CABCVRRESA-N 2 2 373.423 0.991 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000659093926 493148893 /nfs/dbraw/zinc/14/88/93/493148893.db2.gz DVPGDRXSXQBIJR-UHFFFAOYSA-N 3 2 361.490 0.271 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000659093926 493148896 /nfs/dbraw/zinc/14/88/96/493148896.db2.gz DVPGDRXSXQBIJR-UHFFFAOYSA-N 3 2 361.490 0.271 10 0 FCAELP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000627317046 493149195 /nfs/dbraw/zinc/14/91/95/493149195.db2.gz CUYZKPGGFBFHAP-MRXNPFEDSA-N 2 2 373.457 0.320 10 0 FCAELP [NH3+]CCCOCCNC(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000627324180 493153181 /nfs/dbraw/zinc/15/31/81/493153181.db2.gz SEFZHCQPQSRVPW-UHFFFAOYSA-N 2 2 363.462 0.170 10 0 FCAELP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000633555921 493164005 /nfs/dbraw/zinc/16/40/05/493164005.db2.gz RCTDXTLXZDDIDQ-OAHLLOKOSA-N 2 2 355.442 0.993 10 0 FCAELP Cc1cc(NCCNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)nc(C(C)C)[nH+]1 ZINC000627420237 493210147 /nfs/dbraw/zinc/21/01/47/493210147.db2.gz CECVERYTAHKGIX-KBPBESRZSA-N 2 2 362.478 0.680 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627425719 493213453 /nfs/dbraw/zinc/21/34/53/493213453.db2.gz XXWSLGKSQZXWAJ-KBXIAJHMSA-N 2 2 352.479 0.001 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627425719 493213460 /nfs/dbraw/zinc/21/34/60/493213460.db2.gz XXWSLGKSQZXWAJ-KBXIAJHMSA-N 2 2 352.479 0.001 10 0 FCAELP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000659683219 493250305 /nfs/dbraw/zinc/25/03/05/493250305.db2.gz VKCTWUBDXCIDGJ-OWCLPIDISA-N 2 2 354.495 0.236 10 0 FCAELP CC1CCN(c2ccc(CNC(=O)C(=O)NCC34CC(C3)C[NH2+]4)c[nH+]2)CC1 ZINC000659689515 493255489 /nfs/dbraw/zinc/25/54/89/493255489.db2.gz BWOOLZGSKCKIMN-UHFFFAOYSA-N 2 2 371.485 0.802 10 0 FCAELP CN(C(=O)C(=O)NCC[C@@H]1CCOC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673114745 493291349 /nfs/dbraw/zinc/29/13/49/493291349.db2.gz QIUZMKFYDUDIHQ-WBVHZDCISA-N 2 2 366.506 0.156 10 0 FCAELP CN(C(=O)C(=O)NCC[C@@H]1CCOC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673114745 493291351 /nfs/dbraw/zinc/29/13/51/493291351.db2.gz QIUZMKFYDUDIHQ-WBVHZDCISA-N 2 2 366.506 0.156 10 0 FCAELP CCN1OC[C@@H]([NH+]2CCC(C(=O)NCCC[NH+](CC)CC)CC2)C1=O ZINC000659844449 493295291 /nfs/dbraw/zinc/29/52/91/493295291.db2.gz LLFYORKFCJSPSM-MRXNPFEDSA-N 2 2 354.495 0.709 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000660861464 493388269 /nfs/dbraw/zinc/38/82/69/493388269.db2.gz NEYIORYGZNKETE-FQEVSTJZSA-N 2 2 371.485 0.593 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000660861464 493388271 /nfs/dbraw/zinc/38/82/71/493388271.db2.gz NEYIORYGZNKETE-FQEVSTJZSA-N 2 2 371.485 0.593 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N[C@H]3COC(C)(C)C3)CC2)CC1 ZINC000668720710 493401287 /nfs/dbraw/zinc/40/12/87/493401287.db2.gz BCNPZVHPEDNGRZ-OAHLLOKOSA-N 2 2 366.506 0.345 10 0 FCAELP CCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1 ZINC000661011952 493401968 /nfs/dbraw/zinc/40/19/68/493401968.db2.gz LTRKHTYKNYKSRI-GJZGRUSLSA-N 2 2 362.478 0.695 10 0 FCAELP CCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1 ZINC000661011952 493401971 /nfs/dbraw/zinc/40/19/71/493401971.db2.gz LTRKHTYKNYKSRI-GJZGRUSLSA-N 2 2 362.478 0.695 10 0 FCAELP CCN(C(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)[C@H]1CC[N@H+](CC)C1 ZINC000668828928 493417654 /nfs/dbraw/zinc/41/76/54/493417654.db2.gz ILVSWHGDDXTJBF-JYJNAYRXSA-N 2 2 354.495 0.155 10 0 FCAELP CCN(C(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)[C@H]1CC[N@@H+](CC)C1 ZINC000668828928 493417659 /nfs/dbraw/zinc/41/76/59/493417659.db2.gz ILVSWHGDDXTJBF-JYJNAYRXSA-N 2 2 354.495 0.155 10 0 FCAELP CCN(C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@@H]1CC[N@H+](C)C1 ZINC000668891942 493429519 /nfs/dbraw/zinc/42/95/19/493429519.db2.gz VPAQPROPSZRRBX-BRWVUGGUSA-N 2 2 366.506 0.299 10 0 FCAELP CCN(C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000668891942 493429521 /nfs/dbraw/zinc/42/95/21/493429521.db2.gz VPAQPROPSZRRBX-BRWVUGGUSA-N 2 2 366.506 0.299 10 0 FCAELP C[C@@H]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)O1 ZINC000668910424 493435873 /nfs/dbraw/zinc/43/58/73/493435873.db2.gz HVVGSHKTAWULPH-BFYDXBDKSA-N 2 2 366.506 0.345 10 0 FCAELP C[C@@H]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)O1 ZINC000668910424 493435875 /nfs/dbraw/zinc/43/58/75/493435875.db2.gz HVVGSHKTAWULPH-BFYDXBDKSA-N 2 2 366.506 0.345 10 0 FCAELP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cscn1 ZINC000668910378 493435913 /nfs/dbraw/zinc/43/59/13/493435913.db2.gz HIKZDWDTBBJEBX-CHWSQXEVSA-N 2 2 365.503 0.605 10 0 FCAELP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cscn1 ZINC000668910378 493435915 /nfs/dbraw/zinc/43/59/15/493435915.db2.gz HIKZDWDTBBJEBX-CHWSQXEVSA-N 2 2 365.503 0.605 10 0 FCAELP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661717663 493461735 /nfs/dbraw/zinc/46/17/35/493461735.db2.gz GPZQKTZEBGXBQP-NBHGPNQESA-N 2 2 373.497 0.980 10 0 FCAELP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661717663 493461737 /nfs/dbraw/zinc/46/17/37/493461737.db2.gz GPZQKTZEBGXBQP-NBHGPNQESA-N 2 2 373.497 0.980 10 0 FCAELP O=S(=O)(c1ccccc1)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662249883 493500106 /nfs/dbraw/zinc/50/01/06/493500106.db2.gz UFATZXXSPKAKLP-OAHLLOKOSA-N 2 2 351.472 0.514 10 0 FCAELP CCCCn1nnnc1C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662335292 493507573 /nfs/dbraw/zinc/50/75/73/493507573.db2.gz JMXJBEOOKWSTJL-OAHLLOKOSA-N 2 2 373.509 0.986 10 0 FCAELP CCCCn1nnnc1C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662335292 493507576 /nfs/dbraw/zinc/50/75/76/493507576.db2.gz JMXJBEOOKWSTJL-OAHLLOKOSA-N 2 2 373.509 0.986 10 0 FCAELP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000662356700 493509124 /nfs/dbraw/zinc/50/91/24/493509124.db2.gz UEHQSXVYOFEEBQ-INIZCTEOSA-N 2 2 363.458 0.854 10 0 FCAELP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662406033 493513438 /nfs/dbraw/zinc/51/34/38/493513438.db2.gz SHAHAKSXVHPVCO-SUMWQHHRSA-N 2 2 365.503 0.424 10 0 FCAELP C[C@H](NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[C@H](C)[NH+]1CCOCC1 ZINC000676094567 493523456 /nfs/dbraw/zinc/52/34/56/493523456.db2.gz JZJCWFLHRSEOCV-KBPBESRZSA-N 2 2 372.429 0.431 10 0 FCAELP O=C(NCCCCn1cc[nH+]c1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676092596 493523555 /nfs/dbraw/zinc/52/35/55/493523555.db2.gz JBURVIGXHBRUCT-UHFFFAOYSA-N 2 2 353.386 0.999 10 0 FCAELP O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662704476 493533414 /nfs/dbraw/zinc/53/34/14/493533414.db2.gz IPTAUIRHLMHGME-MRXNPFEDSA-N 2 2 362.478 0.387 10 0 FCAELP CCN1CC[C@@H](NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1=O ZINC000670046546 493543126 /nfs/dbraw/zinc/54/31/26/493543126.db2.gz OKSULIAVDHYZPE-FCLJQHQZSA-N 2 2 363.506 0.560 10 0 FCAELP CCN1CC[C@@H](NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1=O ZINC000670046546 493543127 /nfs/dbraw/zinc/54/31/27/493543127.db2.gz OKSULIAVDHYZPE-FCLJQHQZSA-N 2 2 363.506 0.560 10 0 FCAELP CCN1CC[C@@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000670190794 493551926 /nfs/dbraw/zinc/55/19/26/493551926.db2.gz VBKMLLIUNKMHLI-HZPDHXFCSA-N 2 2 351.495 0.417 10 0 FCAELP CCN1CC[C@@H](NC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000670190794 493551928 /nfs/dbraw/zinc/55/19/28/493551928.db2.gz VBKMLLIUNKMHLI-HZPDHXFCSA-N 2 2 351.495 0.417 10 0 FCAELP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[C@H]1F ZINC000662923020 493554011 /nfs/dbraw/zinc/55/40/11/493554011.db2.gz PJUBXULMHADVDP-ZIAGYGMSSA-N 2 2 354.451 0.290 10 0 FCAELP Cc1cc(CN(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000670435906 493566699 /nfs/dbraw/zinc/56/66/99/493566699.db2.gz IFKLKHLBZOIDIS-CQSZACIVSA-N 2 2 363.462 0.226 10 0 FCAELP Cc1cc(CN(C)C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000670435906 493566700 /nfs/dbraw/zinc/56/67/00/493566700.db2.gz IFKLKHLBZOIDIS-CQSZACIVSA-N 2 2 363.462 0.226 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)CC2 ZINC000670671799 493587243 /nfs/dbraw/zinc/58/72/43/493587243.db2.gz HFXYQXMZKPABFX-HNNXBMFYSA-N 2 2 363.462 0.007 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)CC2 ZINC000670671799 493587245 /nfs/dbraw/zinc/58/72/45/493587245.db2.gz HFXYQXMZKPABFX-HNNXBMFYSA-N 2 2 363.462 0.007 10 0 FCAELP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cn1 ZINC000677466842 493603544 /nfs/dbraw/zinc/60/35/44/493603544.db2.gz XZHFVCITELFRBL-QGZVFWFLSA-N 2 2 370.457 0.686 10 0 FCAELP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cn1 ZINC000677466842 493603546 /nfs/dbraw/zinc/60/35/46/493603546.db2.gz XZHFVCITELFRBL-QGZVFWFLSA-N 2 2 370.457 0.686 10 0 FCAELP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000670907753 493610652 /nfs/dbraw/zinc/61/06/52/493610652.db2.gz XTLNFPKZATZRQW-QGZVFWFLSA-N 2 2 355.442 0.758 10 0 FCAELP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000670907753 493610655 /nfs/dbraw/zinc/61/06/55/493610655.db2.gz XTLNFPKZATZRQW-QGZVFWFLSA-N 2 2 355.442 0.758 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCn1c2ccccc2oc1=O ZINC000664018746 493630668 /nfs/dbraw/zinc/63/06/68/493630668.db2.gz DGCHTFGNUOXZLC-UHFFFAOYSA-N 2 2 363.462 0.777 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCn1c2ccccc2oc1=O ZINC000664018746 493630669 /nfs/dbraw/zinc/63/06/69/493630669.db2.gz DGCHTFGNUOXZLC-UHFFFAOYSA-N 2 2 363.462 0.777 10 0 FCAELP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000664065931 493634213 /nfs/dbraw/zinc/63/42/13/493634213.db2.gz PMZUPRVCOCTIEC-GOSISDBHSA-N 2 2 368.522 0.851 10 0 FCAELP COCC[N@H+]1CCC[C@@H]1CNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000664065931 493634215 /nfs/dbraw/zinc/63/42/15/493634215.db2.gz PMZUPRVCOCTIEC-GOSISDBHSA-N 2 2 368.522 0.851 10 0 FCAELP C[C@@H](O)[C@@H]1CCN(c2cc(NCC[N@H+](C)CCC[NH+](C)C)nc[nH+]2)C1 ZINC000664245274 493647229 /nfs/dbraw/zinc/64/72/29/493647229.db2.gz OGVJSKNSGUNSSX-HZPDHXFCSA-N 3 2 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369.579 0.893 10 0 FCAELP C[NH+]1CCC(CNC(=O)N2CCOC[C@H]2CO)([NH+]2CCCCC2)CC1 ZINC000920605356 667248585 /nfs/dbraw/zinc/24/85/85/667248585.db2.gz ZHHAGVJZRFBHLO-MRXNPFEDSA-N 2 2 354.495 0.339 10 0 FCAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H]3CSCN3C(C)=O)CC2)CC1 ZINC000422014621 667597762 /nfs/dbraw/zinc/59/77/62/667597762.db2.gz ZNIRBKZTQYHMET-QGZVFWFLSA-N 2 2 368.547 0.926 10 0 FCAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H]3CSCN3C(C)=O)CC2)CC1 ZINC000422014621 667597766 /nfs/dbraw/zinc/59/77/66/667597766.db2.gz ZNIRBKZTQYHMET-QGZVFWFLSA-N 2 2 368.547 0.926 10 0 FCAELP C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@H+](C)[C@@H](C)C3)C2)CC[NH+]1C ZINC000839693728 667719775 /nfs/dbraw/zinc/71/97/75/667719775.db2.gz QOEMXBRTAVVLQU-LUKYLMHMSA-N 2 2 350.507 0.728 10 0 FCAELP C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@@H+](C)[C@@H](C)C3)C2)CC[NH+]1C ZINC000839693728 667719777 /nfs/dbraw/zinc/71/97/77/667719777.db2.gz QOEMXBRTAVVLQU-LUKYLMHMSA-N 2 2 350.507 0.728 10 0 FCAELP C[C@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@H+](C)[C@@H](C)C3)C2)CC[NH+]1C ZINC000839693728 667719780 /nfs/dbraw/zinc/71/97/80/667719780.db2.gz QOEMXBRTAVVLQU-LUKYLMHMSA-N 2 2 350.507 0.728 10 0 FCAELP C[C@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@@H+](C)[C@@H](C)C3)C2)CC[NH+]1C ZINC000839693728 667719784 /nfs/dbraw/zinc/71/97/84/667719784.db2.gz QOEMXBRTAVVLQU-LUKYLMHMSA-N 2 2 350.507 0.728 10 0 FCAELP CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH+]2CCC3(CC[NH2+]3)CC2)CCC1 ZINC000923380898 667829698 /nfs/dbraw/zinc/82/96/98/667829698.db2.gz KAXNWHOTPPJHDY-AWEZNQCLSA-N 2 2 359.536 0.816 10 0 FCAELP C[C@@H](CNS(=O)(=O)[C@H]1CCC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000923589351 667853092 /nfs/dbraw/zinc/85/30/92/667853092.db2.gz FZBQIEJEFLATRU-WMZOPIPTSA-N 2 2 366.531 0.869 10 0 FCAELP CN(CCC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1cc[nH+]cc1 ZINC000779485472 668422046 /nfs/dbraw/zinc/42/20/46/668422046.db2.gz SAARNXLRFIVTQD-UHFFFAOYSA-N 2 2 368.503 0.533 10 0 FCAELP COc1cc(OC)c(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c(OC)c1 ZINC000818966066 668966094 /nfs/dbraw/zinc/96/60/94/668966094.db2.gz YQYQSVUGYITMHW-CQSZACIVSA-N 2 2 353.463 0.410 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCCCCCS(N)(=O)=O)C2)CC1 ZINC000827414396 669565910 /nfs/dbraw/zinc/56/59/10/669565910.db2.gz SUGLTQQCHSJUKC-HNNXBMFYSA-N 2 2 374.551 0.510 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCCCCCS(N)(=O)=O)C2)CC1 ZINC000827414396 669565912 /nfs/dbraw/zinc/56/59/12/669565912.db2.gz SUGLTQQCHSJUKC-HNNXBMFYSA-N 2 2 374.551 0.510 10 0 FCAELP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000827460324 669570206 /nfs/dbraw/zinc/57/02/06/669570206.db2.gz XLVSQDRPIJTPJC-KURKYZTESA-N 2 2 351.491 0.999 10 0 FCAELP O=C(NC[C@H]1CC[N@H+]1C1CCCC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000827460324 669570209 /nfs/dbraw/zinc/57/02/09/669570209.db2.gz XLVSQDRPIJTPJC-KURKYZTESA-N 2 2 351.491 0.999 10 0 FCAELP CC(C)[N@H+](C[C@@H]1CCC(=O)N1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000840186489 669646214 /nfs/dbraw/zinc/64/62/14/669646214.db2.gz BHSPTDMDXGRHDF-MAUKXSAKSA-N 2 2 350.463 0.850 10 0 FCAELP CC(C)[N@@H+](C[C@@H]1CCC(=O)N1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000840186489 669646218 /nfs/dbraw/zinc/64/62/18/669646218.db2.gz BHSPTDMDXGRHDF-MAUKXSAKSA-N 2 2 350.463 0.850 10 0 FCAELP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)C[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000847559381 671207051 /nfs/dbraw/zinc/20/70/51/671207051.db2.gz HKYWTQLJZBIGKG-LSDHHAIUSA-N 2 2 354.495 0.996 10 0 FCAELP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)C[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000847559381 671207055 /nfs/dbraw/zinc/20/70/55/671207055.db2.gz HKYWTQLJZBIGKG-LSDHHAIUSA-N 2 2 354.495 0.996 10 0 FCAELP C[C@H]1CC[NH+](CC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000847559381 671207057 /nfs/dbraw/zinc/20/70/57/671207057.db2.gz HKYWTQLJZBIGKG-LSDHHAIUSA-N 2 2 354.495 0.996 10 0 FCAELP C[C@H]1CC[NH+](CC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000847559381 671207059 /nfs/dbraw/zinc/20/70/59/671207059.db2.gz HKYWTQLJZBIGKG-LSDHHAIUSA-N 2 2 354.495 0.996 10 0 FCAELP CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000851725542 671463687 /nfs/dbraw/zinc/46/36/87/671463687.db2.gz FMLJUGIQZBDANE-CQSZACIVSA-N 2 2 351.384 0.277 10 0 FCAELP CCN(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000853709393 671555139 /nfs/dbraw/zinc/55/51/39/671555139.db2.gz IIFJVOBXXPZUFU-INIZCTEOSA-N 2 2 374.551 0.621 10 0 FCAELP CCN(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000853709393 671555140 /nfs/dbraw/zinc/55/51/40/671555140.db2.gz IIFJVOBXXPZUFU-INIZCTEOSA-N 2 2 374.551 0.621 10 0 FCAELP CCN(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[C@H]1CC[N@H+](C)C1 ZINC000853710543 671555206 /nfs/dbraw/zinc/55/52/06/671555206.db2.gz XEVNZISTCXGVLE-HNNXBMFYSA-N 2 2 360.524 0.231 10 0 FCAELP CCN(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000853710543 671555208 /nfs/dbraw/zinc/55/52/08/671555208.db2.gz XEVNZISTCXGVLE-HNNXBMFYSA-N 2 2 360.524 0.231 10 0 FCAELP Cc1cnn(C)c1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562403 675945054 /nfs/dbraw/zinc/94/50/54/675945054.db2.gz LZEYVCJCIGJOKR-GASCZTMLSA-N 2 2 353.492 0.318 10 0 FCAELP Cc1cnn(C)c1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562403 675945055 /nfs/dbraw/zinc/94/50/55/675945055.db2.gz LZEYVCJCIGJOKR-GASCZTMLSA-N 2 2 353.492 0.318 10 0 FCAELP Cc1c[nH+]cn1CC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000859982441 671859944 /nfs/dbraw/zinc/85/99/44/671859944.db2.gz SSSOQOSNTOQMCE-AWEZNQCLSA-N 2 2 351.451 0.859 10 0 FCAELP Cc1c[nH+]cn1CC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000859982441 671859947 /nfs/dbraw/zinc/85/99/47/671859947.db2.gz SSSOQOSNTOQMCE-AWEZNQCLSA-N 2 2 351.451 0.859 10 0 FCAELP Cc1[nH+]ccn1CCCC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000862645168 672060988 /nfs/dbraw/zinc/06/09/88/672060988.db2.gz VETNOEJLHLTPHH-SFHVURJKSA-N 2 2 350.463 0.704 10 0 FCAELP Cc1[nH+]ccn1CCCC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000862645168 672060992 /nfs/dbraw/zinc/06/09/92/672060992.db2.gz VETNOEJLHLTPHH-SFHVURJKSA-N 2 2 350.463 0.704 10 0 FCAELP C[NH+]1CCC(NC(=S)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1 ZINC000863210605 672104305 /nfs/dbraw/zinc/10/43/05/672104305.db2.gz MYZYEOCFQGAWPX-KRWDZBQOSA-N 2 2 356.536 0.161 10 0 FCAELP C[NH+]1CCC(NC(=S)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)CC1 ZINC000863210605 672104309 /nfs/dbraw/zinc/10/43/09/672104309.db2.gz MYZYEOCFQGAWPX-KRWDZBQOSA-N 2 2 356.536 0.161 10 0 FCAELP COCCC[N@H+](C[C@H](C[NH3+])Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000903905189 675981477 /nfs/dbraw/zinc/98/14/77/675981477.db2.gz AJTXAIHHHHNLFI-RDJZCZTQSA-N 2 2 372.535 0.372 10 0 FCAELP COCCC[N@@H+](C[C@H](C[NH3+])Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000903905189 675981479 /nfs/dbraw/zinc/98/14/79/675981479.db2.gz AJTXAIHHHHNLFI-RDJZCZTQSA-N 2 2 372.535 0.372 10 0 FCAELP CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865017004 672221907 /nfs/dbraw/zinc/22/19/07/672221907.db2.gz CQDWETQDPRYZJH-BBRMVZONSA-N 2 2 352.435 0.709 10 0 FCAELP CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865017004 672221923 /nfs/dbraw/zinc/22/19/23/672221923.db2.gz CQDWETQDPRYZJH-BBRMVZONSA-N 2 2 352.435 0.709 10 0 FCAELP O=C1C[C@H]([NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)CN1CC[NH+]1CCOCC1 ZINC000866299073 672267406 /nfs/dbraw/zinc/26/74/06/672267406.db2.gz IASILFPIJDDKLK-LNLFQRSKSA-N 2 2 351.491 0.857 10 0 FCAELP C[C@H](C(=O)NCc1cccs1)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866708869 672290399 /nfs/dbraw/zinc/29/03/99/672290399.db2.gz PVYBKAQGEOHYDY-OSRDXIQISA-N 2 2 364.471 0.620 10 0 FCAELP C[C@H](C(=O)NCc1cccs1)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866708869 672290401 /nfs/dbraw/zinc/29/04/01/672290401.db2.gz PVYBKAQGEOHYDY-OSRDXIQISA-N 2 2 364.471 0.620 10 0 FCAELP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000866714468 672291688 /nfs/dbraw/zinc/29/16/88/672291688.db2.gz PNAUTABVJHZWRZ-QCNOEVLYSA-N 2 2 362.352 0.017 10 0 FCAELP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000866714468 672291694 /nfs/dbraw/zinc/29/16/94/672291694.db2.gz PNAUTABVJHZWRZ-QCNOEVLYSA-N 2 2 362.352 0.017 10 0 FCAELP CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CC[NH2+]CC[NH2+]CC1 ZINC000923693185 673734735 /nfs/dbraw/zinc/73/47/35/673734735.db2.gz WTYYBGTZPJTGEJ-UHFFFAOYSA-N 2 2 364.874 0.651 10 0 FCAELP C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)[C@@H](C)CO1 ZINC000925174202 673782252 /nfs/dbraw/zinc/78/22/52/673782252.db2.gz BVBYWXCKMLAPJM-JJXSEGSLSA-N 2 2 356.536 0.975 10 0 FCAELP C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)[C@@H](C)CO1 ZINC000925174202 673782253 /nfs/dbraw/zinc/78/22/53/673782253.db2.gz BVBYWXCKMLAPJM-JJXSEGSLSA-N 2 2 356.536 0.975 10 0 FCAELP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)[C@@H](C)CO1 ZINC000925174202 673782254 /nfs/dbraw/zinc/78/22/54/673782254.db2.gz BVBYWXCKMLAPJM-JJXSEGSLSA-N 2 2 356.536 0.975 10 0 FCAELP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)[C@@H](C)CO1 ZINC000925174202 673782255 /nfs/dbraw/zinc/78/22/55/673782255.db2.gz BVBYWXCKMLAPJM-JJXSEGSLSA-N 2 2 356.536 0.975 10 0 FCAELP C[NH+]1CCC(CN2C(=O)N[C@]3(CCOC3)C2=O)([NH+]2CCCCC2)CC1 ZINC000925328109 673787186 /nfs/dbraw/zinc/78/71/86/673787186.db2.gz UHTLYWKTIHFYGU-SFHVURJKSA-N 2 2 350.463 0.648 10 0 FCAELP CN(CCO)S(=O)(=O)c1ccccc1C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925620420 673797425 /nfs/dbraw/zinc/79/74/25/673797425.db2.gz WEJPUDQJVYZEMG-CVEARBPZSA-N 2 2 353.488 0.659 10 0 FCAELP CC[NH+]1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]CC3)CC2)CC1 ZINC000926281240 673819939 /nfs/dbraw/zinc/81/99/39/673819939.db2.gz MTWCSOIKQLAJSH-MRXNPFEDSA-N 2 2 350.507 0.779 10 0 FCAELP CN(C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000927636539 673873015 /nfs/dbraw/zinc/87/30/15/673873015.db2.gz YVYQWRKEADXAIR-ULQDDVLXSA-N 2 2 352.479 0.354 10 0 FCAELP 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CC(C)NC(=O)NCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001482058198 1187595280 /nfs/dbraw/zinc/59/52/80/1187595280.db2.gz PROAITDHIPXYRY-RBSFLKMASA-N 2 2 362.478 0.801 10 0 FCAELP CC(C)NC(=O)NCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001482058198 1187595282 /nfs/dbraw/zinc/59/52/82/1187595282.db2.gz PROAITDHIPXYRY-RBSFLKMASA-N 2 2 362.478 0.801 10 0 FCAELP COc1nccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n1 ZINC001482334335 1188321486 /nfs/dbraw/zinc/32/14/86/1188321486.db2.gz PWYWHTMOWCFIKB-NWANDNLSSA-N 2 2 358.446 0.959 10 0 FCAELP C[C@@H](C[NH2+]Cc1ccn(C)c(=O)c1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001482334361 1188321872 /nfs/dbraw/zinc/32/18/72/1188321872.db2.gz QINQLDWZXIYBDI-NUEKZKHPSA-N 2 2 357.458 0.859 10 0 FCAELP C[NH+]1CCN(Cc2ccc(CNC(=O)C3C[NH+]([C@H]4CCOC4)C3)cc2)CC1 ZINC000895740350 1189880048 /nfs/dbraw/zinc/88/00/48/1189880048.db2.gz RTSDIPNCGFLRGX-FQEVSTJZSA-N 2 2 372.513 0.771 10 0 FCAELP CN1CC[NH+](Cc2ccc(CNC(=O)C3C[NH+]([C@H]4CCOC4)C3)cc2)CC1 ZINC000895740350 1189880051 /nfs/dbraw/zinc/88/00/51/1189880051.db2.gz RTSDIPNCGFLRGX-FQEVSTJZSA-N 2 2 372.513 0.771 10 0 FCAELP C[NH+]1CCC(CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)([NH+]2CCCCC2)CC1 ZINC000896692485 1190116382 /nfs/dbraw/zinc/11/63/82/1190116382.db2.gz FADRDHDNQVBPOJ-SFHVURJKSA-N 3 2 364.534 0.774 10 0 FCAELP CCC(CC)[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1CC)[NH+]1CCOCC1 ZINC000897400577 1191102400 /nfs/dbraw/zinc/10/24/00/1191102400.db2.gz ACOUOOFYUPOONO-IRXDYDNUSA-N 2 2 368.522 0.450 10 0 FCAELP CCC(CC)[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1CC)[NH+]1CCOCC1 ZINC000897400577 1191102402 /nfs/dbraw/zinc/10/24/02/1191102402.db2.gz ACOUOOFYUPOONO-IRXDYDNUSA-N 2 2 368.522 0.450 10 0 FCAELP CC1=CC[N@H+](CCNC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000551333900 1193850454 /nfs/dbraw/zinc/85/04/54/1193850454.db2.gz JZXLVYJPIFTVAB-UHFFFAOYSA-N 2 2 359.474 0.646 10 0 FCAELP CC1=CC[N@@H+](CCNC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 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0.985 10 0 FCAELP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001489481154 1208858715 /nfs/dbraw/zinc/85/87/15/1208858715.db2.gz YPNIYYVNVLSGKX-CZUORRHYSA-N 2 2 358.446 0.521 10 0 FCAELP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001490344066 1209308254 /nfs/dbraw/zinc/30/82/54/1209308254.db2.gz AKCHNQGFEYUXNQ-OAGGEKHMSA-N 2 2 361.490 0.658 10 0 FCAELP [NH3+]C[C@@H]1CC(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)=NO1 ZINC000852862423 1209568380 /nfs/dbraw/zinc/56/83/80/1209568380.db2.gz DJFFEQLBLJKYIC-INIZCTEOSA-N 2 2 362.430 0.117 10 0 FCAELP COc1cccc(OCC[NH+]2CCN(C(=O)C3=NO[C@H](C[NH3+])C3)CC2)c1 ZINC000852886366 1209572801 /nfs/dbraw/zinc/57/28/01/1209572801.db2.gz KQKILBUOGLNZCK-INIZCTEOSA-N 2 2 362.430 0.322 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000853742002 1209604779 /nfs/dbraw/zinc/60/47/79/1209604779.db2.gz WHGFPUGNASYYSI-SFHVURJKSA-N 3 2 369.554 0.813 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000853742002 1209604783 /nfs/dbraw/zinc/60/47/83/1209604783.db2.gz WHGFPUGNASYYSI-SFHVURJKSA-N 3 2 369.554 0.813 10 0 FCAELP O=C(NCCCn1cc[nH+]c1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861547069 1209870782 /nfs/dbraw/zinc/87/07/82/1209870782.db2.gz BHALCXBOMIPVNK-CABCVRRESA-N 2 2 362.434 0.240 10 0 FCAELP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](Cc2nc(-c3ccccn3)no2)CC1 ZINC000863549314 1209944559 /nfs/dbraw/zinc/94/45/59/1209944559.db2.gz IDRLLJYWCNZUKJ-LSDHHAIUSA-N 2 2 370.413 0.889 10 0 FCAELP C[C@H]([C@H](C)NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)[NH+]1CCOCC1 ZINC000865178942 1209973704 /nfs/dbraw/zinc/97/37/04/1209973704.db2.gz JSXHXKQDJYOMLV-ZNMIVQPWSA-N 2 2 372.510 0.667 10 0 FCAELP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C ZINC000865203199 1209975185 /nfs/dbraw/zinc/97/51/85/1209975185.db2.gz SSXIWCQXMFJBML-CABCVRRESA-N 2 2 371.526 0.193 10 0 FCAELP CO[C@H](C(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000865727723 1209983104 /nfs/dbraw/zinc/98/31/04/1209983104.db2.gz GGRYPPSDBJYIAZ-CVEARBPZSA-N 2 2 369.506 0.970 10 0 FCAELP CO[C@H](C(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000865727723 1209983108 /nfs/dbraw/zinc/98/31/08/1209983108.db2.gz GGRYPPSDBJYIAZ-CVEARBPZSA-N 2 2 369.506 0.970 10 0 FCAELP Cc1nn(-c2cccnc2)nc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000865749639 1209983604 /nfs/dbraw/zinc/98/36/04/1209983604.db2.gz USKOCTFVGXZJQP-OAHLLOKOSA-N 2 2 369.473 0.869 10 0 FCAELP Cc1nn(-c2cccnc2)nc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000865749639 1209983606 /nfs/dbraw/zinc/98/36/06/1209983606.db2.gz USKOCTFVGXZJQP-OAHLLOKOSA-N 2 2 369.473 0.869 10 0 FCAELP O=C(C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)NCCOc1ccccc1 ZINC000866708977 1210003140 /nfs/dbraw/zinc/00/31/40/1210003140.db2.gz QROGKSHONOQCAY-OIISXLGYSA-N 2 2 374.441 0.049 10 0 FCAELP O=C(C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)NCCOc1ccccc1 ZINC000866708977 1210003144 /nfs/dbraw/zinc/00/31/44/1210003144.db2.gz QROGKSHONOQCAY-OIISXLGYSA-N 2 2 374.441 0.049 10 0 FCAELP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)C1 ZINC000867578929 1210015336 /nfs/dbraw/zinc/01/53/36/1210015336.db2.gz VPAQWQVLYSSCLD-OAGGEKHMSA-N 2 2 359.474 0.679 10 0 FCAELP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)C1 ZINC000867578929 1210015341 /nfs/dbraw/zinc/01/53/41/1210015341.db2.gz VPAQWQVLYSSCLD-OAGGEKHMSA-N 2 2 359.474 0.679 10 0 FCAELP O=C(Nc1ccn2cc[nH+]c2c1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000868155392 1210042609 /nfs/dbraw/zinc/04/26/09/1210042609.db2.gz QXLGINXTMJMRQE-MJBXVCDLSA-N 2 2 356.386 0.733 10 0 FCAELP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CCC[C@@H]4[NH2+]CC[C@@H]43)CC2)c1 ZINC000868420454 1210065164 /nfs/dbraw/zinc/06/51/64/1210065164.db2.gz WPJYPKPQRKSLRK-OALUTQOASA-N 2 2 370.497 0.992 10 0 FCAELP C[C@@H]1C[N@H+](CCNC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)[C@@H](C)CO1 ZINC000869243677 1210087358 /nfs/dbraw/zinc/08/73/58/1210087358.db2.gz RTLDELXBQHGEKL-ZNMIVQPWSA-N 2 2 372.510 0.667 10 0 FCAELP C[C@@H]1C[N@@H+](CCNC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)[C@@H](C)CO1 ZINC000869243677 1210087363 /nfs/dbraw/zinc/08/73/63/1210087363.db2.gz RTLDELXBQHGEKL-ZNMIVQPWSA-N 2 2 372.510 0.667 10 0 FCAELP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000870977249 1210123884 /nfs/dbraw/zinc/12/38/84/1210123884.db2.gz CPJQZDBMESUIPD-SJORKVTESA-N 2 2 363.458 0.593 10 0 FCAELP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000870977249 1210123888 /nfs/dbraw/zinc/12/38/88/1210123888.db2.gz CPJQZDBMESUIPD-SJORKVTESA-N 2 2 363.458 0.593 10 0 FCAELP [NH3+][C@H](C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1c(F)cccc1F ZINC000870997249 1210125160 /nfs/dbraw/zinc/12/51/60/1210125160.db2.gz LPOVRRIMPCKXAN-AETLKFDBSA-N 2 2 366.368 0.358 10 0 FCAELP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CC[C@@H](O)[C@@H](O)C3)CC2)cc1 ZINC000879610326 1210491655 /nfs/dbraw/zinc/49/16/55/1210491655.db2.gz QLYMOBWXJFBVSY-MOPGFXCFSA-N 2 2 361.486 0.457 10 0 FCAELP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CC[C@@H](O)[C@@H](O)C3)CC2)cc1 ZINC000879610326 1210491657 /nfs/dbraw/zinc/49/16/57/1210491657.db2.gz QLYMOBWXJFBVSY-MOPGFXCFSA-N 2 2 361.486 0.457 10 0 FCAELP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CC[C@@H](O)[C@@H](O)C3)CC2)cc1 ZINC000879610326 1210491663 /nfs/dbraw/zinc/49/16/63/1210491663.db2.gz QLYMOBWXJFBVSY-MOPGFXCFSA-N 2 2 361.486 0.457 10 0 FCAELP O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000924572929 1211474103 /nfs/dbraw/zinc/47/41/03/1211474103.db2.gz GGFLKOAGZAYPDK-SFHVURJKSA-N 2 2 359.470 0.904 10 0 FCAELP Cc1ccc(C[N@@H+]2CCO[C@H](CN3C(=O)N[C@H](C[NH+](C)C)C3=O)C2)cc1 ZINC000925046034 1211489354 /nfs/dbraw/zinc/48/93/54/1211489354.db2.gz NSOQDTUNULJWDN-DLBZAZTESA-N 2 2 360.458 0.678 10 0 FCAELP Cc1ccc(C[N@H+]2CCO[C@H](CN3C(=O)N[C@H](C[NH+](C)C)C3=O)C2)cc1 ZINC000925046034 1211489355 /nfs/dbraw/zinc/48/93/55/1211489355.db2.gz NSOQDTUNULJWDN-DLBZAZTESA-N 2 2 360.458 0.678 10 0 FCAELP c1nc(N2CCC[C@@H]([NH2+][C@H]3CN4C[C@@H]3CCC4)C2)cc(N2CCOCC2)[nH+]1 ZINC000925397274 1211498690 /nfs/dbraw/zinc/49/86/90/1211498690.db2.gz PINFOBAXOFZOFU-KSZLIROESA-N 2 2 372.517 0.966 10 0 FCAELP Cc1nc(N2CCOCC2)ccc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000926070014 1211514706 /nfs/dbraw/zinc/51/47/06/1211514706.db2.gz DQCOJNQKHFEMCY-UHFFFAOYSA-N 2 2 362.478 0.771 10 0 FCAELP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC000926366026 1211540532 /nfs/dbraw/zinc/54/05/32/1211540532.db2.gz HTSGHMGFYSVAOZ-BEFAXECRSA-N 2 2 359.474 0.871 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)CC[C@@H]1C[NH3+] ZINC000926390295 1211544549 /nfs/dbraw/zinc/54/45/49/1211544549.db2.gz YKOYNIGAPZEPTG-QRQLOZEOSA-N 2 2 372.513 0.815 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)CC[C@@H]1C[NH3+] ZINC000926390295 1211544556 /nfs/dbraw/zinc/54/45/56/1211544556.db2.gz YKOYNIGAPZEPTG-QRQLOZEOSA-N 2 2 372.513 0.815 10 0 FCAELP CN(C(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000926664516 1211553633 /nfs/dbraw/zinc/55/36/33/1211553633.db2.gz WTFUKWKTLKDGJC-UBDQQSCGSA-N 2 2 366.506 0.600 10 0 FCAELP CN(C(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000926664516 1211553635 /nfs/dbraw/zinc/55/36/35/1211553635.db2.gz WTFUKWKTLKDGJC-UBDQQSCGSA-N 2 2 366.506 0.600 10 0 FCAELP CCO[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C[NH+](C)C ZINC000926842803 1211557079 /nfs/dbraw/zinc/55/70/79/1211557079.db2.gz SKVLVVTYGKJGBG-ROUUACIJSA-N 3 2 369.554 0.763 10 0 FCAELP CCO[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C[NH+](C)C ZINC000926842803 1211557085 /nfs/dbraw/zinc/55/70/85/1211557085.db2.gz SKVLVVTYGKJGBG-ROUUACIJSA-N 3 2 369.554 0.763 10 0 FCAELP Cc1cc(N2CC[NH+](C[C@@H](O)C3(O)CCOCC3)CC2)nc(C(C)C)[nH+]1 ZINC000929240529 1211624930 /nfs/dbraw/zinc/62/49/30/1211624930.db2.gz LTIIJLRLHZBEAJ-MRXNPFEDSA-N 2 2 364.490 0.933 10 0 FCAELP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H](C)O1 ZINC000929630122 1211651885 /nfs/dbraw/zinc/65/18/85/1211651885.db2.gz BKLHPZZXUYRPNG-XDNAFOTISA-N 2 2 369.506 0.482 10 0 FCAELP C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H](C)O1 ZINC000929630122 1211651887 /nfs/dbraw/zinc/65/18/87/1211651887.db2.gz BKLHPZZXUYRPNG-XDNAFOTISA-N 2 2 369.506 0.482 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N1CCC12CC[NH+](C)CC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000930947757 1211730222 /nfs/dbraw/zinc/73/02/22/1211730222.db2.gz DHVRWDRMRJWMRH-HRCADAONSA-N 2 2 366.506 0.297 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N1CCC12CC[NH+](C)CC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000930947757 1211730223 /nfs/dbraw/zinc/73/02/23/1211730223.db2.gz DHVRWDRMRJWMRH-HRCADAONSA-N 2 2 366.506 0.297 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[N@H+](C)[C@@H](CO)C2)CC1 ZINC000931408350 1211754604 /nfs/dbraw/zinc/75/46/04/1211754604.db2.gz AUABPLOJDYYNPS-IEBWSBKVSA-N 2 2 360.502 0.500 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[N@@H+](C)[C@@H](CO)C2)CC1 ZINC000931408350 1211754605 /nfs/dbraw/zinc/75/46/05/1211754605.db2.gz AUABPLOJDYYNPS-IEBWSBKVSA-N 2 2 360.502 0.500 10 0 FCAELP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[N@@H+](C)[C@H](CO)C2)CC1 ZINC000931410650 1211754655 /nfs/dbraw/zinc/75/46/55/1211754655.db2.gz YGYPVIASZGNOCJ-IBGZPJMESA-N 2 2 360.502 0.248 10 0 FCAELP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[N@H+](C)[C@H](CO)C2)CC1 ZINC000931410650 1211754657 /nfs/dbraw/zinc/75/46/57/1211754657.db2.gz YGYPVIASZGNOCJ-IBGZPJMESA-N 2 2 360.502 0.248 10 0 FCAELP COC1(OC)CC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1O ZINC000931635606 1211765988 /nfs/dbraw/zinc/76/59/88/1211765988.db2.gz OQFBOMIBOLZSRT-SJORKVTESA-N 2 2 365.474 0.461 10 0 FCAELP COC1(OC)CC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1O ZINC000931635606 1211765990 /nfs/dbraw/zinc/76/59/90/1211765990.db2.gz OQFBOMIBOLZSRT-SJORKVTESA-N 2 2 365.474 0.461 10 0 FCAELP CC1(C)CNC(=O)[C@@H]1[NH2+]CC(C[NH2+][C@H]1C(=O)NCC1(C)C)c1ccccc1 ZINC000931652610 1211768639 /nfs/dbraw/zinc/76/86/39/1211768639.db2.gz PPNLWVQXKYKDEK-IRXDYDNUSA-N 2 2 372.513 0.999 10 0 FCAELP C[N@@H+]1CCC[C@@](O)(CC(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000900014141 1217955135 /nfs/dbraw/zinc/95/51/35/1217955135.db2.gz VQTCVEQFDLWJAY-UYAOXDASSA-N 2 2 361.486 0.850 10 0 FCAELP C[N@H+]1CCC[C@@](O)(CC(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000900014141 1217955140 /nfs/dbraw/zinc/95/51/40/1217955140.db2.gz VQTCVEQFDLWJAY-UYAOXDASSA-N 2 2 361.486 0.850 10 0 FCAELP C[NH+]1CCC[C@@](O)(CC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000900014141 1217955145 /nfs/dbraw/zinc/95/51/45/1217955145.db2.gz VQTCVEQFDLWJAY-UYAOXDASSA-N 2 2 361.486 0.850 10 0 FCAELP C[NH+]1CCC[C@@](O)(CC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000900014141 1217955147 /nfs/dbraw/zinc/95/51/47/1217955147.db2.gz VQTCVEQFDLWJAY-UYAOXDASSA-N 2 2 361.486 0.850 10 0 FCAELP C/C(=C/C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C[NH+]1CCOCC1 ZINC000900497490 1217998575 /nfs/dbraw/zinc/99/85/75/1217998575.db2.gz ORSMOAYLSFKRLA-WAIALKQBSA-N 2 2 366.506 0.324 10 0 FCAELP C/C(=C/C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C[NH+]1CCOCC1 ZINC000900497490 1217998578 /nfs/dbraw/zinc/99/85/78/1217998578.db2.gz ORSMOAYLSFKRLA-WAIALKQBSA-N 2 2 366.506 0.324 10 0 FCAELP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900744023 1218032792 /nfs/dbraw/zinc/03/27/92/1218032792.db2.gz YPUFNHKHWYLGFA-IXDOHACOSA-N 2 2 364.490 0.053 10 0 FCAELP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000900744023 1218032796 /nfs/dbraw/zinc/03/27/96/1218032796.db2.gz YPUFNHKHWYLGFA-IXDOHACOSA-N 2 2 364.490 0.053 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)C[C@H]1CC[NH3+] ZINC000903716351 1218505175 /nfs/dbraw/zinc/50/51/75/1218505175.db2.gz XHQSPMWGCBFFJO-NXHRZFHOSA-N 2 2 358.486 0.945 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)C[C@H]1CC[NH3+] ZINC000903716351 1218505182 /nfs/dbraw/zinc/50/51/82/1218505182.db2.gz XHQSPMWGCBFFJO-NXHRZFHOSA-N 2 2 358.486 0.945 10 0 FCAELP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)C1 ZINC000903760229 1218519334 /nfs/dbraw/zinc/51/93/34/1218519334.db2.gz RHUAOMMMZUTHQW-UTUOFQBUSA-N 2 2 373.379 0.474 10 0 FCAELP CCN(C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1)[C@H]1CC[N@H+](C)C1 ZINC000826926935 1218912002 /nfs/dbraw/zinc/91/20/02/1218912002.db2.gz RJDZRFQVESFGBO-INIZCTEOSA-N 2 2 370.457 0.745 10 0 FCAELP CCN(C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1)[C@H]1CC[N@@H+](C)C1 ZINC000826926935 1218912008 /nfs/dbraw/zinc/91/20/08/1218912008.db2.gz RJDZRFQVESFGBO-INIZCTEOSA-N 2 2 370.457 0.745 10 0 FCAELP O=C(N[C@@H]1[C@H]2C[N@H+](CCOC[C@@H]3CCCO3)C[C@H]21)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001491317836 1220110311 /nfs/dbraw/zinc/11/03/11/1220110311.db2.gz NRMLOMJXQXAOEG-PTENTFFRSA-N 2 2 360.458 0.755 10 0 FCAELP O=C(N[C@@H]1[C@H]2C[N@@H+](CCOC[C@@H]3CCCO3)C[C@H]21)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001491317836 1220110316 /nfs/dbraw/zinc/11/03/16/1220110316.db2.gz NRMLOMJXQXAOEG-PTENTFFRSA-N 2 2 360.458 0.755 10 0 FCAELP C[NH+](C)CCN1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)CC1=O ZINC001118270260 1221748407 /nfs/dbraw/zinc/74/84/07/1221748407.db2.gz XATJMYGIKONIAE-SFHVURJKSA-N 2 2 373.501 0.669 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC[C@@]3(C)CC3(F)F)C2)CC1 ZINC001118615728 1221808938 /nfs/dbraw/zinc/80/89/38/1221808938.db2.gz CCBCRSNQPGKTCC-GUYCJALGSA-N 2 2 372.460 0.823 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC[C@@]3(C)CC3(F)F)C2)CC1 ZINC001118615728 1221808940 /nfs/dbraw/zinc/80/89/40/1221808940.db2.gz CCBCRSNQPGKTCC-GUYCJALGSA-N 2 2 372.460 0.823 10 0 FCAELP C[NH+](C)[C@]1(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)COc2ccccc2C1 ZINC001123778781 1222357287 /nfs/dbraw/zinc/35/72/87/1222357287.db2.gz AFUNFQIEWAJAJF-HLIPFELVSA-N 2 2 359.470 0.589 10 0 FCAELP C[NH+](C)[C@]1(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)COc2ccccc2C1 ZINC001123778781 1222357293 /nfs/dbraw/zinc/35/72/93/1222357293.db2.gz AFUNFQIEWAJAJF-HLIPFELVSA-N 2 2 359.470 0.589 10 0 FCAELP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)[nH]n1 ZINC001142898859 1222853654 /nfs/dbraw/zinc/85/36/54/1222853654.db2.gz RJQBIIMCYMIOJA-CZUORRHYSA-N 2 2 362.478 0.494 10 0 FCAELP C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)[nH]n1 ZINC001142898859 1222853659 /nfs/dbraw/zinc/85/36/59/1222853659.db2.gz RJQBIIMCYMIOJA-CZUORRHYSA-N 2 2 362.478 0.494 10 0 FCAELP C[NH+]1CCC[C@@H]1c1cc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)[nH]n1 ZINC001142898859 1222853661 /nfs/dbraw/zinc/85/36/61/1222853661.db2.gz RJQBIIMCYMIOJA-CZUORRHYSA-N 2 2 362.478 0.494 10 0 FCAELP C[NH+]1CCC[C@@H]1c1cc(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)[nH]n1 ZINC001142898859 1222853662 /nfs/dbraw/zinc/85/36/62/1222853662.db2.gz RJQBIIMCYMIOJA-CZUORRHYSA-N 2 2 362.478 0.494 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@H]3CN(C4CC4)C(=O)O3)C2)CC1 ZINC000847319344 1245334735 /nfs/dbraw/zinc/33/47/35/1245334735.db2.gz PLHVLNLVGWWKSA-CJNGLKHVSA-N 2 2 365.478 0.437 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@H]3CN(C4CC4)C(=O)O3)C2)CC1 ZINC000847319344 1245334739 /nfs/dbraw/zinc/33/47/39/1245334739.db2.gz PLHVLNLVGWWKSA-CJNGLKHVSA-N 2 2 365.478 0.437 10 0 FCAELP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCC[NH+](C)CCC[NH+](C)C)cn1 ZINC000849606693 1245407589 /nfs/dbraw/zinc/40/75/89/1245407589.db2.gz CFUDCELUIFIBIB-ROUUACIJSA-N 3 2 364.538 0.455 10 0 FCAELP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCC[NH+](C)CCC[NH+](C)C)cn1 ZINC000849606693 1245407593 /nfs/dbraw/zinc/40/75/93/1245407593.db2.gz CFUDCELUIFIBIB-ROUUACIJSA-N 3 2 364.538 0.455 10 0 FCAELP Cn1cc([C@@H]2C[NH+](C)CC[C@@H]2C(=O)NCC[N@H+](C)CCC[NH+](C)C)cn1 ZINC000849606693 1245407599 /nfs/dbraw/zinc/40/75/99/1245407599.db2.gz CFUDCELUIFIBIB-ROUUACIJSA-N 3 2 364.538 0.455 10 0 FCAELP Cn1cc([C@@H]2C[NH+](C)CC[C@@H]2C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000849606693 1245407604 /nfs/dbraw/zinc/40/76/04/1245407604.db2.gz CFUDCELUIFIBIB-ROUUACIJSA-N 3 2 364.538 0.455 10 0 FCAELP C/C(=C/C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000901273104 1245475546 /nfs/dbraw/zinc/47/55/46/1245475546.db2.gz OUZPDRJVCKGCEZ-FRZLUIPESA-N 2 2 364.534 0.749 10 0 FCAELP C[C@@H]1[C@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@@H+]1C ZINC000915543641 1245523341 /nfs/dbraw/zinc/52/33/41/1245523341.db2.gz YEQPFTDSKVOMCQ-HZPDHXFCSA-N 2 2 374.489 0.512 10 0 FCAELP C[C@@H]1[C@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@H+]1C ZINC000915543641 1245523346 /nfs/dbraw/zinc/52/33/46/1245523346.db2.gz YEQPFTDSKVOMCQ-HZPDHXFCSA-N 2 2 374.489 0.512 10 0 FCAELP COC[C@H]1COCCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000920605365 1245626003 /nfs/dbraw/zinc/62/60/03/1245626003.db2.gz ZPZVFGAKOGTILE-KRWDZBQOSA-N 2 2 368.522 0.994 10 0 FCAELP [NH3+][C@@]1(CO)CCCN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000923478885 1245722970 /nfs/dbraw/zinc/72/29/70/1245722970.db2.gz SZWKLXGROZKNML-IBGZPJMESA-N 2 2 362.474 0.243 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCCC(F)(F)C3)C2)CC1 ZINC001328843077 1265624963 /nfs/dbraw/zinc/62/49/63/1265624963.db2.gz GVIWKKJIQYSUHA-KBPBESRZSA-N 2 2 372.460 0.965 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCCC(F)(F)C3)C2)CC1 ZINC001328843077 1265624967 /nfs/dbraw/zinc/62/49/67/1265624967.db2.gz GVIWKKJIQYSUHA-KBPBESRZSA-N 2 2 372.460 0.965 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCCC(F)(F)C3)C2)CC1 ZINC001328843083 1265625149 /nfs/dbraw/zinc/62/51/49/1265625149.db2.gz GVIWKKJIQYSUHA-UONOGXRCSA-N 2 2 372.460 0.965 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCCC(F)(F)C3)C2)CC1 ZINC001328843083 1265625159 /nfs/dbraw/zinc/62/51/59/1265625159.db2.gz GVIWKKJIQYSUHA-UONOGXRCSA-N 2 2 372.460 0.965 10 0 FCAELP Cn1cc[nH+]c1Cc1nnc(N2CC[NH+](C3CC3)CC2)n1C[C@H]1CCOC1 ZINC001519771215 1265769789 /nfs/dbraw/zinc/76/97/89/1265769789.db2.gz DNLARNSBONCYCK-OAHLLOKOSA-N 2 2 371.489 0.923 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001520612567 1265948169 /nfs/dbraw/zinc/94/81/69/1265948169.db2.gz NUEGXNNVSYGNTD-OWCLPIDISA-N 2 2 368.522 0.401 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001520612567 1265948176 /nfs/dbraw/zinc/94/81/76/1265948176.db2.gz NUEGXNNVSYGNTD-OWCLPIDISA-N 2 2 368.522 0.401 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001520612567 1265948181 /nfs/dbraw/zinc/94/81/81/1265948181.db2.gz NUEGXNNVSYGNTD-OWCLPIDISA-N 2 2 368.522 0.401 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001520612567 1265948190 /nfs/dbraw/zinc/94/81/90/1265948190.db2.gz NUEGXNNVSYGNTD-OWCLPIDISA-N 2 2 368.522 0.401 10 0 FCAELP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001335770564 1259831253 /nfs/dbraw/zinc/83/12/53/1259831253.db2.gz GYHAJDSPEODHAC-KLHDSHLOSA-N 2 2 361.490 0.876 10 0 FCAELP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001335770564 1259831254 /nfs/dbraw/zinc/83/12/54/1259831254.db2.gz GYHAJDSPEODHAC-KLHDSHLOSA-N 2 2 361.490 0.876 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC001261924343 1260219439 /nfs/dbraw/zinc/21/94/39/1260219439.db2.gz TZGDEGRLHDOEBT-NVXWUHKLSA-N 2 2 373.501 0.586 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC001261924343 1260219450 /nfs/dbraw/zinc/21/94/50/1260219450.db2.gz TZGDEGRLHDOEBT-NVXWUHKLSA-N 2 2 373.501 0.586 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC001261924345 1260219786 /nfs/dbraw/zinc/21/97/86/1260219786.db2.gz TZGDEGRLHDOEBT-WBVHZDCISA-N 2 2 373.501 0.586 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC001261924345 1260219793 /nfs/dbraw/zinc/21/97/93/1260219793.db2.gz TZGDEGRLHDOEBT-WBVHZDCISA-N 2 2 373.501 0.586 10 0 FCAELP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(F)cc1 ZINC001262126797 1260264689 /nfs/dbraw/zinc/26/46/89/1260264689.db2.gz PXFKBOYHYPLQGX-ZACQAIPSSA-N 2 2 362.449 0.898 10 0 FCAELP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(F)cc1 ZINC001262126797 1260264696 /nfs/dbraw/zinc/26/46/96/1260264696.db2.gz PXFKBOYHYPLQGX-ZACQAIPSSA-N 2 2 362.449 0.898 10 0 FCAELP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001262126797 1260264701 /nfs/dbraw/zinc/26/47/01/1260264701.db2.gz PXFKBOYHYPLQGX-ZACQAIPSSA-N 2 2 362.449 0.898 10 0 FCAELP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001262126797 1260264707 /nfs/dbraw/zinc/26/47/07/1260264707.db2.gz PXFKBOYHYPLQGX-ZACQAIPSSA-N 2 2 362.449 0.898 10 0 FCAELP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H](CNC(=O)CC[NH+](C)C)C1CC1 ZINC001336980838 1260274933 /nfs/dbraw/zinc/27/49/33/1260274933.db2.gz CAALHEFRCWWCQB-BZUAXINKSA-N 2 2 361.490 0.829 10 0 FCAELP C[N@H+](C[C@H](O)C[C@]1(O)CCOC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001262265437 1260291578 /nfs/dbraw/zinc/29/15/78/1260291578.db2.gz STHIZFCEQQZSHS-AQNXPRMDSA-N 2 2 364.486 0.458 10 0 FCAELP C[N@@H+](C[C@H](O)C[C@]1(O)CCOC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001262265437 1260291584 /nfs/dbraw/zinc/29/15/84/1260291584.db2.gz STHIZFCEQQZSHS-AQNXPRMDSA-N 2 2 364.486 0.458 10 0 FCAELP C[NH+](C[C@H](O)C[C@]1(O)CCOC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001262265437 1260291590 /nfs/dbraw/zinc/29/15/90/1260291590.db2.gz STHIZFCEQQZSHS-AQNXPRMDSA-N 2 2 364.486 0.458 10 0 FCAELP C[NH+](C[C@H](O)C[C@]1(O)CCOC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001262265437 1260291596 /nfs/dbraw/zinc/29/15/96/1260291596.db2.gz STHIZFCEQQZSHS-AQNXPRMDSA-N 2 2 364.486 0.458 10 0 FCAELP COCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1c1cnn(C)c1 ZINC001264504177 1260376837 /nfs/dbraw/zinc/37/68/37/1260376837.db2.gz RUNPWCKFJXNLSI-LSDHHAIUSA-N 2 2 360.462 0.651 10 0 FCAELP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(=O)NC(=O)NCC)[C@@H]1C ZINC001264704339 1260396009 /nfs/dbraw/zinc/39/60/09/1260396009.db2.gz WICIZHSSDSLDDK-QLFBSQMISA-N 2 2 367.494 0.286 10 0 FCAELP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(=O)NC(=O)NCC)[C@@H]1C ZINC001264704339 1260396015 /nfs/dbraw/zinc/39/60/15/1260396015.db2.gz WICIZHSSDSLDDK-QLFBSQMISA-N 2 2 367.494 0.286 10 0 FCAELP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)NC(=O)NCC)[C@@H]1C ZINC001264704339 1260396020 /nfs/dbraw/zinc/39/60/20/1260396020.db2.gz WICIZHSSDSLDDK-QLFBSQMISA-N 2 2 367.494 0.286 10 0 FCAELP 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C[C@@H]1[C@H](C(=O)N(C)C2C[NH+](C[C@@H](O)COCc3ccco3)C2)CC[N@H+]1C ZINC001499674586 1264041677 /nfs/dbraw/zinc/04/16/77/1264041677.db2.gz ZLQHSUFGGFMMMT-QGPMSJSTSA-N 2 2 365.474 0.640 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCCC2CCN(C(=O)Cn3cc[nH+]c3)CC2)CC[N@@H+]1C ZINC001499779439 1264044774 /nfs/dbraw/zinc/04/47/74/1264044774.db2.gz BUWIGTGQGQHCNR-NVXWUHKLSA-N 2 2 361.490 0.968 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCCC2CCN(C(=O)Cn3cc[nH+]c3)CC2)CC[N@H+]1C ZINC001499779439 1264044781 /nfs/dbraw/zinc/04/47/81/1264044781.db2.gz BUWIGTGQGQHCNR-NVXWUHKLSA-N 2 2 361.490 0.968 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@](C)(C[NH2+]Cc2cnnn2C)C1 ZINC001500378246 1264067857 /nfs/dbraw/zinc/06/78/57/1264067857.db2.gz LILKNEBPUBCASS-IIDMSEBBSA-N 2 2 357.462 0.681 10 0 FCAELP COCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001500364192 1264067950 /nfs/dbraw/zinc/06/79/50/1264067950.db2.gz MTRBZARFSKBJKX-AOIWGVFYSA-N 2 2 369.506 0.341 10 0 FCAELP 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/nfs/dbraw/zinc/59/65/62/1269596562.db2.gz AZTJBENCJDDIGB-HOCLYGCPSA-N 2 2 354.495 0.012 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CC(=O)NCC2CC2)CC[N@@H+]1C ZINC001566921956 1269668781 /nfs/dbraw/zinc/66/87/81/1269668781.db2.gz UJSSCWXISXDMKT-HYVNUMGLSA-N 2 2 350.507 0.824 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CC(=O)NCC2CC2)CC[N@H+]1C ZINC001566921956 1269668790 /nfs/dbraw/zinc/66/87/90/1269668790.db2.gz UJSSCWXISXDMKT-HYVNUMGLSA-N 2 2 350.507 0.824 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CC(=O)NCC2CC2)CC[NH+]1C ZINC001566921956 1269668797 /nfs/dbraw/zinc/66/87/97/1269668797.db2.gz UJSSCWXISXDMKT-HYVNUMGLSA-N 2 2 350.507 0.824 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2CC(=O)NCC2CC2)CC[NH+]1C ZINC001566921956 1269668805 /nfs/dbraw/zinc/66/88/05/1269668805.db2.gz UJSSCWXISXDMKT-HYVNUMGLSA-N 2 2 350.507 0.824 10 0 FCAELP COCCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001567767013 1269707254 /nfs/dbraw/zinc/70/72/54/1269707254.db2.gz YZFXSIGICRMYJR-BZUAXINKSA-N 2 2 350.463 0.767 10 0 FCAELP COCCOCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001567767013 1269707268 /nfs/dbraw/zinc/70/72/68/1269707268.db2.gz YZFXSIGICRMYJR-BZUAXINKSA-N 2 2 350.463 0.767 10 0 FCAELP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CC1CCS(=O)(=O)CC1 ZINC001567965911 1269715737 /nfs/dbraw/zinc/71/57/37/1269715737.db2.gz NGQXHCPQDUMISN-RRFJBIMHSA-N 2 2 368.503 0.822 10 0 FCAELP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CC1CCS(=O)(=O)CC1 ZINC001567965911 1269715739 /nfs/dbraw/zinc/71/57/39/1269715739.db2.gz NGQXHCPQDUMISN-RRFJBIMHSA-N 2 2 368.503 0.822 10 0 FCAELP CCCNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001568279151 1269726858 /nfs/dbraw/zinc/72/68/58/1269726858.db2.gz JSAYAQSPZSEUOO-YNEHKIRRSA-N 2 2 364.450 0.186 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)CC(=O)NC[C@H]2CCOC2)CC[N@@H+]1C ZINC001568483354 1269735329 /nfs/dbraw/zinc/73/53/29/1269735329.db2.gz RUXYGNACAAWVNO-IXDOHACOSA-N 2 2 368.522 0.260 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)CC(=O)NC[C@H]2CCOC2)CC[N@H+]1C ZINC001568483354 1269735333 /nfs/dbraw/zinc/73/53/33/1269735333.db2.gz RUXYGNACAAWVNO-IXDOHACOSA-N 2 2 368.522 0.260 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)CC[N@H+](C)CC(=O)NC[C@H]2CCOC2)CC[NH+]1C ZINC001568483354 1269735338 /nfs/dbraw/zinc/73/53/38/1269735338.db2.gz RUXYGNACAAWVNO-IXDOHACOSA-N 2 2 368.522 0.260 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)CC[N@@H+](C)CC(=O)NC[C@H]2CCOC2)CC[NH+]1C ZINC001568483354 1269735342 /nfs/dbraw/zinc/73/53/42/1269735342.db2.gz RUXYGNACAAWVNO-IXDOHACOSA-N 2 2 368.522 0.260 10 0 FCAELP CCc1noc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)n1 ZINC001571579972 1269938906 /nfs/dbraw/zinc/93/89/06/1269938906.db2.gz GGPSSECYMWDPDX-HZSPNIEDSA-N 2 2 353.467 0.271 10 0 FCAELP CCc1noc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)n1 ZINC001571579972 1269938911 /nfs/dbraw/zinc/93/89/11/1269938911.db2.gz GGPSSECYMWDPDX-HZSPNIEDSA-N 2 2 353.467 0.271 10 0 FCAELP CC(C)N(CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)Cc1c[nH+]cn1C ZINC001572509908 1270084004 /nfs/dbraw/zinc/08/40/04/1270084004.db2.gz XOGKDBJGHMGYRW-NVXWUHKLSA-N 2 2 363.506 0.998 10 0 FCAELP CC(C)N(CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)Cc1c[nH+]cn1C ZINC001572509908 1270084014 /nfs/dbraw/zinc/08/40/14/1270084014.db2.gz XOGKDBJGHMGYRW-NVXWUHKLSA-N 2 2 363.506 0.998 10 0 FCAELP Cn1cc[nH+]c1CCC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001344305733 1270141770 /nfs/dbraw/zinc/14/17/70/1270141770.db2.gz PSDBNLPZZHWJRI-ARFHVFGLSA-N 2 2 361.490 0.706 10 0 FCAELP Cn1cc[nH+]c1CCC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001344305733 1270141773 /nfs/dbraw/zinc/14/17/73/1270141773.db2.gz PSDBNLPZZHWJRI-ARFHVFGLSA-N 2 2 361.490 0.706 10 0 FCAELP C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001344541588 1270199504 /nfs/dbraw/zinc/19/95/04/1270199504.db2.gz BFUAXMUZBOVAPB-CVEARBPZSA-N 2 2 359.474 0.722 10 0 FCAELP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1)[NH+](C)C ZINC001572917119 1270347332 /nfs/dbraw/zinc/34/73/32/1270347332.db2.gz XQVXVRBFESAZBP-QGPMSJSTSA-N 2 2 363.506 0.902 10 0 FCAELP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1)[NH+](C)C ZINC001572917118 1270347404 /nfs/dbraw/zinc/34/74/04/1270347404.db2.gz XQVXVRBFESAZBP-KYJSFNMBSA-N 2 2 363.506 0.902 10 0 FCAELP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001572926270 1270355933 /nfs/dbraw/zinc/35/59/33/1270355933.db2.gz AFXYPZWLCJONKZ-BFYDXBDKSA-N 2 2 361.490 0.750 10 0 FCAELP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001572926270 1270355943 /nfs/dbraw/zinc/35/59/43/1270355943.db2.gz AFXYPZWLCJONKZ-BFYDXBDKSA-N 2 2 361.490 0.750 10 0 FCAELP C[NH+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001573057053 1270576709 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361.490 0.953 10 0 FCAELP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(N(C)C)[nH+]c2)[C@H](C)C1 ZINC000284464251 213144538 /nfs/dbraw/zinc/14/45/38/213144538.db2.gz GHRFAOGCHJGYOW-GDBMZVCRSA-N 2 2 361.490 0.953 10 0 FCAELP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000283978104 213047193 /nfs/dbraw/zinc/04/71/93/213047193.db2.gz PDZHYQXWTOAGSU-ZDUSSCGKSA-N 2 2 361.421 0.905 10 0 FCAELP CN(C)C(=O)C1([NH2+]CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000411916185 237106654 /nfs/dbraw/zinc/10/66/54/237106654.db2.gz UYICNUXLCHYJIG-UHFFFAOYSA-N 2 2 350.488 0.603 10 0 FCAELP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000413263454 237302842 /nfs/dbraw/zinc/30/28/42/237302842.db2.gz LFUAHOWFFXSCJW-INIZCTEOSA-N 2 2 372.510 0.086 10 0 FCAELP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000413263454 237302829 /nfs/dbraw/zinc/30/28/29/237302829.db2.gz LFUAHOWFFXSCJW-INIZCTEOSA-N 2 2 372.510 0.086 10 0 FCAELP COCCO[C@@H]1CCC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000366896510 216047832 /nfs/dbraw/zinc/04/78/32/216047832.db2.gz OTJRATZLAISOFK-QZTJIDSGSA-N 2 2 371.522 0.587 10 0 FCAELP COCCO[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000366896510 216047834 /nfs/dbraw/zinc/04/78/34/216047834.db2.gz OTJRATZLAISOFK-QZTJIDSGSA-N 2 2 371.522 0.587 10 0 FCAELP COCCO[C@@H]1CCC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000366896510 216047838 /nfs/dbraw/zinc/04/78/38/216047838.db2.gz OTJRATZLAISOFK-QZTJIDSGSA-N 2 2 371.522 0.587 10 0 FCAELP COCCO[C@@H]1CCC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000366896510 216047841 /nfs/dbraw/zinc/04/78/41/216047841.db2.gz OTJRATZLAISOFK-QZTJIDSGSA-N 2 2 371.522 0.587 10 0 FCAELP C[C@@H]1C[NH+](CC2CCN(C(=O)NC[C@H]3C[N@H+](C)CCO3)CC2)C[C@@H](C)O1 ZINC000246382221 209385752 /nfs/dbraw/zinc/38/57/52/209385752.db2.gz HPQWMVWCEDGMFL-NUJGCVRESA-N 2 2 368.522 0.848 10 0 FCAELP C[C@@H]1C[NH+](CC2CCN(C(=O)NC[C@H]3C[N@@H+](C)CCO3)CC2)C[C@@H](C)O1 ZINC000246382221 209385755 /nfs/dbraw/zinc/38/57/55/209385755.db2.gz HPQWMVWCEDGMFL-NUJGCVRESA-N 2 2 368.522 0.848 10 0 FCAELP O=C(Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)[C@H]1COCC[NH2+]1 ZINC000238131563 209363766 /nfs/dbraw/zinc/36/37/66/209363766.db2.gz ASVJOZNRBXAYAN-QGZVFWFLSA-N 2 2 358.442 0.900 10 0 FCAELP [NH3+]C1(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCCCCC1 ZINC000237756788 209356494 /nfs/dbraw/zinc/35/64/94/209356494.db2.gz MHNSBINKIPCLBM-INIZCTEOSA-N 2 2 366.506 0.335 10 0 FCAELP C[C@H](NC(=O)[C@H]1COCC[NH2+]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000237531996 209354538 /nfs/dbraw/zinc/35/45/38/209354538.db2.gz HJWZPRXUPXYXDR-XJKSGUPXSA-N 2 2 350.438 0.743 10 0 FCAELP CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000237079661 209347315 /nfs/dbraw/zinc/34/73/15/209347315.db2.gz QLLMTHGVRBZHTA-QGZVFWFLSA-N 2 2 374.485 0.915 10 0 FCAELP O=C1C[C@@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CN1CC[NH+]1CCOCC1 ZINC000194105026 209323840 /nfs/dbraw/zinc/32/38/40/209323840.db2.gz ZCWVWOSMIRMYBP-PSBWJHGTSA-N 2 2 363.502 0.857 10 0 FCAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCN3CCO[C@H](C)C3)CC2)C1 ZINC000192734901 209303935 /nfs/dbraw/zinc/30/39/35/209303935.db2.gz RGRHYZINKMNWHN-RTBURBONSA-N 2 2 354.539 0.434 10 0 FCAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCN3CCO[C@H](C)C3)CC2)C1 ZINC000192734901 209303941 /nfs/dbraw/zinc/30/39/41/209303941.db2.gz RGRHYZINKMNWHN-RTBURBONSA-N 2 2 354.539 0.434 10 0 FCAELP CC(C)[N@@H+]1CCO[C@H](CN2CCN(CC[NH+]3CCO[C@H](C)C3)CC2)C1 ZINC000192734901 209303943 /nfs/dbraw/zinc/30/39/43/209303943.db2.gz RGRHYZINKMNWHN-RTBURBONSA-N 2 2 354.539 0.434 10 0 FCAELP CC(C)[NH+]1CCO[C@H](CN2CCN(CC[N@@H+]3CCO[C@H](C)C3)CC2)C1 ZINC000192734901 209303950 /nfs/dbraw/zinc/30/39/50/209303950.db2.gz RGRHYZINKMNWHN-RTBURBONSA-N 2 2 354.539 0.434 10 0 FCAELP CC(C)[NH+]1CCO[C@H](CN2CCN(CC[N@H+]3CCO[C@H](C)C3)CC2)C1 ZINC000192734901 209303953 /nfs/dbraw/zinc/30/39/53/209303953.db2.gz RGRHYZINKMNWHN-RTBURBONSA-N 2 2 354.539 0.434 10 0 FCAELP CC(=O)NC[C@@H]1CCC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000368792607 216296897 /nfs/dbraw/zinc/29/68/97/216296897.db2.gz ZIHYGNLDCYKZHP-ZWKOTPCHSA-N 2 2 368.522 0.308 10 0 FCAELP CC(=O)NC[C@@H]1CCC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000368792607 216296899 /nfs/dbraw/zinc/29/68/99/216296899.db2.gz ZIHYGNLDCYKZHP-ZWKOTPCHSA-N 2 2 368.522 0.308 10 0 FCAELP CC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000368792607 216296902 /nfs/dbraw/zinc/29/69/02/216296902.db2.gz ZIHYGNLDCYKZHP-ZWKOTPCHSA-N 2 2 368.522 0.308 10 0 FCAELP CC(=O)NC[C@@H]1CCC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000368792607 216296903 /nfs/dbraw/zinc/29/69/03/216296903.db2.gz ZIHYGNLDCYKZHP-ZWKOTPCHSA-N 2 2 368.522 0.308 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@H]2CCCCNC2=O)C1 ZINC000368892087 216313643 /nfs/dbraw/zinc/31/36/43/216313643.db2.gz NKJZMEFITHSMSC-HOTGVXAUSA-N 2 2 354.495 0.060 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@H]2CCCCNC2=O)C1 ZINC000368892087 216313647 /nfs/dbraw/zinc/31/36/47/216313647.db2.gz NKJZMEFITHSMSC-HOTGVXAUSA-N 2 2 354.495 0.060 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)[C@H]2CCCCNC2=O)C1 ZINC000368892087 216313649 /nfs/dbraw/zinc/31/36/49/216313649.db2.gz NKJZMEFITHSMSC-HOTGVXAUSA-N 2 2 354.495 0.060 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)[C@H]2CCCCNC2=O)C1 ZINC000368892087 216313653 /nfs/dbraw/zinc/31/36/53/216313653.db2.gz NKJZMEFITHSMSC-HOTGVXAUSA-N 2 2 354.495 0.060 10 0 FCAELP C[C@@H](C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)[NH+]1CCN(C)CC1 ZINC000369108318 216349636 /nfs/dbraw/zinc/34/96/36/216349636.db2.gz CBKXGZHATJKOLX-ZWKOTPCHSA-N 2 2 351.539 0.251 10 0 FCAELP C[C@@H](C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)[NH+]1CCN(C)CC1 ZINC000369108318 216349637 /nfs/dbraw/zinc/34/96/37/216349637.db2.gz CBKXGZHATJKOLX-ZWKOTPCHSA-N 2 2 351.539 0.251 10 0 FCAELP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000189448948 209252209 /nfs/dbraw/zinc/25/22/09/209252209.db2.gz CXJUGMIDJWLUNR-QGZVFWFLSA-N 2 2 362.474 0.914 10 0 FCAELP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000189448948 209252213 /nfs/dbraw/zinc/25/22/13/209252213.db2.gz CXJUGMIDJWLUNR-QGZVFWFLSA-N 2 2 362.474 0.914 10 0 FCAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC(NC(=O)C3CCC3)C2)CC1 ZINC000188909623 209240052 /nfs/dbraw/zinc/24/00/52/209240052.db2.gz HUGMRKUBFSZEGT-UHFFFAOYSA-N 2 2 351.495 0.323 10 0 FCAELP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000186799891 209199544 /nfs/dbraw/zinc/19/95/44/209199544.db2.gz WXTZECDKFKTZQY-VQIMIIECSA-N 2 2 361.486 0.709 10 0 FCAELP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)CC1 ZINC000185992572 209184283 /nfs/dbraw/zinc/18/42/83/209184283.db2.gz LWJJVEMIOAIBMQ-JYJNAYRXSA-N 2 2 366.506 0.996 10 0 FCAELP C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)CC1 ZINC000185992572 209184286 /nfs/dbraw/zinc/18/42/86/209184286.db2.gz LWJJVEMIOAIBMQ-JYJNAYRXSA-N 2 2 366.506 0.996 10 0 FCAELP C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1=O ZINC000372584446 216906090 /nfs/dbraw/zinc/90/60/90/216906090.db2.gz NYPCIZCJETUAHL-FMKPAKJESA-N 2 2 351.495 0.321 10 0 FCAELP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000415194670 245359427 /nfs/dbraw/zinc/35/94/27/245359427.db2.gz LYVVVVSKPCVZCL-HNNXBMFYSA-N 2 2 362.474 0.914 10 0 FCAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)CC1 ZINC000184823819 209166715 /nfs/dbraw/zinc/16/67/15/209166715.db2.gz OSSHWCQKBXXFHJ-MRXNPFEDSA-N 2 2 358.446 0.865 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](C)O[C@@H](C3CC3)C2)C1 ZINC000373505388 217026512 /nfs/dbraw/zinc/02/65/12/217026512.db2.gz AAQCZJPDUFQSIL-CGTJXYLNSA-N 2 2 353.507 0.959 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](C)O[C@@H](C3CC3)C2)C1 ZINC000373505388 217026513 /nfs/dbraw/zinc/02/65/13/217026513.db2.gz AAQCZJPDUFQSIL-CGTJXYLNSA-N 2 2 353.507 0.959 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)C1 ZINC000373505388 217026517 /nfs/dbraw/zinc/02/65/17/217026517.db2.gz AAQCZJPDUFQSIL-CGTJXYLNSA-N 2 2 353.507 0.959 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)C1 ZINC000373505388 217026521 /nfs/dbraw/zinc/02/65/21/217026521.db2.gz AAQCZJPDUFQSIL-CGTJXYLNSA-N 2 2 353.507 0.959 10 0 FCAELP COCCn1cc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000374268412 217114327 /nfs/dbraw/zinc/11/43/27/217114327.db2.gz KLOCOOZAERYHDJ-UHFFFAOYSA-N 2 2 363.506 0.906 10 0 FCAELP Cc1cn[nH]c1C[NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000375058495 217212078 /nfs/dbraw/zinc/21/20/78/217212078.db2.gz JDGCBBVVLOIFSQ-HNNXBMFYSA-N 2 2 371.489 0.654 10 0 FCAELP Cc1c[nH]nc1C[NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000375058495 217212081 /nfs/dbraw/zinc/21/20/81/217212081.db2.gz JDGCBBVVLOIFSQ-HNNXBMFYSA-N 2 2 371.489 0.654 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C)C2)CC1 ZINC000375177400 217225888 /nfs/dbraw/zinc/22/58/88/217225888.db2.gz BSBYZJVWATXRTO-UXLLHSPISA-N 2 2 370.538 0.612 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C)C2)CC1 ZINC000375177400 217225893 /nfs/dbraw/zinc/22/58/93/217225893.db2.gz BSBYZJVWATXRTO-UXLLHSPISA-N 2 2 370.538 0.612 10 0 FCAELP CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000375315250 217248590 /nfs/dbraw/zinc/24/85/90/217248590.db2.gz BDIGTNRSDAMXOB-ZWKOTPCHSA-N 2 2 357.539 0.531 10 0 FCAELP CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000375315250 217248592 /nfs/dbraw/zinc/24/85/92/217248592.db2.gz BDIGTNRSDAMXOB-ZWKOTPCHSA-N 2 2 357.539 0.531 10 0 FCAELP Cc1cc(N2CCN(c3nc(N4CCC[C@H](O)C4)cc[nH+]3)CC2)nc(N)[nH+]1 ZINC000065451154 205351235 /nfs/dbraw/zinc/35/12/35/205351235.db2.gz IRUGPCJXZQMRIK-AWEZNQCLSA-N 2 2 370.461 0.445 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)n1 ZINC000931659629 674128294 /nfs/dbraw/zinc/12/82/94/674128294.db2.gz YORBAURIUGABMV-AWEZNQCLSA-N 2 2 365.503 0.518 10 0 FCAELP C[C@@H]1C[N@@H+](CCCNC(=O)N2C[C@H](C)[NH+](CCO)C[C@H]2C)C[C@H](C)O1 ZINC000419411100 246144202 /nfs/dbraw/zinc/14/42/02/246144202.db2.gz PIMQAKBVRQFYIQ-VVLHAWIVSA-N 2 2 356.511 0.582 10 0 FCAELP C[C@@H]1C[N@H+](CCCNC(=O)N2C[C@H](C)[NH+](CCO)C[C@H]2C)C[C@H](C)O1 ZINC000419411100 246144205 /nfs/dbraw/zinc/14/42/05/246144205.db2.gz PIMQAKBVRQFYIQ-VVLHAWIVSA-N 2 2 356.511 0.582 10 0 FCAELP C[C@@H]1C[NH+](CCCNC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)C[C@H](C)O1 ZINC000419411100 246144220 /nfs/dbraw/zinc/14/42/20/246144220.db2.gz PIMQAKBVRQFYIQ-VVLHAWIVSA-N 2 2 356.511 0.582 10 0 FCAELP CCCN(C(=O)C(=O)NCc1nc(C[NH+](C)C)cs1)[C@H]1CC[N@H+](C)C1 ZINC000931667918 674129937 /nfs/dbraw/zinc/12/99/37/674129937.db2.gz MHFODNZRERGJFD-AWEZNQCLSA-N 2 2 367.519 0.764 10 0 FCAELP CCCN(C(=O)C(=O)NCc1nc(C[NH+](C)C)cs1)[C@H]1CC[N@@H+](C)C1 ZINC000931667918 674129939 /nfs/dbraw/zinc/12/99/39/674129939.db2.gz MHFODNZRERGJFD-AWEZNQCLSA-N 2 2 367.519 0.764 10 0 FCAELP [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)C[C@@H]12 ZINC000419639641 246225662 /nfs/dbraw/zinc/22/56/62/246225662.db2.gz KBTLTYXQNBOBHV-RCCFBDPRSA-N 2 2 367.453 0.743 10 0 FCAELP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000419639283 246226458 /nfs/dbraw/zinc/22/64/58/246226458.db2.gz GUNRYJZBUBXPBD-GDBMZVCRSA-N 2 2 359.474 0.895 10 0 FCAELP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000419650183 246231444 /nfs/dbraw/zinc/23/14/44/246231444.db2.gz UQZPQIXUPJJNMD-WMLDXEAASA-N 2 2 355.442 0.804 10 0 FCAELP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000419691446 246253172 /nfs/dbraw/zinc/25/31/72/246253172.db2.gz WLUHZSXUTJIWOU-IGMKFADOSA-N 2 2 359.474 0.658 10 0 FCAELP [NH3+][C@H](CNC(=O)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)C1CC1 ZINC000419713517 246266135 /nfs/dbraw/zinc/26/61/35/246266135.db2.gz RNBVDNLAEPIBAU-MRXNPFEDSA-N 2 2 364.877 0.668 10 0 FCAELP [NH3+][C@H](CNC(=O)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)C1CC1 ZINC000419713517 246266138 /nfs/dbraw/zinc/26/61/38/246266138.db2.gz RNBVDNLAEPIBAU-MRXNPFEDSA-N 2 2 364.877 0.668 10 0 FCAELP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000419844791 246317632 /nfs/dbraw/zinc/31/76/32/246317632.db2.gz OOZXIYNTWJZWAR-GJZGRUSLSA-N 2 2 359.474 0.794 10 0 FCAELP CCC[NH2+]CCNC(=O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000419925474 246370873 /nfs/dbraw/zinc/37/08/73/246370873.db2.gz ITIQNGKOFFYHEN-UHFFFAOYSA-N 3 2 367.538 0.169 10 0 FCAELP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)C(=O)NCC2C[NH2+]C2)CC1 ZINC000419921201 246371435 /nfs/dbraw/zinc/37/14/35/246371435.db2.gz HTXMPMHGMAAYIF-CYBMUJFWSA-N 2 2 364.877 0.881 10 0 FCAELP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000419934161 246375809 /nfs/dbraw/zinc/37/58/09/246375809.db2.gz QVNSSEKYHUSVQG-QGZVFWFLSA-N 2 2 362.474 0.372 10 0 FCAELP C[C@H](NC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000419902442 246359886 /nfs/dbraw/zinc/35/98/86/246359886.db2.gz UOJRXVCCQLNZNL-ULQDDVLXSA-N 2 2 366.506 0.204 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N3CCC[C@H](C)[C@@H]3C[NH3+])CC2)cc[nH+]1 ZINC000423729520 247130168 /nfs/dbraw/zinc/13/01/68/247130168.db2.gz KKUGKQATXYNRMC-ZFWWWQNUSA-N 2 2 360.462 0.019 10 0 FCAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424165830 247172977 /nfs/dbraw/zinc/17/29/77/247172977.db2.gz BPIDMFDVGALVFN-AWEZNQCLSA-N 2 2 371.445 0.995 10 0 FCAELP Cc1ncc(NC(=O)C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cn1 ZINC000442488427 248289291 /nfs/dbraw/zinc/28/92/91/248289291.db2.gz SLMOZVFHPPMPGP-UHFFFAOYSA-N 2 2 374.489 0.790 10 0 FCAELP O=S(=O)(NCC[N@@H+]1CCCOCC1)c1ccccc1Cn1cc[nH+]c1 ZINC000443196070 248311220 /nfs/dbraw/zinc/31/12/20/248311220.db2.gz MULPQNKJFFVSSU-UHFFFAOYSA-N 2 2 364.471 0.932 10 0 FCAELP O=S(=O)(NCC[N@H+]1CCCOCC1)c1ccccc1Cn1cc[nH+]c1 ZINC000443196070 248311223 /nfs/dbraw/zinc/31/12/23/248311223.db2.gz MULPQNKJFFVSSU-UHFFFAOYSA-N 2 2 364.471 0.932 10 0 FCAELP O=C(NC[C@H]1CCC[N@H+]1CCCO)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000452370306 249312435 /nfs/dbraw/zinc/31/24/35/249312435.db2.gz SMZJRXNQKKTNKS-QGZVFWFLSA-N 2 2 362.474 0.490 10 0 FCAELP O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000452370306 249312437 /nfs/dbraw/zinc/31/24/37/249312437.db2.gz SMZJRXNQKKTNKS-QGZVFWFLSA-N 2 2 362.474 0.490 10 0 FCAELP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000472150156 250134299 /nfs/dbraw/zinc/13/42/99/250134299.db2.gz CIMSBHWMOFATRV-HUUCEWRRSA-N 2 2 364.494 0.941 10 0 FCAELP Cc1ccc(N2CCC(NC(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)[nH+]c1 ZINC000073944014 208049624 /nfs/dbraw/zinc/04/96/24/208049624.db2.gz QVQAJVHGSOMLSH-INIZCTEOSA-N 2 2 373.501 0.885 10 0 FCAELP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCNC(=O)CC3)CC2)cc1 ZINC000065954883 208014349 /nfs/dbraw/zinc/01/43/49/208014349.db2.gz NCXDCEPYLJKGQQ-UHFFFAOYSA-N 2 2 358.486 0.851 10 0 FCAELP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCNC(=O)CC3)CC2)cc1 ZINC000065954883 208014354 /nfs/dbraw/zinc/01/43/54/208014354.db2.gz NCXDCEPYLJKGQQ-UHFFFAOYSA-N 2 2 358.486 0.851 10 0 FCAELP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCNC(=O)CC3)CC2)cc1 ZINC000065954883 208014361 /nfs/dbraw/zinc/01/43/61/208014361.db2.gz NCXDCEPYLJKGQQ-UHFFFAOYSA-N 2 2 358.486 0.851 10 0 FCAELP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCNC(=O)CC3)CC2)cc1 ZINC000065954883 208014368 /nfs/dbraw/zinc/01/43/68/208014368.db2.gz NCXDCEPYLJKGQQ-UHFFFAOYSA-N 2 2 358.486 0.851 10 0 FCAELP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCNC(=O)CC1 ZINC000065955216 208015175 /nfs/dbraw/zinc/01/51/75/208015175.db2.gz QMQGFFFJYKNKAI-INIZCTEOSA-N 2 2 358.486 0.978 10 0 FCAELP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCNC(=O)CC1 ZINC000065955216 208015180 /nfs/dbraw/zinc/01/51/80/208015180.db2.gz QMQGFFFJYKNKAI-INIZCTEOSA-N 2 2 358.486 0.978 10 0 FCAELP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC[NH+](C2CC2)CC1 ZINC000105177933 208194488 /nfs/dbraw/zinc/19/44/88/208194488.db2.gz CZGBGDOERFHEEJ-QGZVFWFLSA-N 2 2 354.520 0.684 10 0 FCAELP C[C@H]([C@H](C)NC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1)[NH+]1CCOCC1 ZINC000105297763 208197381 /nfs/dbraw/zinc/19/73/81/208197381.db2.gz XTVUOONMRNRKBY-IXDOHACOSA-N 2 2 368.522 0.990 10 0 FCAELP C[C@H]([C@H](C)NC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1)[NH+]1CCOCC1 ZINC000105297763 208197388 /nfs/dbraw/zinc/19/73/88/208197388.db2.gz XTVUOONMRNRKBY-IXDOHACOSA-N 2 2 368.522 0.990 10 0 FCAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CC(=O)N3CCCCC3)CC2)C1 ZINC000106124119 208212344 /nfs/dbraw/zinc/21/23/44/208212344.db2.gz RJEVXMBZIUFUBK-SFHVURJKSA-N 2 2 352.523 0.726 10 0 FCAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CC(=O)N3CCCCC3)CC2)C1 ZINC000106124119 208212349 /nfs/dbraw/zinc/21/23/49/208212349.db2.gz RJEVXMBZIUFUBK-SFHVURJKSA-N 2 2 352.523 0.726 10 0 FCAELP C[N@H+](CC(=O)NC(=O)NC(C)(C)C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130770 208214088 /nfs/dbraw/zinc/21/40/88/208214088.db2.gz MRYIFOYSLKBWQD-UHFFFAOYSA-N 2 2 364.494 0.904 10 0 FCAELP C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130770 208214095 /nfs/dbraw/zinc/21/40/95/208214095.db2.gz MRYIFOYSLKBWQD-UHFFFAOYSA-N 2 2 364.494 0.904 10 0 FCAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CC(=O)NCC3CCC3)CC2)C1 ZINC000108867525 208252100 /nfs/dbraw/zinc/25/21/00/208252100.db2.gz YWZODAZPULIQGZ-GOSISDBHSA-N 2 2 352.523 0.630 10 0 FCAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CC(=O)NCC3CCC3)CC2)C1 ZINC000108867525 208252105 /nfs/dbraw/zinc/25/21/05/208252105.db2.gz YWZODAZPULIQGZ-GOSISDBHSA-N 2 2 352.523 0.630 10 0 FCAELP C[NH+]1CCN([C@@H](C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c2ccccc2)CC1 ZINC000115164855 208321741 /nfs/dbraw/zinc/32/17/41/208321741.db2.gz FQEATOSPNIRUDG-WOJBJXKFSA-N 2 2 372.513 0.955 10 0 FCAELP C[NH+]1CCN([C@@H](C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c2ccccc2)CC1 ZINC000115164855 208321745 /nfs/dbraw/zinc/32/17/45/208321745.db2.gz FQEATOSPNIRUDG-WOJBJXKFSA-N 2 2 372.513 0.955 10 0 FCAELP C[NH+]1CCN([C@H](C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c2ccccc2)CC1 ZINC000115164853 208323182 /nfs/dbraw/zinc/32/31/82/208323182.db2.gz FQEATOSPNIRUDG-UXHICEINSA-N 2 2 372.513 0.955 10 0 FCAELP C[NH+]1CCN([C@H](C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c2ccccc2)CC1 ZINC000115164853 208323186 /nfs/dbraw/zinc/32/31/86/208323186.db2.gz FQEATOSPNIRUDG-UXHICEINSA-N 2 2 372.513 0.955 10 0 FCAELP C[C@@H](CNC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1)[NH+]1CCOCC1 ZINC000115796653 208325259 /nfs/dbraw/zinc/32/52/59/208325259.db2.gz FUZMGRMETFNWHM-INIZCTEOSA-N 2 2 364.494 0.358 10 0 FCAELP C[C@@H](CNC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)[NH+]1CCOCC1 ZINC000115796653 208325267 /nfs/dbraw/zinc/32/52/67/208325267.db2.gz FUZMGRMETFNWHM-INIZCTEOSA-N 2 2 364.494 0.358 10 0 FCAELP Cc1conc1NC(=O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000118971444 208354539 /nfs/dbraw/zinc/35/45/39/208354539.db2.gz SQGWPFCFCNYDTN-UHFFFAOYSA-N 2 2 363.462 0.988 10 0 FCAELP C[NH+]1CCN(Cc2cccc(C(=O)NC[C@H]3C[NH+]4CCN3CC4)c2)CC1 ZINC000178971913 209069907 /nfs/dbraw/zinc/06/99/07/209069907.db2.gz OHGUSLVXZNMQEG-IBGZPJMESA-N 2 2 357.502 0.164 10 0 FCAELP COCCn1ccc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000188077005 229247048 /nfs/dbraw/zinc/24/70/48/229247048.db2.gz ODNCKBGCNOIAEP-SJPCQFCGSA-N 2 2 361.490 0.913 10 0 FCAELP COCCn1ccc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000188077005 229247052 /nfs/dbraw/zinc/24/70/52/229247052.db2.gz ODNCKBGCNOIAEP-SJPCQFCGSA-N 2 2 361.490 0.913 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)[C@H](C)[C@@H](C)O1 ZINC000410968322 230332995 /nfs/dbraw/zinc/33/29/95/230332995.db2.gz DUCZQQZBTLKMRH-BZUAXINKSA-N 2 2 368.522 0.495 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)[C@H](C)[C@@H](C)O1 ZINC000410968322 230332999 /nfs/dbraw/zinc/33/29/99/230332999.db2.gz DUCZQQZBTLKMRH-BZUAXINKSA-N 2 2 368.522 0.495 10 0 FCAELP Cc1cc(NCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000627417259 484358310 /nfs/dbraw/zinc/35/83/10/484358310.db2.gz UWQBJRYKYLCIKY-TZMCWYRMSA-N 2 2 362.478 0.551 10 0 FCAELP Cc1cc(NCCNC(=O)C(=O)NCC(F)(F)C[NH3+])nc(C(C)C)[nH+]1 ZINC000627418915 484359405 /nfs/dbraw/zinc/35/94/05/484359405.db2.gz GXHFVRZCKFFGSO-UHFFFAOYSA-N 2 2 358.393 0.147 10 0 FCAELP Cc1cc(NCCNC(=O)NCC(=O)N2CC[NH2+]CC2)nc(C(C)C)[nH+]1 ZINC000627063699 484360492 /nfs/dbraw/zinc/36/04/92/484360492.db2.gz MJSRYKCONHCEAM-UHFFFAOYSA-N 2 2 363.466 0.051 10 0 FCAELP O=C(NCc1cccnc1-n1cc[nH+]c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000049174418 488091099 /nfs/dbraw/zinc/09/10/99/488091099.db2.gz STAJUGACNYDDFZ-MRXNPFEDSA-N 2 2 358.446 0.913 10 0 FCAELP Cn1ccnc1C[NH+]1CCC(C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000053450567 488201707 /nfs/dbraw/zinc/20/17/07/488201707.db2.gz RUPNBADXMOLDSW-UHFFFAOYSA-N 2 2 363.506 0.861 10 0 FCAELP C[NH+]1CCC(CNC(=O)NCCN2CC[NH2+]CC2)([NH+]2CCCCC2)CC1 ZINC000569794068 491191693 /nfs/dbraw/zinc/19/16/93/491191693.db2.gz ULMQBJXBIHFDLX-UHFFFAOYSA-N 3 2 366.554 0.141 10 0 FCAELP COC[C@@]1(CNC(=O)N2CCN(Cc3[nH+]ccn3C)CC2)CCC[NH2+]1 ZINC000562816685 491191961 /nfs/dbraw/zinc/19/19/61/491191961.db2.gz QZGCNKGRLJXIKT-KRWDZBQOSA-N 2 2 350.467 0.016 10 0 FCAELP O=C(NCCCC[NH+]1CCOCC1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069929894 488374531 /nfs/dbraw/zinc/37/45/31/488374531.db2.gz DJGMNZFJPSOITB-SFHVURJKSA-N 2 2 368.522 0.853 10 0 FCAELP CC[C@@H](CO)[NH+]1CCN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000072798225 488382837 /nfs/dbraw/zinc/38/28/37/488382837.db2.gz ZNUJPQMFPZMKOU-KRWDZBQOSA-N 2 2 364.490 0.312 10 0 FCAELP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000073652118 488385730 /nfs/dbraw/zinc/38/57/30/488385730.db2.gz BKCLMHOTESZANG-QZTJIDSGSA-N 3 2 369.554 0.765 10 0 FCAELP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000073652118 488385731 /nfs/dbraw/zinc/38/57/31/488385731.db2.gz BKCLMHOTESZANG-QZTJIDSGSA-N 3 2 369.554 0.765 10 0 FCAELP C[C@H](CNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1)C[NH+]1CCN(C)CC1 ZINC000073964008 488387039 /nfs/dbraw/zinc/38/70/39/488387039.db2.gz TZACADITZZFLMR-MRXNPFEDSA-N 2 2 371.489 0.950 10 0 FCAELP C[NH+](C)CCN1C[C@@H](C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC1=O ZINC000074365554 488391726 /nfs/dbraw/zinc/39/17/26/488391726.db2.gz PQLGNYIUFKTUJZ-IRXDYDNUSA-N 2 2 366.506 0.110 10 0 FCAELP CC[NH+]1CCN(CC(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000076425247 488404407 /nfs/dbraw/zinc/40/44/07/488404407.db2.gz WTGPRMPVDVKWGL-IBGZPJMESA-N 2 2 373.545 0.951 10 0 FCAELP CN(CC(=O)OC(C)(C)C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000191979303 488422039 /nfs/dbraw/zinc/42/20/39/488422039.db2.gz PKEURNSJQRHSSG-UHFFFAOYSA-N 2 2 368.522 0.498 10 0 FCAELP C[N@H+](CC(=O)OC(C)(C)C)C1CCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000191979303 488422041 /nfs/dbraw/zinc/42/20/41/488422041.db2.gz PKEURNSJQRHSSG-UHFFFAOYSA-N 2 2 368.522 0.498 10 0 FCAELP C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000191979303 488422043 /nfs/dbraw/zinc/42/20/43/488422043.db2.gz PKEURNSJQRHSSG-UHFFFAOYSA-N 2 2 368.522 0.498 10 0 FCAELP COCC[N@@H+]1CCN(C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC000246973329 488479637 /nfs/dbraw/zinc/47/96/37/488479637.db2.gz FASUDZDKGAZUOP-IRXDYDNUSA-N 2 2 356.511 0.705 10 0 FCAELP COCC[N@H+]1CCN(C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC000246973329 488479638 /nfs/dbraw/zinc/47/96/38/488479638.db2.gz FASUDZDKGAZUOP-IRXDYDNUSA-N 2 2 356.511 0.705 10 0 FCAELP COCC[NH+]1CCN(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC000246973329 488479640 /nfs/dbraw/zinc/47/96/40/488479640.db2.gz FASUDZDKGAZUOP-IRXDYDNUSA-N 2 2 356.511 0.705 10 0 FCAELP COCC[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC000246973329 488479641 /nfs/dbraw/zinc/47/96/41/488479641.db2.gz FASUDZDKGAZUOP-IRXDYDNUSA-N 2 2 356.511 0.705 10 0 FCAELP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3cccc(S(N)(=O)=O)c3)CC[C@H]21 ZINC000247009253 488480202 /nfs/dbraw/zinc/48/02/02/488480202.db2.gz 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FCAELP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)Nc3cccc(S(N)(=O)=O)c3)CC[C@H]21 ZINC000247009270 488480283 /nfs/dbraw/zinc/48/02/83/488480283.db2.gz PXXSKKKRIZBAHZ-XJKSGUPXSA-N 2 2 366.487 0.689 10 0 FCAELP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)Nc3cccc(S(N)(=O)=O)c3)CC[C@H]21 ZINC000247009270 488480284 /nfs/dbraw/zinc/48/02/84/488480284.db2.gz PXXSKKKRIZBAHZ-XJKSGUPXSA-N 2 2 366.487 0.689 10 0 FCAELP C[C@@H]1C[N@@H+]([C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)c2cccs2)CCO1 ZINC000247177942 488482719 /nfs/dbraw/zinc/48/27/19/488482719.db2.gz ZPFLDGVVCGMPGQ-KFWWJZLASA-N 2 2 353.488 0.957 10 0 FCAELP C[C@@H]1C[N@H+]([C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)c2cccs2)CCO1 ZINC000247177942 488482722 /nfs/dbraw/zinc/48/27/22/488482722.db2.gz ZPFLDGVVCGMPGQ-KFWWJZLASA-N 2 2 353.488 0.957 10 0 FCAELP C[C@@H]1C[NH+]([C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)c2cccs2)CCO1 ZINC000247177942 488482723 /nfs/dbraw/zinc/48/27/23/488482723.db2.gz ZPFLDGVVCGMPGQ-KFWWJZLASA-N 2 2 353.488 0.957 10 0 FCAELP C[C@@H]1C[NH+]([C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)c2cccs2)CCO1 ZINC000247177942 488482726 /nfs/dbraw/zinc/48/27/26/488482726.db2.gz ZPFLDGVVCGMPGQ-KFWWJZLASA-N 2 2 353.488 0.957 10 0 FCAELP CC[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC[N@@H+]1C[C@H](C)O ZINC000248489709 488497617 /nfs/dbraw/zinc/49/76/17/488497617.db2.gz NBARVXORYXBRAZ-DLBZAZTESA-N 3 2 369.554 0.499 10 0 FCAELP CC[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC[N@H+]1C[C@H](C)O ZINC000248489709 488497619 /nfs/dbraw/zinc/49/76/19/488497619.db2.gz NBARVXORYXBRAZ-DLBZAZTESA-N 3 2 369.554 0.499 10 0 FCAELP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@@H]1C ZINC000248617461 488499487 /nfs/dbraw/zinc/49/94/87/488499487.db2.gz MEWYPBYQMGOOJU-HOTGVXAUSA-N 2 2 355.527 0.109 10 0 FCAELP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@@H]1C ZINC000248617461 488499488 /nfs/dbraw/zinc/49/94/88/488499488.db2.gz MEWYPBYQMGOOJU-HOTGVXAUSA-N 2 2 355.527 0.109 10 0 FCAELP 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488568579 /nfs/dbraw/zinc/56/85/79/488568579.db2.gz YQXGOOPAJCFWPZ-GDBMZVCRSA-N 2 2 357.414 0.222 10 0 FCAELP CC(=O)NCCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000121601462 488569475 /nfs/dbraw/zinc/56/94/75/488569475.db2.gz XFWUEPYXSJVGGJ-SJPCQFCGSA-N 2 2 351.495 0.465 10 0 FCAELP CC(=O)NCCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000121601462 488569476 /nfs/dbraw/zinc/56/94/76/488569476.db2.gz XFWUEPYXSJVGGJ-SJPCQFCGSA-N 2 2 351.495 0.465 10 0 FCAELP C[C@H]1C[C@H]([NH+](C)CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC[N@@H+]1C ZINC000123153390 488583054 /nfs/dbraw/zinc/58/30/54/488583054.db2.gz AAZDJHYGUDFBCP-GXTWGEPZSA-N 2 2 354.476 0.687 10 0 FCAELP C[C@H]1C[C@H]([NH+](C)CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC[N@H+]1C ZINC000123153390 488583056 /nfs/dbraw/zinc/58/30/56/488583056.db2.gz AAZDJHYGUDFBCP-GXTWGEPZSA-N 2 2 354.476 0.687 10 0 FCAELP C[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC[NH+]1C ZINC000123153390 488583057 /nfs/dbraw/zinc/58/30/57/488583057.db2.gz 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ZINC000423249729 489507414 /nfs/dbraw/zinc/50/74/14/489507414.db2.gz PNNIYBNSJIAWQT-SJORKVTESA-N 2 2 366.506 0.287 10 0 FCAELP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000415603030 489535730 /nfs/dbraw/zinc/53/57/30/489535730.db2.gz AAJISLZKXMVGOA-QAPCUYQASA-N 2 2 373.501 0.487 10 0 FCAELP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426321747 489563154 /nfs/dbraw/zinc/56/31/54/489563154.db2.gz FNZVPPQNKFCUGA-UHFFFAOYSA-N 2 2 369.506 0.832 10 0 FCAELP COC(=O)N1CC(NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000372282393 489566499 /nfs/dbraw/zinc/56/64/99/489566499.db2.gz RBKBFCGTQWWVBH-XYPWUTKMSA-N 2 2 365.478 0.389 10 0 FCAELP COC(=O)N1CC(NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000372282393 489566501 /nfs/dbraw/zinc/56/65/01/489566501.db2.gz RBKBFCGTQWWVBH-XYPWUTKMSA-N 2 2 365.478 0.389 10 0 FCAELP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000416663834 489624198 /nfs/dbraw/zinc/62/41/98/489624198.db2.gz MKTNIYHJYSITKH-HUUCEWRRSA-N 2 2 355.504 0.824 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000416663834 489624201 /nfs/dbraw/zinc/62/42/01/489624201.db2.gz MKTNIYHJYSITKH-HUUCEWRRSA-N 2 2 355.504 0.824 10 0 FCAELP C[C@@H]1C[N@H+](CCO)CCN1C(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000457111857 489636686 /nfs/dbraw/zinc/63/66/86/489636686.db2.gz FOCQOFFJNXEWLJ-IEBWSBKVSA-N 2 2 361.486 0.803 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000457111857 489636688 /nfs/dbraw/zinc/63/66/88/489636688.db2.gz FOCQOFFJNXEWLJ-IEBWSBKVSA-N 2 2 361.486 0.803 10 0 FCAELP C[C@@H]1C[NH+](CCO)CCN1C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000457111857 489636693 /nfs/dbraw/zinc/63/66/93/489636693.db2.gz FOCQOFFJNXEWLJ-IEBWSBKVSA-N 2 2 361.486 0.803 10 0 FCAELP C[C@@H]1C[NH+](CCO)CCN1C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000457111857 489636696 /nfs/dbraw/zinc/63/66/96/489636696.db2.gz FOCQOFFJNXEWLJ-IEBWSBKVSA-N 2 2 361.486 0.803 10 0 FCAELP C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000457115467 489636986 /nfs/dbraw/zinc/63/69/86/489636986.db2.gz IGHHKEVOBLJETL-QGZVFWFLSA-N 2 2 360.502 0.573 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000457115467 489636987 /nfs/dbraw/zinc/63/69/87/489636987.db2.gz IGHHKEVOBLJETL-QGZVFWFLSA-N 2 2 360.502 0.573 10 0 FCAELP [NH3+]CC[C@H](NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)C(F)F ZINC000417704614 489662443 /nfs/dbraw/zinc/66/24/43/489662443.db2.gz LHRWRLRIFMDCCL-ZDUSSCGKSA-N 2 2 361.437 0.212 10 0 FCAELP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373176188 489676260 /nfs/dbraw/zinc/67/62/60/489676260.db2.gz KAZLNUQNGUTSNS-GJZGRUSLSA-N 2 2 353.511 0.709 10 0 FCAELP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373176188 489676263 /nfs/dbraw/zinc/67/62/63/489676263.db2.gz KAZLNUQNGUTSNS-GJZGRUSLSA-N 2 2 353.511 0.709 10 0 FCAELP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000488960739 489688599 /nfs/dbraw/zinc/68/85/99/489688599.db2.gz BQGNUVQXXJIGDL-CQSZACIVSA-N 2 2 356.430 0.585 10 0 FCAELP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000488960739 489688603 /nfs/dbraw/zinc/68/86/03/489688603.db2.gz BQGNUVQXXJIGDL-CQSZACIVSA-N 2 2 356.430 0.585 10 0 FCAELP COc1cc[nH+]cc1CNC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000458818486 489704053 /nfs/dbraw/zinc/70/40/53/489704053.db2.gz ZMELMPGWZJIAOC-HNNXBMFYSA-N 2 2 365.478 0.982 10 0 FCAELP CC(C)([NH3+])CNC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000418799478 489730438 /nfs/dbraw/zinc/73/04/38/489730438.db2.gz IBBMTKOWRGPMOC-GFCCVEGCSA-N 2 2 368.428 0.899 10 0 FCAELP CC(C)([NH3+])CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000418799478 489730442 /nfs/dbraw/zinc/73/04/42/489730442.db2.gz IBBMTKOWRGPMOC-GFCCVEGCSA-N 2 2 368.428 0.899 10 0 FCAELP C[NH2+]C1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000563880524 491274727 /nfs/dbraw/zinc/27/47/27/491274727.db2.gz QZARATRZZUXWRD-UHFFFAOYSA-N 2 2 350.488 0.603 10 0 FCAELP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000418866846 489765979 /nfs/dbraw/zinc/76/59/79/489765979.db2.gz NGXSPZUIBUSMPV-OCCSQVGLSA-N 2 2 358.364 0.430 10 0 FCAELP CC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000418866846 489765984 /nfs/dbraw/zinc/76/59/84/489765984.db2.gz NGXSPZUIBUSMPV-OCCSQVGLSA-N 2 2 358.364 0.430 10 0 FCAELP O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000490654160 489779316 /nfs/dbraw/zinc/77/93/16/489779316.db2.gz SZEYPYMAKDDFLS-FUHWJXTLSA-N 2 2 374.485 0.914 10 0 FCAELP O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000490654160 489779319 /nfs/dbraw/zinc/77/93/19/489779319.db2.gz SZEYPYMAKDDFLS-FUHWJXTLSA-N 2 2 374.485 0.914 10 0 FCAELP CC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418904704 489784097 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/nfs/dbraw/zinc/78/84/22/489788422.db2.gz SRGLSKCLNJEZRI-ONERCXAPSA-N 2 2 354.401 0.537 10 0 FCAELP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000418916782 489789799 /nfs/dbraw/zinc/78/97/99/489789799.db2.gz SLBCWLKSOVQNHF-YJBOKZPZSA-N 2 2 374.485 0.249 10 0 FCAELP CN(C(=O)C(=O)N1CCn2c[nH+]cc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459925814 489796486 /nfs/dbraw/zinc/79/64/86/489796486.db2.gz USXMEDIXZWRMEK-KRWDZBQOSA-N 2 2 367.453 0.958 10 0 FCAELP CN(C(=O)C(=O)N1CCn2c[nH+]cc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459925814 489796490 /nfs/dbraw/zinc/79/64/90/489796490.db2.gz USXMEDIXZWRMEK-KRWDZBQOSA-N 2 2 367.453 0.958 10 0 FCAELP CO[C@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC[C@H]1C ZINC000459993892 489811400 /nfs/dbraw/zinc/81/14/00/489811400.db2.gz UDQHDSQSDDZUIK-WBVHZDCISA-N 2 2 368.522 0.354 10 0 FCAELP CO[C@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC[C@H]1C ZINC000459993892 489811405 /nfs/dbraw/zinc/81/14/05/489811405.db2.gz UDQHDSQSDDZUIK-WBVHZDCISA-N 2 2 368.522 0.354 10 0 FCAELP COc1ccc([C@@H](NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)c2[nH+]ccn2C)cc1 ZINC000419081046 489849712 /nfs/dbraw/zinc/84/97/12/489849712.db2.gz ZDXHLLZIXMFYDP-XJKSGUPXSA-N 2 2 371.441 0.455 10 0 FCAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)C(=O)N2CC[C@H]([NH3+])C2)c(C)c1 ZINC000419108673 489858035 /nfs/dbraw/zinc/85/80/35/489858035.db2.gz MAHLJLRFGMTCPL-RDJZCZTQSA-N 2 2 355.442 0.917 10 0 FCAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000419113175 489861026 /nfs/dbraw/zinc/86/10/26/489861026.db2.gz QKXNNSAKIOTISN-WBVHZDCISA-N 2 2 355.442 0.836 10 0 FCAELP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC2)s1 ZINC000420061919 489899349 /nfs/dbraw/zinc/89/93/49/489899349.db2.gz LXWQUFGGMSCQPU-MRXNPFEDSA-N 2 2 364.515 0.808 10 0 FCAELP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000433935512 489905702 /nfs/dbraw/zinc/90/57/02/489905702.db2.gz VXDGPCMVPPTCSL-UHFFFAOYSA-N 2 2 356.511 0.851 10 0 FCAELP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000433935512 489905704 /nfs/dbraw/zinc/90/57/04/489905704.db2.gz VXDGPCMVPPTCSL-UHFFFAOYSA-N 2 2 356.511 0.851 10 0 FCAELP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000420099646 489911074 /nfs/dbraw/zinc/91/10/74/489911074.db2.gz BNJATOSNMWTQJQ-JFIYKMOQSA-N 2 2 358.486 0.834 10 0 FCAELP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000420099646 489911077 /nfs/dbraw/zinc/91/10/77/489911077.db2.gz BNJATOSNMWTQJQ-JFIYKMOQSA-N 2 2 358.486 0.834 10 0 FCAELP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000420108358 489914462 /nfs/dbraw/zinc/91/44/62/489914462.db2.gz CDXWZYLLQANHDZ-INMHGKMJSA-N 2 2 359.474 0.401 10 0 FCAELP CC1=CC[N@H+](CCNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000545162230 490088858 /nfs/dbraw/zinc/08/88/58/490088858.db2.gz AOVNHDCKJLNZPY-UHFFFAOYSA-N 2 2 362.478 0.989 10 0 FCAELP CC1=CC[N@@H+](CCNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000545162230 490088860 /nfs/dbraw/zinc/08/88/60/490088860.db2.gz AOVNHDCKJLNZPY-UHFFFAOYSA-N 2 2 362.478 0.989 10 0 FCAELP CC[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1nnc2n1CCCCC2 ZINC000520396995 490141779 /nfs/dbraw/zinc/14/17/79/490141779.db2.gz YDNQKBFMZXEVAL-JKSUJKDBSA-N 2 2 350.511 0.654 10 0 FCAELP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)C[C@@H](C)O1 ZINC000408016631 490209280 /nfs/dbraw/zinc/20/92/80/490209280.db2.gz LPYLNYHLHUYZCZ-VQHPVUNQSA-N 2 2 354.495 0.600 10 0 FCAELP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)C[C@@H](C)O1 ZINC000408016631 490209286 /nfs/dbraw/zinc/20/92/86/490209286.db2.gz LPYLNYHLHUYZCZ-VQHPVUNQSA-N 2 2 354.495 0.600 10 0 FCAELP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000422256508 490209532 /nfs/dbraw/zinc/20/95/32/490209532.db2.gz GBNSCKLMWYVHSU-HUUCEWRRSA-N 2 2 363.506 0.952 10 0 FCAELP CCC(=O)N[C@H]1CCC[NH+](CC(O)C[N@H+]2CCC[C@H](NC(=O)CC)C2)C1 ZINC000447348470 490222088 /nfs/dbraw/zinc/22/20/88/490222088.db2.gz RRIQPUWATJMZMI-HOTGVXAUSA-N 2 2 368.522 0.329 10 0 FCAELP CCC(=O)N[C@H]1CCC[NH+](CC(O)C[N@@H+]2CCC[C@H](NC(=O)CC)C2)C1 ZINC000447348470 490222093 /nfs/dbraw/zinc/22/20/93/490222093.db2.gz RRIQPUWATJMZMI-HOTGVXAUSA-N 2 2 368.522 0.329 10 0 FCAELP CCC(=O)N[C@@H]1CCC[NH+](CC(O)C[N@H+]2CCC[C@@H](NC(=O)CC)C2)C1 ZINC000447348471 490222150 /nfs/dbraw/zinc/22/21/50/490222150.db2.gz RRIQPUWATJMZMI-HZPDHXFCSA-N 2 2 368.522 0.329 10 0 FCAELP CCC(=O)N[C@@H]1CCC[NH+](CC(O)C[N@@H+]2CCC[C@@H](NC(=O)CC)C2)C1 ZINC000447348471 490222152 /nfs/dbraw/zinc/22/21/52/490222152.db2.gz RRIQPUWATJMZMI-HZPDHXFCSA-N 2 2 368.522 0.329 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000422323537 490258281 /nfs/dbraw/zinc/25/82/81/490258281.db2.gz GECHXWWYTSARLQ-SFHVURJKSA-N 2 2 369.469 0.860 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000422323537 490258294 /nfs/dbraw/zinc/25/82/94/490258294.db2.gz GECHXWWYTSARLQ-SFHVURJKSA-N 2 2 369.469 0.860 10 0 FCAELP Cn1ccnc1[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000571516854 491312604 /nfs/dbraw/zinc/31/26/04/491312604.db2.gz SDKNLUPSZCNGTB-QZTJIDSGSA-N 2 2 361.465 0.847 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000422342346 490267573 /nfs/dbraw/zinc/26/75/73/490267573.db2.gz SARVQLGQEMOWKO-KRWDZBQOSA-N 2 2 361.490 0.992 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000422342346 490267583 /nfs/dbraw/zinc/26/75/83/490267583.db2.gz SARVQLGQEMOWKO-KRWDZBQOSA-N 2 2 361.490 0.992 10 0 FCAELP C[C@@H]1OCC[C@H]1[N@H+](CCO)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000483291020 490301325 /nfs/dbraw/zinc/30/13/25/490301325.db2.gz JDVSGBMLBBRPHH-DOTOQJQBSA-N 2 2 367.515 0.864 10 0 FCAELP C[C@@H]1OCC[C@H]1[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000483291020 490301329 /nfs/dbraw/zinc/30/13/29/490301329.db2.gz JDVSGBMLBBRPHH-DOTOQJQBSA-N 2 2 367.515 0.864 10 0 FCAELP CC[NH+]1CCC(CNC(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC000564592960 491315831 /nfs/dbraw/zinc/31/58/31/491315831.db2.gz FLSIBXCEAMFBLQ-UHFFFAOYSA-N 2 2 374.489 0.282 10 0 FCAELP C[C@H]1OCC[C@H]1[N@H+](CCO)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000483300054 490305200 /nfs/dbraw/zinc/30/52/00/490305200.db2.gz XLIQAUHXGWSZPN-IAGOWNOFSA-N 2 2 362.474 0.592 10 0 FCAELP C[C@H]1OCC[C@H]1[N@@H+](CCO)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000483300054 490305206 /nfs/dbraw/zinc/30/52/06/490305206.db2.gz XLIQAUHXGWSZPN-IAGOWNOFSA-N 2 2 362.474 0.592 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000422469316 490338335 /nfs/dbraw/zinc/33/83/35/490338335.db2.gz CSTWKCZNWAXLIQ-CQSZACIVSA-N 2 2 359.430 0.130 10 0 FCAELP C[NH+]1CCN(c2cccc(C(=O)N3CC[C@H](C[NH+]4CCOCC4)C3)n2)CC1 ZINC000534312218 490348438 /nfs/dbraw/zinc/34/84/38/490348438.db2.gz CBXZJDPAKZAZMJ-QGZVFWFLSA-N 2 2 373.501 0.628 10 0 FCAELP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NCCc2cn(C)c[nH+]2)o1 ZINC000422481553 490349268 /nfs/dbraw/zinc/34/92/68/490349268.db2.gz WXDQLMVPFXJDNF-UHFFFAOYSA-N 2 2 361.446 0.571 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)c1 ZINC000422481987 490349501 /nfs/dbraw/zinc/34/95/01/490349501.db2.gz XWKUWPBLRQWBQL-UHFFFAOYSA-N 2 2 363.487 0.731 10 0 FCAELP O=C(NCCNc1cc[nH+]cc1)NCc1ccc[nH+]c1N1CCOCC1 ZINC000535260861 490471252 /nfs/dbraw/zinc/47/12/52/490471252.db2.gz HVUKBRUFTDINSA-UHFFFAOYSA-N 2 2 356.430 0.646 10 0 FCAELP O=C1NC2(CCCC2)C(=O)N1CCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422780548 490476680 /nfs/dbraw/zinc/47/66/80/490476680.db2.gz HRBNGTOYKDITSF-LSDHHAIUSA-N 2 2 350.463 0.598 10 0 FCAELP C[NH+]1CCN(c2nc3ccccc3nc2N2CC[NH+](CCCO)CC2)CC1 ZINC000484907464 490477807 /nfs/dbraw/zinc/47/78/07/490477807.db2.gz SEZMQNXJYJFBEK-UHFFFAOYSA-N 2 2 370.501 0.886 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000535313031 490478276 /nfs/dbraw/zinc/47/82/76/490478276.db2.gz KCIABPNMWQQQBE-IAGOWNOFSA-N 3 2 363.506 0.682 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000535313031 490478281 /nfs/dbraw/zinc/47/82/81/490478281.db2.gz KCIABPNMWQQQBE-IAGOWNOFSA-N 3 2 363.506 0.682 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000535313031 490478284 /nfs/dbraw/zinc/47/82/84/490478284.db2.gz KCIABPNMWQQQBE-IAGOWNOFSA-N 3 2 363.506 0.682 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000535313031 490478287 /nfs/dbraw/zinc/47/82/87/490478287.db2.gz KCIABPNMWQQQBE-IAGOWNOFSA-N 3 2 363.506 0.682 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](c3nccn3C)C2)C1 ZINC000535313031 490478292 /nfs/dbraw/zinc/47/82/92/490478292.db2.gz KCIABPNMWQQQBE-IAGOWNOFSA-N 2 2 363.506 0.682 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](c3nccn3C)C2)C1 ZINC000535313031 490478294 /nfs/dbraw/zinc/47/82/94/490478294.db2.gz KCIABPNMWQQQBE-IAGOWNOFSA-N 2 2 363.506 0.682 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H](c3nccn3C)C2)C1 ZINC000535313031 490478298 /nfs/dbraw/zinc/47/82/98/490478298.db2.gz KCIABPNMWQQQBE-IAGOWNOFSA-N 2 2 363.506 0.682 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@H](c3nccn3C)C2)C1 ZINC000535313031 490478303 /nfs/dbraw/zinc/47/83/03/490478303.db2.gz KCIABPNMWQQQBE-IAGOWNOFSA-N 2 2 363.506 0.682 10 0 FCAELP CC(C)C(=O)N1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000535429944 490490443 /nfs/dbraw/zinc/49/04/43/490490443.db2.gz GKXHVRCKKWWUDV-UHFFFAOYSA-N 2 2 353.511 0.522 10 0 FCAELP Cn1ncc2c1nc(NCC1(O)CC[NH+](Cc3ccccc3)CC1)[nH+]c2N ZINC000413581028 490504779 /nfs/dbraw/zinc/50/47/79/490504779.db2.gz LQALHJOXLLZAEW-UHFFFAOYSA-N 2 2 367.457 1.385 10 0 FCAELP C[C@H](CNC(=O)c1cccc(N2CC[NH+](C)CC2)n1)C[NH+]1CCOCC1 ZINC000535760960 490524030 /nfs/dbraw/zinc/52/40/30/490524030.db2.gz ANYBJGMKUUGWOL-MRXNPFEDSA-N 2 2 361.490 0.532 10 0 FCAELP CCOC(=O)c1ccc(N2CC([NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)nc1 ZINC000423030408 490524598 /nfs/dbraw/zinc/52/45/98/490524598.db2.gz JOSLFCJWGHILGD-SJLPKXTDSA-N 2 2 360.458 0.804 10 0 FCAELP O=C(NC1CC([NH+]2CCCCC2)C1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000511963653 490644774 /nfs/dbraw/zinc/64/47/74/490644774.db2.gz FHRBRSFRKZHYQJ-KLAILNCOSA-N 2 2 371.485 0.910 10 0 FCAELP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C[C@@H](C)O1 ZINC000550574660 490677109 /nfs/dbraw/zinc/67/71/09/490677109.db2.gz GVWKFKIQBAVRSL-HUUCEWRRSA-N 2 2 366.506 0.297 10 0 FCAELP COc1cc2c(cc1OC)C[N@H+](CC(=O)NC[C@@](C)(O)C[NH+](C)C)CC2 ZINC000502889897 490727563 /nfs/dbraw/zinc/72/75/63/490727563.db2.gz ZWVRYQOYNOMPNL-LJQANCHMSA-N 2 2 365.474 0.491 10 0 FCAELP COc1cc2c(cc1OC)C[N@@H+](CC(=O)NC[C@@](C)(O)C[NH+](C)C)CC2 ZINC000502889897 490727564 /nfs/dbraw/zinc/72/75/64/490727564.db2.gz ZWVRYQOYNOMPNL-LJQANCHMSA-N 2 2 365.474 0.491 10 0 FCAELP COCCN(CC[NH+](C)C)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000538346977 490727702 /nfs/dbraw/zinc/72/77/02/490727702.db2.gz XOJBRYMPIQITLF-UHFFFAOYSA-N 2 2 350.463 0.564 10 0 FCAELP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000538684842 490744598 /nfs/dbraw/zinc/74/45/98/490744598.db2.gz TVBPSNLFAAVZCY-INIZCTEOSA-N 2 2 373.501 0.917 10 0 FCAELP CCCCNc1cc(NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)nc(N)[nH+]1 ZINC000528129640 490779246 /nfs/dbraw/zinc/77/92/46/490779246.db2.gz KBFCTJDDGLRCHD-SFHVURJKSA-N 2 2 364.494 0.720 10 0 FCAELP CCCCNc1cc(NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)nc(N)[nH+]1 ZINC000528129640 490779252 /nfs/dbraw/zinc/77/92/52/490779252.db2.gz KBFCTJDDGLRCHD-SFHVURJKSA-N 2 2 364.494 0.720 10 0 FCAELP C[N@H+]1CC=C(CNC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000539473494 490784814 /nfs/dbraw/zinc/78/48/14/490784814.db2.gz DULQOIVBAIIRAK-UHFFFAOYSA-N 2 2 363.506 0.492 10 0 FCAELP C[N@@H+]1CC=C(CNC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000539473494 490784817 /nfs/dbraw/zinc/78/48/17/490784817.db2.gz DULQOIVBAIIRAK-UHFFFAOYSA-N 2 2 363.506 0.492 10 0 FCAELP O=C(Cn1c[nH+]c2c1CCCC2)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000539797767 490796275 /nfs/dbraw/zinc/79/62/75/490796275.db2.gz ZAEGDYVCEKCARH-MRXNPFEDSA-N 2 2 362.474 0.712 10 0 FCAELP O=C(Nc1ccc2[nH+]ccn2c1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000528682259 490819525 /nfs/dbraw/zinc/81/95/25/490819525.db2.gz YJFOARHHTFEWLI-UHFFFAOYSA-N 2 2 357.418 0.509 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N[C@@H]2CC[NH2+]C23CCC3)C1=O ZINC000529320449 490851593 /nfs/dbraw/zinc/85/15/93/490851593.db2.gz DWQMYLHJARWHKT-UONOGXRCSA-N 2 2 360.462 0.495 10 0 FCAELP O=C(C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)N1CC[NH+](C2CCCC2)CC1 ZINC000516562161 490868044 /nfs/dbraw/zinc/86/80/44/490868044.db2.gz BINHBCNFJPANBW-GOSISDBHSA-N 2 2 371.485 0.641 10 0 FCAELP CN(C(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000516959077 490887401 /nfs/dbraw/zinc/88/74/01/490887401.db2.gz OFBDHQFCQUMJNS-QGZVFWFLSA-N 2 2 371.485 0.993 10 0 FCAELP CN(C(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000516959077 490887403 /nfs/dbraw/zinc/88/74/03/490887403.db2.gz 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C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C[N@@H+]1C1CC1 ZINC000543042340 490919983 /nfs/dbraw/zinc/91/99/83/490919983.db2.gz VETNAMLTGXHEPO-FMKPAKJESA-N 2 2 374.489 0.836 10 0 FCAELP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C[N@H+]1C1CC1 ZINC000543042340 490919984 /nfs/dbraw/zinc/91/99/84/490919984.db2.gz VETNAMLTGXHEPO-FMKPAKJESA-N 2 2 374.489 0.836 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)N2CCC[C@H]([NH+](C)C)C2)C1=O ZINC000543049876 490920407 /nfs/dbraw/zinc/92/04/07/490920407.db2.gz GOHALDPMNQNAAR-LSDHHAIUSA-N 2 2 362.478 0.647 10 0 FCAELP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000543947046 490952888 /nfs/dbraw/zinc/95/28/88/490952888.db2.gz IEJJCDZANLRBRV-UONOGXRCSA-N 2 2 359.434 0.496 10 0 FCAELP C[C@H](NC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)C1=CC[N@H+](C)CC1 ZINC000543967265 490953271 /nfs/dbraw/zinc/95/32/71/490953271.db2.gz OTLFQCCNBOAKLB-GOEBONIOSA-N 2 2 374.489 0.861 10 0 FCAELP 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C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)c1ccco1 ZINC000668356486 493339132 /nfs/dbraw/zinc/33/91/32/493339132.db2.gz RAAVGVQQLDYVGS-KBPBESRZSA-N 2 2 350.463 0.988 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@H]1c1ccc(F)c(F)c1 ZINC000572875625 491399483 /nfs/dbraw/zinc/39/94/83/491399483.db2.gz QUVITGYRHKSOMX-YQQAZPJKSA-N 2 2 366.412 0.694 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@H]1c1ccc(F)c(F)c1 ZINC000572875625 491399485 /nfs/dbraw/zinc/39/94/85/491399485.db2.gz QUVITGYRHKSOMX-YQQAZPJKSA-N 2 2 366.412 0.694 10 0 FCAELP C[N@H+](CC(=O)Nc1ccc2c(c1)C[NH+](CC(N)=O)CC2)[C@@H]1CCSC1 ZINC000573193780 491418340 /nfs/dbraw/zinc/41/83/40/491418340.db2.gz LVBBFMAMCAHPOO-MRXNPFEDSA-N 2 2 362.499 0.906 10 0 FCAELP C[N@@H+](CC(=O)Nc1ccc2c(c1)C[NH+](CC(N)=O)CC2)[C@@H]1CCSC1 ZINC000573193780 491418343 /nfs/dbraw/zinc/41/83/43/491418343.db2.gz LVBBFMAMCAHPOO-MRXNPFEDSA-N 2 2 362.499 0.906 10 0 FCAELP C[NH+](CC(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2)[C@@H]1CCSC1 ZINC000573193780 491418345 /nfs/dbraw/zinc/41/83/45/491418345.db2.gz LVBBFMAMCAHPOO-MRXNPFEDSA-N 2 2 362.499 0.906 10 0 FCAELP C[NH+](CC(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2)[C@@H]1CCSC1 ZINC000573193780 491418347 /nfs/dbraw/zinc/41/83/47/491418347.db2.gz LVBBFMAMCAHPOO-MRXNPFEDSA-N 2 2 362.499 0.906 10 0 FCAELP C[NH+]1CCC(CNC(=O)COC2CC[NH2+]CC2)([NH+]2CCCCC2)CC1 ZINC000573203426 491418750 /nfs/dbraw/zinc/41/87/50/491418750.db2.gz FWFJVIIOOCVXPT-UHFFFAOYSA-N 3 2 352.523 0.822 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)NCc2ccc(C[NH3+])cc2)C1=O ZINC000566192614 491424306 /nfs/dbraw/zinc/42/43/06/491424306.db2.gz OYICRDVZYVTMBD-INIZCTEOSA-N 2 2 370.457 0.869 10 0 FCAELP COCCCS(=O)(=O)N1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000566351745 491439151 /nfs/dbraw/zinc/43/91/51/491439151.db2.gz ZYYJKEMMNWIMCO-UHFFFAOYSA-N 2 2 367.515 0.816 10 0 FCAELP CC1(C)C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@]2(CCOC2)O1 ZINC000558824199 491446429 /nfs/dbraw/zinc/44/64/29/491446429.db2.gz YYASNYRWOSPKGY-LJQANCHMSA-N 2 2 351.491 0.999 10 0 FCAELP CC1(C)C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@]2(CCOC2)O1 ZINC000558824199 491446430 /nfs/dbraw/zinc/44/64/30/491446430.db2.gz YYASNYRWOSPKGY-LJQANCHMSA-N 2 2 351.491 0.999 10 0 FCAELP CCN(C(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000668418532 493350196 /nfs/dbraw/zinc/35/01/96/493350196.db2.gz HFMJTYRNMHGESI-OWCLPIDISA-N 2 2 368.522 0.543 10 0 FCAELP CCN(C(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000668418532 493350199 /nfs/dbraw/zinc/35/01/99/493350199.db2.gz HFMJTYRNMHGESI-OWCLPIDISA-N 2 2 368.522 0.543 10 0 FCAELP COCC[NH2+]C1CCN(C(=O)C(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000574407399 491494237 /nfs/dbraw/zinc/49/42/37/491494237.db2.gz NVZCRMUKEYBPIL-UHFFFAOYSA-N 2 2 359.430 0.178 10 0 FCAELP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000574549050 491504655 /nfs/dbraw/zinc/50/46/55/491504655.db2.gz BDZWPKMTXMQLNC-BRSBDYLESA-N 2 2 368.522 0.726 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000574549050 491504656 /nfs/dbraw/zinc/50/46/56/491504656.db2.gz BDZWPKMTXMQLNC-BRSBDYLESA-N 2 2 368.522 0.726 10 0 FCAELP CC[N@@H+]1CCCN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000559900176 491508802 /nfs/dbraw/zinc/50/88/02/491508802.db2.gz OFCMNTVTLYXPND-UHFFFAOYSA-N 2 2 359.474 0.721 10 0 FCAELP CC[N@H+]1CCCN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000559900176 491508804 /nfs/dbraw/zinc/50/88/04/491508804.db2.gz OFCMNTVTLYXPND-UHFFFAOYSA-N 2 2 359.474 0.721 10 0 FCAELP CC(C)[NH+]1CCN(C(=O)N[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CC1 ZINC000567509760 491511095 /nfs/dbraw/zinc/51/10/95/491511095.db2.gz GVCDZFLFOIDHEJ-OAHLLOKOSA-N 2 2 362.478 0.647 10 0 FCAELP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000567572199 491514581 /nfs/dbraw/zinc/51/45/81/491514581.db2.gz HPIMGSHMRBFXQV-SOUVJXGZSA-N 2 2 362.478 0.822 10 0 FCAELP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000567572254 491514642 /nfs/dbraw/zinc/51/46/42/491514642.db2.gz KZDYNFOAWROMKL-DOTOQJQBSA-N 2 2 354.520 0.730 10 0 FCAELP COC(=O)CC[N@@H+]1CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)C[C@@H]1C ZINC000567589954 491515903 /nfs/dbraw/zinc/51/59/03/491515903.db2.gz KRLNBCPFSSVTMK-XWESNNAXSA-N 2 2 367.490 0.615 10 0 FCAELP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000574791089 491520214 /nfs/dbraw/zinc/52/02/14/491520214.db2.gz JPLAGBOEKNBGBX-MRXNPFEDSA-N 2 2 350.507 0.777 10 0 FCAELP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000574791089 491520215 /nfs/dbraw/zinc/52/02/15/491520215.db2.gz JPLAGBOEKNBGBX-MRXNPFEDSA-N 2 2 350.507 0.777 10 0 FCAELP Cc1nn(C)c(C)c1[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C(F)(F)F ZINC000575233590 491546893 /nfs/dbraw/zinc/54/68/93/491546893.db2.gz OWSSNOUAWCKHKG-WCQYABFASA-N 2 2 362.400 0.925 10 0 FCAELP CCN(C(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000668418532 493350192 /nfs/dbraw/zinc/35/01/92/493350192.db2.gz HFMJTYRNMHGESI-OWCLPIDISA-N 2 2 368.522 0.543 10 0 FCAELP CCN(C(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000668418532 493350194 /nfs/dbraw/zinc/35/01/94/493350194.db2.gz HFMJTYRNMHGESI-OWCLPIDISA-N 2 2 368.522 0.543 10 0 FCAELP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000561173877 491580190 /nfs/dbraw/zinc/58/01/90/491580190.db2.gz COHNTFHXJVVRJZ-QZTJIDSGSA-N 2 2 368.547 0.979 10 0 FCAELP C[C@@H]1COCC[NH+]1CCNc1cncc(NCC[N@H+]2CCOC[C@@H]2C)n1 ZINC000561177396 491580913 /nfs/dbraw/zinc/58/09/13/491580913.db2.gz VVKKHBZWJVSYCX-IYBDPMFKSA-N 2 2 364.494 0.742 10 0 FCAELP C[C@@H]1COCC[NH+]1CCNc1cncc(NCC[N@@H+]2CCOC[C@@H]2C)n1 ZINC000561177396 491580915 /nfs/dbraw/zinc/58/09/15/491580915.db2.gz VVKKHBZWJVSYCX-IYBDPMFKSA-N 2 2 364.494 0.742 10 0 FCAELP C[C@@H]1COCC[N@H+]1CCNc1cncc(NCC[NH+]2CCOC[C@@H]2C)n1 ZINC000561177396 491580918 /nfs/dbraw/zinc/58/09/18/491580918.db2.gz VVKKHBZWJVSYCX-IYBDPMFKSA-N 2 2 364.494 0.742 10 0 FCAELP C[C@@H]1COCC[N@@H+]1CCNc1cncc(NCC[NH+]2CCOC[C@@H]2C)n1 ZINC000561177396 491580921 /nfs/dbraw/zinc/58/09/21/491580921.db2.gz VVKKHBZWJVSYCX-IYBDPMFKSA-N 2 2 364.494 0.742 10 0 FCAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000561180974 491581060 /nfs/dbraw/zinc/58/10/60/491581060.db2.gz MANYVVXWBJVHJD-HNNXBMFYSA-N 2 2 362.478 0.645 10 0 FCAELP CC(C)[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000576176441 491589642 /nfs/dbraw/zinc/58/96/42/491589642.db2.gz NGZKXRHDFAHTSG-ZACQAIPSSA-N 2 2 368.522 0.401 10 0 FCAELP CC(C)[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000576176441 491589649 /nfs/dbraw/zinc/58/96/49/491589649.db2.gz NGZKXRHDFAHTSG-ZACQAIPSSA-N 2 2 368.522 0.401 10 0 FCAELP CCN(C(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1CC[N@H+](C)C1 ZINC000668429604 493353755 /nfs/dbraw/zinc/35/37/55/493353755.db2.gz KMVXGKMIRXZHQK-INIZCTEOSA-N 2 2 359.474 0.851 10 0 FCAELP CCN(C(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1CC[N@@H+](C)C1 ZINC000668429604 493353758 /nfs/dbraw/zinc/35/37/58/493353758.db2.gz KMVXGKMIRXZHQK-INIZCTEOSA-N 2 2 359.474 0.851 10 0 FCAELP C[C@H]1CN(C)C[C@@H]1[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000561402378 491605233 /nfs/dbraw/zinc/60/52/33/491605233.db2.gz ONPLKONEZJGVEC-HOTGVXAUSA-N 2 2 367.519 0.073 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)NCCN2CC[NH2+]CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000577725836 491645883 /nfs/dbraw/zinc/64/58/83/491645883.db2.gz WABUIUBDJVUMBH-SJORKVTESA-N 2 2 367.444 0.914 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)NCCN2CC[NH2+]CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000577725836 491645887 /nfs/dbraw/zinc/64/58/87/491645887.db2.gz WABUIUBDJVUMBH-SJORKVTESA-N 2 2 367.444 0.914 10 0 FCAELP O=C(C[N@H+]1C[C@H](O)C2(CC2)C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000562363327 491667609 /nfs/dbraw/zinc/66/76/09/491667609.db2.gz MUJWLESYDDNNKK-IBGZPJMESA-N 2 2 371.481 0.722 10 0 FCAELP O=C(C[N@@H+]1C[C@H](O)C2(CC2)C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000562363327 491667610 /nfs/dbraw/zinc/66/76/10/491667610.db2.gz MUJWLESYDDNNKK-IBGZPJMESA-N 2 2 371.481 0.722 10 0 FCAELP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000578442093 491677249 /nfs/dbraw/zinc/67/72/49/491677249.db2.gz VUWGMZRUTWPZIM-HNNXBMFYSA-N 2 2 354.414 0.304 10 0 FCAELP CN1CC[NH+]([C@H](CNC(=O)CCOC2C[NH2+]C2)c2cccs2)CC1 ZINC000578863165 491685921 /nfs/dbraw/zinc/68/59/21/491685921.db2.gz HDEWWOZXLKJXCB-OAHLLOKOSA-N 2 2 352.504 0.531 10 0 FCAELP CN1CC[NH+]([C@@H](CNC(=O)CCOC2C[NH2+]C2)c2cccs2)CC1 ZINC000578863164 491685925 /nfs/dbraw/zinc/68/59/25/491685925.db2.gz HDEWWOZXLKJXCB-HNNXBMFYSA-N 2 2 352.504 0.531 10 0 FCAELP CC1(C)[C@@H](O)CC[N@@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000579784389 491705355 /nfs/dbraw/zinc/70/53/55/491705355.db2.gz AHABVAOZQHJTNF-SFHVURJKSA-N 2 2 361.486 0.980 10 0 FCAELP CC1(C)[C@@H](O)CC[N@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000579784389 491705356 /nfs/dbraw/zinc/70/53/56/491705356.db2.gz AHABVAOZQHJTNF-SFHVURJKSA-N 2 2 361.486 0.980 10 0 FCAELP CCOC(=O)c1sc([C@H](C)NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])nc1C ZINC000579932258 491709615 /nfs/dbraw/zinc/70/96/15/491709615.db2.gz CCDUDXAJZDXPAL-NWDGAFQWSA-N 2 2 369.491 0.974 10 0 FCAELP O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000580306600 491725196 /nfs/dbraw/zinc/72/51/96/491725196.db2.gz KMJMBMKLPYMFBC-ZWKOTPCHSA-N 2 2 362.474 0.103 10 0 FCAELP O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000580306600 491725197 /nfs/dbraw/zinc/72/51/97/491725197.db2.gz KMJMBMKLPYMFBC-ZWKOTPCHSA-N 2 2 362.474 0.103 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000580878896 491749730 /nfs/dbraw/zinc/74/97/30/491749730.db2.gz APRDQSJARLYWPI-KRWDZBQOSA-N 2 2 371.485 0.735 10 0 FCAELP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)CCOC2C[NH2+]C2)CC1 ZINC000581806652 491786232 /nfs/dbraw/zinc/78/62/32/491786232.db2.gz WDQSBQYEUHCOTD-UHFFFAOYSA-N 2 2 360.458 0.668 10 0 FCAELP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000581989063 491793026 /nfs/dbraw/zinc/79/30/26/491793026.db2.gz JSSRBCYCDABHSE-UHFFFAOYSA-N 3 2 364.494 0.068 10 0 FCAELP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000581989063 491793027 /nfs/dbraw/zinc/79/30/27/491793027.db2.gz JSSRBCYCDABHSE-UHFFFAOYSA-N 3 2 364.494 0.068 10 0 FCAELP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CCCn4cc[nH+]c43)CC[C@H]21 ZINC000582085348 491797311 /nfs/dbraw/zinc/79/73/11/491797311.db2.gz CQJDQYXDNMPQGS-ARFHVFGLSA-N 2 2 359.474 0.819 10 0 FCAELP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CCCn4cc[nH+]c43)CC[C@H]21 ZINC000582085348 491797312 /nfs/dbraw/zinc/79/73/12/491797312.db2.gz CQJDQYXDNMPQGS-ARFHVFGLSA-N 2 2 359.474 0.819 10 0 FCAELP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000582485438 491814557 /nfs/dbraw/zinc/81/45/57/491814557.db2.gz 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KPHKIYRETYURAN-JJRVBVJISA-N 2 2 365.478 0.149 10 0 FCAELP O[C@H](COc1ccc2c(c1)OCO2)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000607751592 492150934 /nfs/dbraw/zinc/15/09/34/492150934.db2.gz RVDHHGVUVSXHOQ-HOTGVXAUSA-N 2 2 364.442 0.809 10 0 FCAELP O[C@H](COc1ccc2c(c1)OCO2)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000607751592 492150935 /nfs/dbraw/zinc/15/09/35/492150935.db2.gz RVDHHGVUVSXHOQ-HOTGVXAUSA-N 2 2 364.442 0.809 10 0 FCAELP Cc1csc2ncc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(=O)n12 ZINC000617764958 492189964 /nfs/dbraw/zinc/18/99/64/492189964.db2.gz NXVXZPHDZKGHTC-UHFFFAOYSA-N 2 2 351.476 0.678 10 0 FCAELP Cc1csc2ncc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(=O)n12 ZINC000617764958 492189966 /nfs/dbraw/zinc/18/99/66/492189966.db2.gz NXVXZPHDZKGHTC-UHFFFAOYSA-N 2 2 351.476 0.678 10 0 FCAELP Cc1cn2c(ncc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c2=O)s1 ZINC000617764684 492189971 /nfs/dbraw/zinc/18/99/71/492189971.db2.gz CBMXKLPKHCPXCT-UHFFFAOYSA-N 2 2 351.476 0.678 10 0 FCAELP 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/nfs/dbraw/zinc/19/06/53/492190653.db2.gz MBRCDGJVNRRJJL-UHFFFAOYSA-N 2 2 361.494 0.673 10 0 FCAELP Cc1nc2ncnn2c(C)c1CCC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768609 492190654 /nfs/dbraw/zinc/19/06/54/492190654.db2.gz MBRCDGJVNRRJJL-UHFFFAOYSA-N 2 2 361.494 0.673 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cn1cnc2sccc2c1=O ZINC000617768880 492191570 /nfs/dbraw/zinc/19/15/70/492191570.db2.gz YAKGVQSBYIVHSR-UHFFFAOYSA-N 2 2 351.476 0.458 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cn1cnc2sccc2c1=O ZINC000617768880 492191573 /nfs/dbraw/zinc/19/15/73/492191573.db2.gz YAKGVQSBYIVHSR-UHFFFAOYSA-N 2 2 351.476 0.458 10 0 FCAELP CN1CC[N@H+](C)C[C@H]1CNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000600477168 492273743 /nfs/dbraw/zinc/27/37/43/492273743.db2.gz KKKMUXJDGMTKAC-LJQANCHMSA-N 2 2 359.518 0.166 10 0 FCAELP CN1CC[N@@H+](C)C[C@H]1CNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000600477168 492273744 /nfs/dbraw/zinc/27/37/44/492273744.db2.gz KKKMUXJDGMTKAC-LJQANCHMSA-N 2 2 359.518 0.166 10 0 FCAELP C[NH+]1CCC(C(=O)NC[C@]2(CO)COCC[N@@H+]2Cc2ccccc2)CC1 ZINC000619943786 492284223 /nfs/dbraw/zinc/28/42/23/492284223.db2.gz GZBMEAUOFRPRHU-FQEVSTJZSA-N 2 2 361.486 0.708 10 0 FCAELP C[NH+]1CCC(C(=O)NC[C@]2(CO)COCC[N@H+]2Cc2ccccc2)CC1 ZINC000619943786 492284224 /nfs/dbraw/zinc/28/42/24/492284224.db2.gz GZBMEAUOFRPRHU-FQEVSTJZSA-N 2 2 361.486 0.708 10 0 FCAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000627458359 492303931 /nfs/dbraw/zinc/30/39/31/492303931.db2.gz DOBALNYDBWJCHT-LSDHHAIUSA-N 2 2 350.488 0.649 10 0 FCAELP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)NCCOCC[NH2+]C ZINC000627462456 492305465 /nfs/dbraw/zinc/30/54/65/492305465.db2.gz UJVOGZVLGHZIHO-AWEZNQCLSA-N 2 2 351.451 0.309 10 0 FCAELP C[C@H](CNC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000654460523 492307571 /nfs/dbraw/zinc/30/75/71/492307571.db2.gz DFTGCFVLCUKCAW-TVFCKZIOSA-N 2 2 369.554 0.667 10 0 FCAELP C[C@H](CNC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000654460523 492307575 /nfs/dbraw/zinc/30/75/75/492307575.db2.gz DFTGCFVLCUKCAW-TVFCKZIOSA-N 2 2 369.554 0.667 10 0 FCAELP C[C@H](CNC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC000654460523 492307578 /nfs/dbraw/zinc/30/75/78/492307578.db2.gz DFTGCFVLCUKCAW-TVFCKZIOSA-N 2 2 369.554 0.667 10 0 FCAELP C[C@H](CNC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC000654460523 492307580 /nfs/dbraw/zinc/30/75/80/492307580.db2.gz DFTGCFVLCUKCAW-TVFCKZIOSA-N 2 2 369.554 0.667 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)NCCOCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000627484543 492318652 /nfs/dbraw/zinc/31/86/52/492318652.db2.gz AUNRPFPVSVBRPV-INIZCTEOSA-N 2 2 362.474 0.201 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)NCCOCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000627484543 492318658 /nfs/dbraw/zinc/31/86/58/492318658.db2.gz AUNRPFPVSVBRPV-INIZCTEOSA-N 2 2 362.474 0.201 10 0 FCAELP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)NCCOCCC[NH3+])c1C ZINC000627487174 492319471 /nfs/dbraw/zinc/31/94/71/492319471.db2.gz WGCWQPGHIPREQE-UHFFFAOYSA-N 2 2 352.435 0.147 10 0 FCAELP C[C@H](CNC(=O)N1CC[NH+](C2CCOCC2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650495 492330664 /nfs/dbraw/zinc/33/06/64/492330664.db2.gz GSTGUYDHMQQUSB-ZACQAIPSSA-N 2 2 368.522 0.990 10 0 FCAELP C[C@H](CNC(=O)N1CC[NH+](C2CCOCC2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650495 492330665 /nfs/dbraw/zinc/33/06/65/492330665.db2.gz GSTGUYDHMQQUSB-ZACQAIPSSA-N 2 2 368.522 0.990 10 0 FCAELP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652968 492331595 /nfs/dbraw/zinc/33/15/95/492331595.db2.gz UFTQZDICQQHBDB-XDNAFOTISA-N 2 2 369.554 0.809 10 0 FCAELP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652968 492331596 /nfs/dbraw/zinc/33/15/96/492331596.db2.gz UFTQZDICQQHBDB-XDNAFOTISA-N 2 2 369.554 0.809 10 0 FCAELP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652968 492331598 /nfs/dbraw/zinc/33/15/98/492331598.db2.gz UFTQZDICQQHBDB-XDNAFOTISA-N 2 2 369.554 0.809 10 0 FCAELP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652968 492331601 /nfs/dbraw/zinc/33/16/01/492331601.db2.gz UFTQZDICQQHBDB-XDNAFOTISA-N 2 2 369.554 0.809 10 0 FCAELP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CCO1 ZINC000642519134 492360868 /nfs/dbraw/zinc/36/08/68/492360868.db2.gz GEHJAFOPGDPHRS-ZWNOBZJWSA-N 2 2 365.821 0.179 10 0 FCAELP C[C@](O)(C[C@@H](O)C[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)C1CC1 ZINC000634700285 492360883 /nfs/dbraw/zinc/36/08/83/492360883.db2.gz WRDMIPYSDXZJHQ-MJGOQNOKSA-N 2 2 363.506 0.490 10 0 FCAELP CC1(C)C[NH2+]CC[C@@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000634760340 492366999 /nfs/dbraw/zinc/36/69/99/492366999.db2.gz BSAKZOVPWJCIEX-JKSUJKDBSA-N 2 2 366.506 0.062 10 0 FCAELP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000654886703 492370432 /nfs/dbraw/zinc/37/04/32/492370432.db2.gz KNXCKBZXUAPTHA-WOVMCDHWSA-N 2 2 374.485 0.914 10 0 FCAELP NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647899638 492380119 /nfs/dbraw/zinc/38/01/19/492380119.db2.gz RIEYQQLAWRRQRZ-XJKSGUPXSA-N 2 2 366.487 0.737 10 0 FCAELP NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647899638 492380122 /nfs/dbraw/zinc/38/01/22/492380122.db2.gz RIEYQQLAWRRQRZ-XJKSGUPXSA-N 2 2 366.487 0.737 10 0 FCAELP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)N1CCN(c2cnccn2)CC1 ZINC000647903693 492381098 /nfs/dbraw/zinc/38/10/98/492381098.db2.gz OJICSDSYZFWEHP-DLBZAZTESA-N 2 2 358.490 0.589 10 0 FCAELP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)N1CCN(c2cnccn2)CC1 ZINC000647903693 492381101 /nfs/dbraw/zinc/38/11/01/492381101.db2.gz OJICSDSYZFWEHP-DLBZAZTESA-N 2 2 358.490 0.589 10 0 FCAELP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000642731447 492381859 /nfs/dbraw/zinc/38/18/59/492381859.db2.gz JPWCHKGNFYXTKC-HOTGVXAUSA-N 2 2 355.527 0.109 10 0 FCAELP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000642731447 492381863 /nfs/dbraw/zinc/38/18/63/492381863.db2.gz JPWCHKGNFYXTKC-HOTGVXAUSA-N 2 2 355.527 0.109 10 0 FCAELP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000642731447 492381866 /nfs/dbraw/zinc/38/18/66/492381866.db2.gz JPWCHKGNFYXTKC-HOTGVXAUSA-N 2 2 355.527 0.109 10 0 FCAELP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000642731447 492381870 /nfs/dbraw/zinc/38/18/70/492381870.db2.gz JPWCHKGNFYXTKC-HOTGVXAUSA-N 2 2 355.527 0.109 10 0 FCAELP [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)NC1CCN(c3cccc[nH+]3)CC1)C2 ZINC000621843862 492424391 /nfs/dbraw/zinc/42/43/91/492424391.db2.gz MPAXDBZTLNHGNH-IFXJQAMLSA-N 2 2 357.458 0.506 10 0 FCAELP CC(=O)N1CC[NH+](CCNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000635295132 492431069 /nfs/dbraw/zinc/43/10/69/492431069.db2.gz MZANQMVRSWRHSO-ZDUSSCGKSA-N 2 2 361.368 0.657 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622029767 492444376 /nfs/dbraw/zinc/44/43/76/492444376.db2.gz LBYYTLNUUQZNDH-HNAYVOBHSA-N 2 2 357.458 0.378 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622029768 492444455 /nfs/dbraw/zinc/44/44/55/492444455.db2.gz LBYYTLNUUQZNDH-KXBFYZLASA-N 2 2 357.458 0.378 10 0 FCAELP [NH3+]C[C@@H](NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(F)(F)F ZINC000655515288 492451043 /nfs/dbraw/zinc/45/10/43/492451043.db2.gz LOYNSWASAXVQFB-GFCCVEGCSA-N 2 2 373.379 0.516 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@H]3CCCC[NH+]3CCO)C2)CC1 ZINC000655552372 492455893 /nfs/dbraw/zinc/45/58/93/492455893.db2.gz XIURTFWXEOQLQR-AEFFLSMTSA-N 3 2 367.538 0.301 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@@H]3CCCC[NH+]3CCO)C2)CC1 ZINC000655552372 492455895 /nfs/dbraw/zinc/45/58/95/492455895.db2.gz XIURTFWXEOQLQR-AEFFLSMTSA-N 3 2 367.538 0.301 10 0 FCAELP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)NC[C@@H]3CCCC[N@@H+]3CCO)C2)CC1 ZINC000655552372 492455900 /nfs/dbraw/zinc/45/59/00/492455900.db2.gz XIURTFWXEOQLQR-AEFFLSMTSA-N 3 2 367.538 0.301 10 0 FCAELP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)NC[C@@H]3CCCC[N@H+]3CCO)C2)CC1 ZINC000655552372 492455904 /nfs/dbraw/zinc/45/59/04/492455904.db2.gz XIURTFWXEOQLQR-AEFFLSMTSA-N 3 2 367.538 0.301 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H]3CCCC[NH+]3CCO)C2)CC1 ZINC000655552374 492455933 /nfs/dbraw/zinc/45/59/33/492455933.db2.gz XIURTFWXEOQLQR-FUHWJXTLSA-N 3 2 367.538 0.301 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H]3CCCC[NH+]3CCO)C2)CC1 ZINC000655552374 492455939 /nfs/dbraw/zinc/45/59/39/492455939.db2.gz XIURTFWXEOQLQR-FUHWJXTLSA-N 3 2 367.538 0.301 10 0 FCAELP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)NC[C@H]3CCCC[N@@H+]3CCO)C2)CC1 ZINC000655552374 492455942 /nfs/dbraw/zinc/45/59/42/492455942.db2.gz XIURTFWXEOQLQR-FUHWJXTLSA-N 3 2 367.538 0.301 10 0 FCAELP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)NC[C@H]3CCCC[N@H+]3CCO)C2)CC1 ZINC000655552374 492455945 /nfs/dbraw/zinc/45/59/45/492455945.db2.gz XIURTFWXEOQLQR-FUHWJXTLSA-N 3 2 367.538 0.301 10 0 FCAELP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000643509178 492484460 /nfs/dbraw/zinc/48/44/60/492484460.db2.gz CPTFKTFFKXZZAK-NVXWUHKLSA-N 2 2 366.506 0.286 10 0 FCAELP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000643516552 492487190 /nfs/dbraw/zinc/48/71/90/492487190.db2.gz QELJHTHYEOSDQV-NXHRZFHOSA-N 2 2 371.485 0.640 10 0 FCAELP CC(=O)NCC(=O)N1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000628452805 492502198 /nfs/dbraw/zinc/50/21/98/492502198.db2.gz HFWZLSZJIPAOGO-UHFFFAOYSA-N 2 2 356.430 0.438 10 0 FCAELP CC(=O)NCC(=O)N1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000628452805 492502199 /nfs/dbraw/zinc/50/21/99/492502199.db2.gz HFWZLSZJIPAOGO-UHFFFAOYSA-N 2 2 356.430 0.438 10 0 FCAELP C[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656021824 492519845 /nfs/dbraw/zinc/51/98/45/492519845.db2.gz LIUMRNQTUAMAEA-AIANPOQGSA-N 2 2 362.474 0.417 10 0 FCAELP C[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656021824 492519846 /nfs/dbraw/zinc/51/98/46/492519846.db2.gz LIUMRNQTUAMAEA-AIANPOQGSA-N 2 2 362.474 0.417 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCCC1=CC[NH2+]CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656025164 492520502 /nfs/dbraw/zinc/52/05/02/492520502.db2.gz ARFYFWLWPVYQQM-SOUVJXGZSA-N 2 2 352.479 0.026 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCCC1=CC[NH2+]CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656025164 492520506 /nfs/dbraw/zinc/52/05/06/492520506.db2.gz ARFYFWLWPVYQQM-SOUVJXGZSA-N 2 2 352.479 0.026 10 0 FCAELP C[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656041299 492522140 /nfs/dbraw/zinc/52/21/40/492522140.db2.gz PIWMVUZEVDZVNW-DGXTUMSLSA-N 2 2 354.495 0.044 10 0 FCAELP C[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656041299 492522142 /nfs/dbraw/zinc/52/21/42/492522142.db2.gz PIWMVUZEVDZVNW-DGXTUMSLSA-N 2 2 354.495 0.044 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656067143 492529431 /nfs/dbraw/zinc/52/94/31/492529431.db2.gz IGABIMIBYFWJGF-NXOAAHMSSA-N 2 2 366.506 0.297 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656067143 492529436 /nfs/dbraw/zinc/52/94/36/492529436.db2.gz IGABIMIBYFWJGF-NXOAAHMSSA-N 2 2 366.506 0.297 10 0 FCAELP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656083931 492544435 /nfs/dbraw/zinc/54/44/35/492544435.db2.gz PKYSCQXKBHCHGE-WCXIOVBPSA-N 2 2 368.522 0.589 10 0 FCAELP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656083931 492544437 /nfs/dbraw/zinc/54/44/37/492544437.db2.gz PKYSCQXKBHCHGE-WCXIOVBPSA-N 2 2 368.522 0.589 10 0 FCAELP CCC(CC)[C@@H](CNC(=O)NC[C@@H]1COCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000623404574 492550995 /nfs/dbraw/zinc/55/09/95/492550995.db2.gz BEQBUKMLZZZZNK-IAGOWNOFSA-N 2 2 356.511 0.753 10 0 FCAELP CCC(CC)[C@@H](CNC(=O)NC[C@@H]1COCC[N@H+]1C)[NH+]1CCOCC1 ZINC000623404574 492551000 /nfs/dbraw/zinc/55/10/00/492551000.db2.gz BEQBUKMLZZZZNK-IAGOWNOFSA-N 2 2 356.511 0.753 10 0 FCAELP CCN(CCOC)c1cccc(CN2CCN(CC[NH+](C)C)C(=O)C2)[nH+]1 ZINC000649685131 492571129 /nfs/dbraw/zinc/57/11/29/492571129.db2.gz PPLGWTIXMYMSFZ-UHFFFAOYSA-N 2 2 363.506 0.760 10 0 FCAELP C[NH+](C)CCN1CC[N@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1=O ZINC000649685049 492571249 /nfs/dbraw/zinc/57/12/49/492571249.db2.gz MCIORINSUUJHLO-QGZVFWFLSA-N 2 2 358.486 0.855 10 0 FCAELP C[NH+](C)CCN1CC[N@@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1=O ZINC000649685049 492571253 /nfs/dbraw/zinc/57/12/53/492571253.db2.gz MCIORINSUUJHLO-QGZVFWFLSA-N 2 2 358.486 0.855 10 0 FCAELP C[NH+](C)CCN1CC[N@H+](CCC(=O)N2CCc3sccc3C2)CC1=O ZINC000649687845 492572377 /nfs/dbraw/zinc/57/23/77/492572377.db2.gz HVRZPBCCDMYGQG-UHFFFAOYSA-N 2 2 364.515 0.729 10 0 FCAELP C[NH+](C)CCN1CC[N@@H+](CCC(=O)N2CCc3sccc3C2)CC1=O ZINC000649687845 492572382 /nfs/dbraw/zinc/57/23/82/492572382.db2.gz HVRZPBCCDMYGQG-UHFFFAOYSA-N 2 2 364.515 0.729 10 0 FCAELP C[NH+](C)CCN1CC[N@H+](C[C@@H](O)COCc2ccccc2F)CC1=O ZINC000649688548 492572916 /nfs/dbraw/zinc/57/29/16/492572916.db2.gz GZDWXCMIVDXBHT-MRXNPFEDSA-N 2 2 353.438 0.409 10 0 FCAELP C[NH+](C)CCN1CC[N@@H+](C[C@@H](O)COCc2ccccc2F)CC1=O ZINC000649688548 492572920 /nfs/dbraw/zinc/57/29/20/492572920.db2.gz GZDWXCMIVDXBHT-MRXNPFEDSA-N 2 2 353.438 0.409 10 0 FCAELP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656298893 492575813 /nfs/dbraw/zinc/57/58/13/492575813.db2.gz UFLNGUSTEMISND-BARDWOONSA-N 2 2 351.451 0.002 10 0 FCAELP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656298893 492575817 /nfs/dbraw/zinc/57/58/17/492575817.db2.gz UFLNGUSTEMISND-BARDWOONSA-N 2 2 351.451 0.002 10 0 FCAELP C[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656297506 492575994 /nfs/dbraw/zinc/57/59/94/492575994.db2.gz DSDCNTMZFPQIMZ-LVQVYYBASA-N 2 2 366.506 0.201 10 0 FCAELP C[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656297506 492575997 /nfs/dbraw/zinc/57/59/97/492575997.db2.gz DSDCNTMZFPQIMZ-LVQVYYBASA-N 2 2 366.506 0.201 10 0 FCAELP C[C@H](CNC(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656297506 492576001 /nfs/dbraw/zinc/57/60/01/492576001.db2.gz DSDCNTMZFPQIMZ-LVQVYYBASA-N 2 2 366.506 0.201 10 0 FCAELP C[C@H](CNC(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656297506 492576005 /nfs/dbraw/zinc/57/60/05/492576005.db2.gz DSDCNTMZFPQIMZ-LVQVYYBASA-N 2 2 366.506 0.201 10 0 FCAELP COC[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000649741531 492577569 /nfs/dbraw/zinc/57/75/69/492577569.db2.gz UAHMMDDSBDRCDT-YTQUADARSA-N 2 2 361.486 0.973 10 0 FCAELP COC[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000649741531 492577571 /nfs/dbraw/zinc/57/75/71/492577571.db2.gz UAHMMDDSBDRCDT-YTQUADARSA-N 2 2 361.486 0.973 10 0 FCAELP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000656301617 492579022 /nfs/dbraw/zinc/57/90/22/492579022.db2.gz NHBDKARZLKDKJV-OTVXOJSOSA-N 2 2 364.515 0.679 10 0 FCAELP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000656301617 492579027 /nfs/dbraw/zinc/57/90/27/492579027.db2.gz NHBDKARZLKDKJV-OTVXOJSOSA-N 2 2 364.515 0.679 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCCCCn1cc[nH+]c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656303630 492580048 /nfs/dbraw/zinc/58/00/48/492580048.db2.gz VRUWVDVELFXAIX-HRCADAONSA-N 2 2 365.478 0.393 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCCCCn1cc[nH+]c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656303630 492580053 /nfs/dbraw/zinc/58/00/53/492580053.db2.gz VRUWVDVELFXAIX-HRCADAONSA-N 2 2 365.478 0.393 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCCC1CC[NH+](C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656306339 492581060 /nfs/dbraw/zinc/58/10/60/492581060.db2.gz ZBLGGQQWNMPRJW-HRCADAONSA-N 2 2 368.522 0.448 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCCC1CC[NH+](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656306339 492581063 /nfs/dbraw/zinc/58/10/63/492581063.db2.gz ZBLGGQQWNMPRJW-HRCADAONSA-N 2 2 368.522 0.448 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C1CC1 ZINC000656310529 492584988 /nfs/dbraw/zinc/58/49/88/492584988.db2.gz ZFAUVQBBLDFWQE-ZQDZILKHSA-N 2 2 354.495 0.199 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C1CC1 ZINC000656310529 492584993 /nfs/dbraw/zinc/58/49/93/492584993.db2.gz ZFAUVQBBLDFWQE-ZQDZILKHSA-N 2 2 354.495 0.199 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000656310529 492584996 /nfs/dbraw/zinc/58/49/96/492584996.db2.gz ZFAUVQBBLDFWQE-ZQDZILKHSA-N 2 2 354.495 0.199 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000656310529 492584999 /nfs/dbraw/zinc/58/49/99/492584999.db2.gz ZFAUVQBBLDFWQE-ZQDZILKHSA-N 2 2 354.495 0.199 10 0 FCAELP C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H]2C[NH+](Cc3ccncc3)CCO2)C1 ZINC000623721479 492586670 /nfs/dbraw/zinc/58/66/70/492586670.db2.gz ANTOYAVXDNJLSG-ROUUACIJSA-N 2 2 361.490 0.923 10 0 FCAELP C[N@H+]1CCC[C@@H](CNC(=O)NC[C@H]2C[NH+](Cc3ccncc3)CCO2)C1 ZINC000623721479 492586675 /nfs/dbraw/zinc/58/66/75/492586675.db2.gz ANTOYAVXDNJLSG-ROUUACIJSA-N 2 2 361.490 0.923 10 0 FCAELP C[NH+]1CCC[C@@H](CNC(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)C1 ZINC000623721479 492586680 /nfs/dbraw/zinc/58/66/80/492586680.db2.gz ANTOYAVXDNJLSG-ROUUACIJSA-N 2 2 361.490 0.923 10 0 FCAELP C[NH+]1CCC[C@@H](CNC(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)C1 ZINC000623721479 492586682 /nfs/dbraw/zinc/58/66/82/492586682.db2.gz ANTOYAVXDNJLSG-ROUUACIJSA-N 2 2 361.490 0.923 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656322843 492592784 /nfs/dbraw/zinc/59/27/84/492592784.db2.gz WSHUVDUPSWXNMT-JONQDZQNSA-N 2 2 370.538 0.693 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656322843 492592789 /nfs/dbraw/zinc/59/27/89/492592789.db2.gz WSHUVDUPSWXNMT-JONQDZQNSA-N 2 2 370.538 0.693 10 0 FCAELP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656342989 492604199 /nfs/dbraw/zinc/60/41/99/492604199.db2.gz IYHBJHTVKHRDDJ-NCOADZHNSA-N 2 2 368.522 0.448 10 0 FCAELP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656342989 492604202 /nfs/dbraw/zinc/60/42/02/492604202.db2.gz IYHBJHTVKHRDDJ-NCOADZHNSA-N 2 2 368.522 0.448 10 0 FCAELP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656342989 492604203 /nfs/dbraw/zinc/60/42/03/492604203.db2.gz IYHBJHTVKHRDDJ-NCOADZHNSA-N 2 2 368.522 0.448 10 0 FCAELP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656342989 492604206 /nfs/dbraw/zinc/60/42/06/492604206.db2.gz IYHBJHTVKHRDDJ-NCOADZHNSA-N 2 2 368.522 0.448 10 0 FCAELP C[N@H+](CC(=O)NC[C@@H]1C[NH+](Cc2ccncc2)CCO1)[C@H]1CCSC1 ZINC000629439442 492630661 /nfs/dbraw/zinc/63/06/61/492630661.db2.gz XBZOCEXLHPHLKY-DLBZAZTESA-N 2 2 364.515 0.836 10 0 FCAELP C[N@@H+](CC(=O)NC[C@@H]1C[NH+](Cc2ccncc2)CCO1)[C@H]1CCSC1 ZINC000629439442 492630663 /nfs/dbraw/zinc/63/06/63/492630663.db2.gz XBZOCEXLHPHLKY-DLBZAZTESA-N 2 2 364.515 0.836 10 0 FCAELP C[NH+](CC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)[C@H]1CCSC1 ZINC000629439442 492630669 /nfs/dbraw/zinc/63/06/69/492630669.db2.gz XBZOCEXLHPHLKY-DLBZAZTESA-N 2 2 364.515 0.836 10 0 FCAELP C[NH+](CC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)[C@H]1CCSC1 ZINC000629439442 492630671 /nfs/dbraw/zinc/63/06/71/492630671.db2.gz XBZOCEXLHPHLKY-DLBZAZTESA-N 2 2 364.515 0.836 10 0 FCAELP CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000629520560 492637332 /nfs/dbraw/zinc/63/73/32/492637332.db2.gz YJAVFVRTSHXYFL-ZDUSSCGKSA-N 2 2 364.412 0.684 10 0 FCAELP CCCN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000629520560 492637336 /nfs/dbraw/zinc/63/73/36/492637336.db2.gz YJAVFVRTSHXYFL-ZDUSSCGKSA-N 2 2 364.412 0.684 10 0 FCAELP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000629605553 492658502 /nfs/dbraw/zinc/65/85/02/492658502.db2.gz JUTWHMZMDFUTEG-ZFWWWQNUSA-N 2 2 365.430 0.084 10 0 FCAELP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000629605553 492658505 /nfs/dbraw/zinc/65/85/05/492658505.db2.gz JUTWHMZMDFUTEG-ZFWWWQNUSA-N 2 2 365.430 0.084 10 0 FCAELP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC[C@@H]1C(F)(F)F ZINC000629788503 492672691 /nfs/dbraw/zinc/67/26/91/492672691.db2.gz QSSJWRUPXMVJQR-YPMHNXCESA-N 2 2 362.396 0.279 10 0 FCAELP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000624730089 492675882 /nfs/dbraw/zinc/67/58/82/492675882.db2.gz HRJUPDNKBKBOQB-KRWDZBQOSA-N 2 2 354.495 0.461 10 0 FCAELP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000624730089 492675884 /nfs/dbraw/zinc/67/58/84/492675884.db2.gz HRJUPDNKBKBOQB-KRWDZBQOSA-N 2 2 354.495 0.461 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc2c(c1)OCO2 ZINC000657071523 492709150 /nfs/dbraw/zinc/70/91/50/492709150.db2.gz ORDSOFZWZRCHGP-ZDUSSCGKSA-N 2 2 357.476 0.966 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc2c(c1)OCO2 ZINC000657071523 492709152 /nfs/dbraw/zinc/70/91/52/492709152.db2.gz ORDSOFZWZRCHGP-ZDUSSCGKSA-N 2 2 357.476 0.966 10 0 FCAELP CCc1noc2ncc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)cc12 ZINC000657093089 492715481 /nfs/dbraw/zinc/71/54/81/492715481.db2.gz YDQWEWGKCOYHAF-UHFFFAOYSA-N 2 2 369.491 0.947 10 0 FCAELP CCc1noc2ncc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc12 ZINC000657093089 492715484 /nfs/dbraw/zinc/71/54/84/492715484.db2.gz YDQWEWGKCOYHAF-UHFFFAOYSA-N 2 2 369.491 0.947 10 0 FCAELP CN1CCc2ccc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)cc21 ZINC000657092073 492715527 /nfs/dbraw/zinc/71/55/27/492715527.db2.gz PMPMNTCIRWAKBK-UHFFFAOYSA-N 2 2 354.520 0.841 10 0 FCAELP CN1CCc2ccc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc21 ZINC000657092073 492715530 /nfs/dbraw/zinc/71/55/30/492715530.db2.gz PMPMNTCIRWAKBK-UHFFFAOYSA-N 2 2 354.520 0.841 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1cccc2nsnc21 ZINC000657092213 492715735 /nfs/dbraw/zinc/71/57/35/492715735.db2.gz IKBOJUGYNCFYFS-UHFFFAOYSA-N 2 2 357.505 0.853 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1cccc2nsnc21 ZINC000657092213 492715737 /nfs/dbraw/zinc/71/57/37/492715737.db2.gz IKBOJUGYNCFYFS-UHFFFAOYSA-N 2 2 357.505 0.853 10 0 FCAELP O=C1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CN1CC[NH+]1CCOCC1 ZINC000657366064 492750276 /nfs/dbraw/zinc/75/02/76/492750276.db2.gz BTEBPSJXNGJDAL-INIZCTEOSA-N 3 2 370.457 0.290 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(N4CCOCC4)CC3)CC2)CC1 ZINC000630863170 492779423 /nfs/dbraw/zinc/77/94/23/492779423.db2.gz RXZCGBOUJHFWBU-UHFFFAOYSA-N 2 2 350.507 0.526 10 0 FCAELP Cn1nccc1[C@H](CO)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631156777 492800613 /nfs/dbraw/zinc/80/06/13/492800613.db2.gz DEXJWXPYLHCJSA-SFHVURJKSA-N 2 2 360.458 0.954 10 0 FCAELP O[C@@H](COc1ccc2c(c1)OCO2)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625554495 492819137 /nfs/dbraw/zinc/81/91/37/492819137.db2.gz WZFNKJFAMXALTO-MRXNPFEDSA-N 2 2 364.442 0.952 10 0 FCAELP Cc1cn2ccc(NC(=O)C(=O)N3CCOC4(CC[NH+](C)CC4)C3)cc2[nH+]1 ZINC000658041537 492833161 /nfs/dbraw/zinc/83/31/61/492833161.db2.gz ZGUIPQUJLWZRGR-UHFFFAOYSA-N 2 2 371.441 0.904 10 0 FCAELP COC[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)C1CCOCC1 ZINC000658094874 492837461 /nfs/dbraw/zinc/83/74/61/492837461.db2.gz IPRUBDVLDLGKJV-LJQANCHMSA-N 2 2 355.523 0.814 10 0 FCAELP COC[C@@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)C1CCOCC1 ZINC000658094874 492837463 /nfs/dbraw/zinc/83/74/63/492837463.db2.gz IPRUBDVLDLGKJV-LJQANCHMSA-N 2 2 355.523 0.814 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc2c(n1)CCC2 ZINC000658339111 492862123 /nfs/dbraw/zinc/86/21/23/492862123.db2.gz OPEYVWRDACLPLQ-AWEZNQCLSA-N 2 2 361.490 0.897 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc2c(n1)CCC2 ZINC000658339111 492862125 /nfs/dbraw/zinc/86/21/25/492862125.db2.gz OPEYVWRDACLPLQ-AWEZNQCLSA-N 2 2 361.490 0.897 10 0 FCAELP Cn1ncc2c1nc[nH+]c2N1CCN(c2nc(N)[nH+]c3c2CCCC3)CC1 ZINC000645106449 492869376 /nfs/dbraw/zinc/86/93/76/492869376.db2.gz DGJDDQAJLFVFDO-UHFFFAOYSA-N 2 2 365.445 0.941 10 0 FCAELP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000645162427 492874771 /nfs/dbraw/zinc/87/47/71/492874771.db2.gz KTJXFBNQXJOLNU-HNNXBMFYSA-N 2 2 374.489 0.812 10 0 FCAELP Cn1cc[nH+]c1[C@@H](NS(=O)(=O)C[C@@H]1C[NH2+]CCO1)c1cccc(F)c1 ZINC000631911082 492876569 /nfs/dbraw/zinc/87/65/69/492876569.db2.gz VNWREJBAPUQFFA-GJZGRUSLSA-N 2 2 368.434 0.556 10 0 FCAELP Cn1cc[nH+]c1[C@H](NS(=O)(=O)C[C@@H]1C[NH2+]CCO1)c1ccc(F)cc1 ZINC000631910266 492876925 /nfs/dbraw/zinc/87/69/25/492876925.db2.gz BXNJJWPEXOASBW-LSDHHAIUSA-N 2 2 368.434 0.556 10 0 FCAELP CN(C1CC[NH2+]CC1)S(=O)(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000631912429 492878879 /nfs/dbraw/zinc/87/88/79/492878879.db2.gz LDSKPBLNZHGZDC-UHFFFAOYSA-N 2 2 353.492 0.569 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@@H](Nc4ncccn4)C3)C2)CC1 ZINC000645234115 492881490 /nfs/dbraw/zinc/88/14/90/492881490.db2.gz PBOQSMPMSKYKTA-CVEARBPZSA-N 2 2 373.505 0.841 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@@H](Nc4ncccn4)C3)C2)CC1 ZINC000645234115 492881492 /nfs/dbraw/zinc/88/14/92/492881492.db2.gz PBOQSMPMSKYKTA-CVEARBPZSA-N 2 2 373.505 0.841 10 0 FCAELP Cc1cccn2cc(CCNC(=O)N3CN(CC[NH+](C)C)C(=O)[C@@H]3C)[nH+]c12 ZINC000645252193 492883686 /nfs/dbraw/zinc/88/36/86/492883686.db2.gz GROWNNUIRCINAH-HNNXBMFYSA-N 2 2 372.473 0.947 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000658426766 492885530 /nfs/dbraw/zinc/88/55/30/492885530.db2.gz JJJRGIWVTYUQOH-UHFFFAOYSA-N 2 2 372.473 0.811 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000658426766 492885534 /nfs/dbraw/zinc/88/55/34/492885534.db2.gz JJJRGIWVTYUQOH-UHFFFAOYSA-N 2 2 372.473 0.811 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cnc2c(c1)CCCC2 ZINC000658429425 492886405 /nfs/dbraw/zinc/88/64/05/492886405.db2.gz WAWKTDSHZLDZSS-UHFFFAOYSA-N 2 2 361.490 0.899 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cnc2c(c1)CCCC2 ZINC000658429425 492886407 /nfs/dbraw/zinc/88/64/07/492886407.db2.gz WAWKTDSHZLDZSS-UHFFFAOYSA-N 2 2 361.490 0.899 10 0 FCAELP Cc1ncc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(C2CC2)n1 ZINC000658429470 492887435 /nfs/dbraw/zinc/88/74/35/492887435.db2.gz YPEWGJGMBWKCNN-UHFFFAOYSA-N 2 2 362.478 0.601 10 0 FCAELP Cc1ncc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(C2CC2)n1 ZINC000658429470 492887438 /nfs/dbraw/zinc/88/74/38/492887438.db2.gz YPEWGJGMBWKCNN-UHFFFAOYSA-N 2 2 362.478 0.601 10 0 FCAELP CCO[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H]1C[NH3+] ZINC000652152206 492888111 /nfs/dbraw/zinc/88/81/11/492888111.db2.gz GYCCYERRSBZPAE-HLLBOEOZSA-N 3 2 353.511 0.160 10 0 FCAELP CCO[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H]1C[NH3+] ZINC000652152206 492888114 /nfs/dbraw/zinc/88/81/14/492888114.db2.gz GYCCYERRSBZPAE-HLLBOEOZSA-N 3 2 353.511 0.160 10 0 FCAELP C[C@@H](CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)[NH+](C)Cc1ccccc1 ZINC000631939927 492893068 /nfs/dbraw/zinc/89/30/68/492893068.db2.gz LKGKHTSAUDDCBF-RDJZCZTQSA-N 2 2 355.504 0.757 10 0 FCAELP C[C@@H](CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)[NH+](C)Cc1ccccc1 ZINC000631939927 492893070 /nfs/dbraw/zinc/89/30/70/492893070.db2.gz LKGKHTSAUDDCBF-RDJZCZTQSA-N 2 2 355.504 0.757 10 0 FCAELP C[C@@H](CNS(=O)(=O)C[C@@H]1C[NH+](C)CCO1)[N@H+](C)Cc1ccccc1 ZINC000631939927 492893076 /nfs/dbraw/zinc/89/30/76/492893076.db2.gz LKGKHTSAUDDCBF-RDJZCZTQSA-N 2 2 355.504 0.757 10 0 FCAELP C[C@@H](CNS(=O)(=O)C[C@@H]1C[NH+](C)CCO1)[N@@H+](C)Cc1ccccc1 ZINC000631939927 492893077 /nfs/dbraw/zinc/89/30/77/492893077.db2.gz LKGKHTSAUDDCBF-RDJZCZTQSA-N 2 2 355.504 0.757 10 0 FCAELP CCO[C@@H]1C[N@H+](CC(=O)NCC(=O)Nc2ccccc2CC)C[C@H]1C[NH3+] ZINC000652357956 492915749 /nfs/dbraw/zinc/91/57/49/492915749.db2.gz RGSLSCTYFRVYPF-NVXWUHKLSA-N 2 2 362.474 0.599 10 0 FCAELP CCO[C@@H]1C[N@@H+](CC(=O)NCC(=O)Nc2ccccc2CC)C[C@H]1C[NH3+] ZINC000652357956 492915751 /nfs/dbraw/zinc/91/57/51/492915751.db2.gz RGSLSCTYFRVYPF-NVXWUHKLSA-N 2 2 362.474 0.599 10 0 FCAELP C[N@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626037091 492921763 /nfs/dbraw/zinc/92/17/63/492921763.db2.gz YOIVKJSZSVRUCC-IYBDPMFKSA-N 2 2 366.506 0.333 10 0 FCAELP C[N@@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626037091 492921765 /nfs/dbraw/zinc/92/17/65/492921765.db2.gz YOIVKJSZSVRUCC-IYBDPMFKSA-N 2 2 366.506 0.333 10 0 FCAELP CN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)C[C@H]1C[NH+](C)CCO1 ZINC000632104586 492930428 /nfs/dbraw/zinc/93/04/28/492930428.db2.gz JUFGBTRKJYOBNO-ZWKOTPCHSA-N 2 2 367.515 0.853 10 0 FCAELP CN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)C[C@H]1C[NH+](C)CCO1 ZINC000632104586 492930430 /nfs/dbraw/zinc/93/04/30/492930430.db2.gz JUFGBTRKJYOBNO-ZWKOTPCHSA-N 2 2 367.515 0.853 10 0 FCAELP CN([C@H]1CC[NH+](Cc2ccccc2)C1)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632104586 492930433 /nfs/dbraw/zinc/93/04/33/492930433.db2.gz JUFGBTRKJYOBNO-ZWKOTPCHSA-N 2 2 367.515 0.853 10 0 FCAELP CN([C@H]1CC[NH+](Cc2ccccc2)C1)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632104586 492930434 /nfs/dbraw/zinc/93/04/34/492930434.db2.gz JUFGBTRKJYOBNO-ZWKOTPCHSA-N 2 2 367.515 0.853 10 0 FCAELP CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000658538690 492936577 /nfs/dbraw/zinc/93/65/77/492936577.db2.gz MGSXANWCAJISJP-UHFFFAOYSA-N 2 2 360.458 0.477 10 0 FCAELP CC[C@H](C)[NH2+][C@H](CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)c1ccco1 ZINC000632328634 492974801 /nfs/dbraw/zinc/97/48/01/492974801.db2.gz FUTUNNCIXQOTMH-SOUVJXGZSA-N 2 2 359.492 0.959 10 0 FCAELP CC[C@H](C)[NH2+][C@H](CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)c1ccco1 ZINC000632328634 492974802 /nfs/dbraw/zinc/97/48/02/492974802.db2.gz FUTUNNCIXQOTMH-SOUVJXGZSA-N 2 2 359.492 0.959 10 0 FCAELP CCN1C(=O)CO[C@H](C(=O)N(C)CC[N@H+](C)C2CC2)[C@H]1c1[nH+]ccn1C ZINC000626491441 492984182 /nfs/dbraw/zinc/98/41/82/492984182.db2.gz NGPBYHXMDWOQBB-HOTGVXAUSA-N 2 2 363.462 0.261 10 0 FCAELP CCN1C(=O)CO[C@H](C(=O)N(C)CC[N@@H+](C)C2CC2)[C@H]1c1[nH+]ccn1C ZINC000626491441 492984184 /nfs/dbraw/zinc/98/41/84/492984184.db2.gz NGPBYHXMDWOQBB-HOTGVXAUSA-N 2 2 363.462 0.261 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)NC[C@@H]3CC[N@@H+]3C(C)(C)C)CC2)cc[nH+]1 ZINC000658644698 492989141 /nfs/dbraw/zinc/98/91/41/492989141.db2.gz NLEXMUNZHMLWEX-HNNXBMFYSA-N 2 2 374.489 0.423 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)NC[C@@H]3CC[N@H+]3C(C)(C)C)CC2)cc[nH+]1 ZINC000658644698 492989144 /nfs/dbraw/zinc/98/91/44/492989144.db2.gz NLEXMUNZHMLWEX-HNNXBMFYSA-N 2 2 374.489 0.423 10 0 FCAELP O=C(C[C@H]1CC[NH2+]C1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000645981722 492995801 /nfs/dbraw/zinc/99/58/01/492995801.db2.gz UBGGSWGGQHHSHG-CVEARBPZSA-N 2 2 374.489 0.398 10 0 FCAELP O=C(C[C@H]1CC[NH2+]C1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000645981722 492995806 /nfs/dbraw/zinc/99/58/06/492995806.db2.gz UBGGSWGGQHHSHG-CVEARBPZSA-N 2 2 374.489 0.398 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000652710497 492997673 /nfs/dbraw/zinc/99/76/73/492997673.db2.gz RKDYICNFBGBORO-MRXNPFEDSA-N 2 2 358.486 0.965 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000652710497 492997675 /nfs/dbraw/zinc/99/76/75/492997675.db2.gz RKDYICNFBGBORO-MRXNPFEDSA-N 2 2 358.486 0.965 10 0 FCAELP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000652721310 493002857 /nfs/dbraw/zinc/00/28/57/493002857.db2.gz YEDRWNHEJOBNNT-SFHVURJKSA-N 2 2 374.485 0.345 10 0 FCAELP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ccccc1C[NH+]1CCOCC1 ZINC000646119256 493016382 /nfs/dbraw/zinc/01/63/82/493016382.db2.gz IRDSZLHSARNZQU-GOSISDBHSA-N 2 2 358.486 0.639 10 0 FCAELP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1ccccc1C[NH+]1CCOCC1 ZINC000646119256 493016386 /nfs/dbraw/zinc/01/63/86/493016386.db2.gz IRDSZLHSARNZQU-GOSISDBHSA-N 2 2 358.486 0.639 10 0 FCAELP Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000646120180 493016813 /nfs/dbraw/zinc/01/68/13/493016813.db2.gz VEKYTVNMSMJQCX-QGZVFWFLSA-N 2 2 360.506 0.138 10 0 FCAELP Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000646120180 493016815 /nfs/dbraw/zinc/01/68/15/493016815.db2.gz VEKYTVNMSMJQCX-QGZVFWFLSA-N 2 2 360.506 0.138 10 0 FCAELP CCN(C(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1)[C@H]1CC[N@H+](C)C1 ZINC000658804361 493061929 /nfs/dbraw/zinc/06/19/29/493061929.db2.gz SKPHKTWOFCZGDJ-HNNXBMFYSA-N 2 2 354.495 0.108 10 0 FCAELP CCN(C(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000658804361 493061934 /nfs/dbraw/zinc/06/19/34/493061934.db2.gz SKPHKTWOFCZGDJ-HNNXBMFYSA-N 2 2 354.495 0.108 10 0 FCAELP [NH3+]CC1(NC(=O)NCc2ccccc2C[NH+]2CCOCC2)CCOCC1 ZINC000626923970 493063829 /nfs/dbraw/zinc/06/38/29/493063829.db2.gz BHVKJWAFKSMAQJ-UHFFFAOYSA-N 2 2 362.474 0.826 10 0 FCAELP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000632679694 493065005 /nfs/dbraw/zinc/06/50/05/493065005.db2.gz OIEMADHOAFAPAK-UHFFFAOYSA-N 2 2 363.462 0.472 10 0 FCAELP [NH3+]C1(CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CCOCC1 ZINC000626936299 493067771 /nfs/dbraw/zinc/06/77/71/493067771.db2.gz GWIJLGYLDMXGGS-KRWDZBQOSA-N 2 2 362.474 0.867 10 0 FCAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000626958663 493070390 /nfs/dbraw/zinc/07/03/90/493070390.db2.gz PFARSFZPWXBYNJ-JKSUJKDBSA-N 2 2 374.489 0.560 10 0 FCAELP CCN(C(=O)C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000658823680 493070745 /nfs/dbraw/zinc/07/07/45/493070745.db2.gz WPTHIZOEIRKOLZ-WCXIOVBPSA-N 2 2 368.522 0.543 10 0 FCAELP CCN(C(=O)C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[N@@H+](CC)C1 ZINC000658823680 493070748 /nfs/dbraw/zinc/07/07/48/493070748.db2.gz WPTHIZOEIRKOLZ-WCXIOVBPSA-N 2 2 368.522 0.543 10 0 FCAELP CCN(C(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH+](CC)C1 ZINC000658823680 493070750 /nfs/dbraw/zinc/07/07/50/493070750.db2.gz WPTHIZOEIRKOLZ-WCXIOVBPSA-N 2 2 368.522 0.543 10 0 FCAELP CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH+](CC)C1 ZINC000658823680 493070752 /nfs/dbraw/zinc/07/07/52/493070752.db2.gz WPTHIZOEIRKOLZ-WCXIOVBPSA-N 2 2 368.522 0.543 10 0 FCAELP CN(CCOCC[NH3+])C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000626989565 493075994 /nfs/dbraw/zinc/07/59/94/493075994.db2.gz ZYCHVSBBYHUVOY-UHFFFAOYSA-N 3 2 355.527 0.553 10 0 FCAELP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000653260688 493087041 /nfs/dbraw/zinc/08/70/41/493087041.db2.gz JPIXSKNZSQQKAJ-XHSDSOJGSA-N 2 2 354.495 0.330 10 0 FCAELP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000653260688 493087044 /nfs/dbraw/zinc/08/70/44/493087044.db2.gz JPIXSKNZSQQKAJ-XHSDSOJGSA-N 2 2 354.495 0.330 10 0 FCAELP Cc1cc(C)c(NC(=O)C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c(C)[nH+]1 ZINC000646818688 493103089 /nfs/dbraw/zinc/10/30/89/493103089.db2.gz BFQDYSIHCUAFNV-CQSZACIVSA-N 2 2 361.446 0.524 10 0 FCAELP Cc1cn2ccc(NC(=O)C(=O)N3CCC([N@@H+]4CC[C@H](O)C4)CC3)cc2[nH+]1 ZINC000658902566 493107129 /nfs/dbraw/zinc/10/71/29/493107129.db2.gz BVDRBXPGTMFGNY-INIZCTEOSA-N 2 2 371.441 0.639 10 0 FCAELP Cc1cn2ccc(NC(=O)C(=O)N3CCC([N@H+]4CC[C@H](O)C4)CC3)cc2[nH+]1 ZINC000658902566 493107134 /nfs/dbraw/zinc/10/71/34/493107134.db2.gz BVDRBXPGTMFGNY-INIZCTEOSA-N 2 2 371.441 0.639 10 0 FCAELP C[NH2+]C[C@H]1CCCN(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)C1 ZINC000627223467 493109445 /nfs/dbraw/zinc/10/94/45/493109445.db2.gz CRZKYQMEDCGJQL-MSOLQXFVSA-N 2 2 361.490 0.923 10 0 FCAELP C[NH2+]C[C@H]1CCCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)C1 ZINC000627223467 493109451 /nfs/dbraw/zinc/10/94/51/493109451.db2.gz CRZKYQMEDCGJQL-MSOLQXFVSA-N 2 2 361.490 0.923 10 0 FCAELP O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000627224153 493109929 /nfs/dbraw/zinc/10/99/29/493109929.db2.gz JKGRXYBBQPBRQW-MJGOQNOKSA-N 2 2 359.474 0.677 10 0 FCAELP O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000627224153 493109930 /nfs/dbraw/zinc/10/99/30/493109930.db2.gz JKGRXYBBQPBRQW-MJGOQNOKSA-N 2 2 359.474 0.677 10 0 FCAELP O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000627225280 493110970 /nfs/dbraw/zinc/11/09/70/493110970.db2.gz VQSZAEKULGEWTJ-KSZLIROESA-N 2 2 359.474 0.676 10 0 FCAELP O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000627225280 493110973 /nfs/dbraw/zinc/11/09/73/493110973.db2.gz VQSZAEKULGEWTJ-KSZLIROESA-N 2 2 359.474 0.676 10 0 FCAELP C[NH+](C)C[C@@H](CO)NC(=O)c1ccc(NCC[NH+]2CCOCC2)c(F)c1 ZINC000633072853 493114267 /nfs/dbraw/zinc/11/42/67/493114267.db2.gz RQGMSIKHDFYDIX-HNNXBMFYSA-N 2 2 368.453 0.222 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C[C@H]1C[NH3+] ZINC000633096668 493123125 /nfs/dbraw/zinc/12/31/25/493123125.db2.gz LTFSZIVMTITNLR-NVXWUHKLSA-N 2 2 361.490 0.955 10 0 FCAELP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000646937603 493128556 /nfs/dbraw/zinc/12/85/56/493128556.db2.gz OTTGMDUMIFTMKK-IRXDYDNUSA-N 2 2 371.485 0.673 10 0 FCAELP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000646937603 493128560 /nfs/dbraw/zinc/12/85/60/493128560.db2.gz OTTGMDUMIFTMKK-IRXDYDNUSA-N 2 2 371.485 0.673 10 0 FCAELP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)N3C[C@@H]([NH3+])C[C@@H]3C)CC2)s1 ZINC000633116329 493132539 /nfs/dbraw/zinc/13/25/39/493132539.db2.gz RUAAXKTVODPTTK-KBPBESRZSA-N 2 2 364.515 0.903 10 0 FCAELP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000659079185 493142919 /nfs/dbraw/zinc/14/29/19/493142919.db2.gz LRFIAFFYKDKOAA-QGZVFWFLSA-N 2 2 358.442 0.593 10 0 FCAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)cc1 ZINC000627314349 493147825 /nfs/dbraw/zinc/14/78/25/493147825.db2.gz ADGLJHGNURXECL-CZUORRHYSA-N 2 2 371.441 0.463 10 0 FCAELP C[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)C[NH2+]1 ZINC000627317728 493149281 /nfs/dbraw/zinc/14/92/81/493149281.db2.gz WIUXVIAJAALWSB-BMFZPTHFSA-N 2 2 355.442 0.882 10 0 FCAELP C[NH2+]CCOCCNC(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000627324333 493152974 /nfs/dbraw/zinc/15/29/74/493152974.db2.gz XHJYKSVGERLLQI-UHFFFAOYSA-N 2 2 363.462 0.040 10 0 FCAELP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCC34CC(C3)C[NH2+]4)c2)CC1 ZINC000659105510 493155150 /nfs/dbraw/zinc/15/51/50/493155150.db2.gz NVJCHESEOSIZPT-UHFFFAOYSA-N 2 2 371.485 0.241 10 0 FCAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000627328139 493155683 /nfs/dbraw/zinc/15/56/83/493155683.db2.gz RYTFBIQGUUZZFJ-DOTOQJQBSA-N 2 2 369.469 0.999 10 0 FCAELP CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)c[nH+]1 ZINC000627338655 493161508 /nfs/dbraw/zinc/16/15/08/493161508.db2.gz MIWZCMRKDLPTMN-OAHLLOKOSA-N 2 2 359.474 0.945 10 0 FCAELP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)CO1 ZINC000647206143 493178182 /nfs/dbraw/zinc/17/81/82/493178182.db2.gz JBYITCWTIODCHH-PMPSAXMXSA-N 2 2 361.490 0.600 10 0 FCAELP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)NCC12CC(C1)C[NH2+]2 ZINC000659443702 493180540 /nfs/dbraw/zinc/18/05/40/493180540.db2.gz CBXOOVCVYRVOGD-UHFFFAOYSA-N 2 2 374.485 0.949 10 0 FCAELP O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000627378341 493187913 /nfs/dbraw/zinc/18/79/13/493187913.db2.gz JYGWNZUGMDFMLY-HNNXBMFYSA-N 2 2 357.458 0.567 10 0 FCAELP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)NCCc1cn3c([nH+]1)CCCC3)C2 ZINC000627378848 493188016 /nfs/dbraw/zinc/18/80/16/493188016.db2.gz WKTNWIACDUVPNQ-KDURUIRLSA-N 2 2 359.474 0.336 10 0 FCAELP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000627381854 493190754 /nfs/dbraw/zinc/19/07/54/493190754.db2.gz CYXGICLSAWQHRX-AHRSYUTCSA-N 2 2 356.470 0.747 10 0 FCAELP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000627381854 493190761 /nfs/dbraw/zinc/19/07/61/493190761.db2.gz CYXGICLSAWQHRX-AHRSYUTCSA-N 2 2 356.470 0.747 10 0 FCAELP Cc1ccncc1CN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641352 493223544 /nfs/dbraw/zinc/22/35/44/493223544.db2.gz PNLWTMDNPXLVEL-KRWDZBQOSA-N 2 2 373.501 0.633 10 0 FCAELP Cc1ccncc1CN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641352 493223546 /nfs/dbraw/zinc/22/35/46/493223546.db2.gz PNLWTMDNPXLVEL-KRWDZBQOSA-N 2 2 373.501 0.633 10 0 FCAELP CC(C)C[C@@H](CO)N(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641641 493226096 /nfs/dbraw/zinc/22/60/96/493226096.db2.gz VIVMTILLGSIHAH-RDJZCZTQSA-N 2 2 368.522 0.137 10 0 FCAELP CC(C)C[C@@H](CO)N(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641641 493226098 /nfs/dbraw/zinc/22/60/98/493226098.db2.gz VIVMTILLGSIHAH-RDJZCZTQSA-N 2 2 368.522 0.137 10 0 FCAELP Cc1cccn2cc(CCNC(=O)C(=O)N(C)[C@@H]3CC[N@@H+](C4CC4)C3)[nH+]c12 ZINC000672761625 493245173 /nfs/dbraw/zinc/24/51/73/493245173.db2.gz GBQWULMDMDPPHU-QGZVFWFLSA-N 2 2 369.469 0.997 10 0 FCAELP Cc1cccn2cc(CCNC(=O)C(=O)N(C)[C@@H]3CC[N@H+](C4CC4)C3)[nH+]c12 ZINC000672761625 493245176 /nfs/dbraw/zinc/24/51/76/493245176.db2.gz GBQWULMDMDPPHU-QGZVFWFLSA-N 2 2 369.469 0.997 10 0 FCAELP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccccc1Cl ZINC000659675887 493245157 /nfs/dbraw/zinc/24/51/57/493245157.db2.gz ZUALXBRKVKBTFP-KFWWJZLASA-N 2 2 370.856 0.957 10 0 FCAELP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N1CC2CC1(C[NH3+])C2)c1ccc(F)cc1 ZINC000659682760 493250414 /nfs/dbraw/zinc/25/04/14/493250414.db2.gz HYMJMFBAGLWIPJ-WXYZLBAPSA-N 2 2 371.416 0.715 10 0 FCAELP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N1CC2CC1(C[NH3+])C2)c1ccccc1 ZINC000659683506 493251200 /nfs/dbraw/zinc/25/12/00/493251200.db2.gz SUOZZUIKZAORTR-SHBDPFAUSA-N 2 2 353.426 0.575 10 0 FCAELP [NH3+][C@@H]1CN(C(=O)C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC[C@H]1F ZINC000659684378 493252110 /nfs/dbraw/zinc/25/21/10/493252110.db2.gz HWRUGABQDXZAFG-VXGBXAGGSA-N 2 2 353.785 0.502 10 0 FCAELP CC1CCN(c2ccc(CNC(=O)C(=O)N3CC4CC3(C[NH3+])C4)c[nH+]2)CC1 ZINC000659689606 493255441 /nfs/dbraw/zinc/25/54/41/493255441.db2.gz FUWKSVBEZIVMMM-UHFFFAOYSA-N 2 2 371.485 0.884 10 0 FCAELP C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N(C)CCC[NH3+])c[nH+]2)C[C@H](C)O1 ZINC000659691362 493256301 /nfs/dbraw/zinc/25/63/01/493256301.db2.gz HNOCQMRTVOMUOS-OKILXGFUSA-N 2 2 363.462 0.119 10 0 FCAELP O=C(NCC[N@@H+]1CCCOCC1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000682099570 493270075 /nfs/dbraw/zinc/27/00/75/493270075.db2.gz LFUOEKXVPUNEEU-UHFFFAOYSA-N 2 2 358.402 0.044 10 0 FCAELP O=C(NCC[N@H+]1CCCOCC1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000682099570 493270078 /nfs/dbraw/zinc/27/00/78/493270078.db2.gz LFUOEKXVPUNEEU-UHFFFAOYSA-N 2 2 358.402 0.044 10 0 FCAELP O=C(C[NH+]1CCN(c2cc[nH+]c3c(O)cccc23)CC1)N1CCOCC1 ZINC000682237626 493281257 /nfs/dbraw/zinc/28/12/57/493281257.db2.gz JYYOAXLJWDTMQS-UHFFFAOYSA-N 2 2 356.426 0.921 10 0 FCAELP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000659743829 493282654 /nfs/dbraw/zinc/28/26/54/493282654.db2.gz BKDVWXZMLUBIOS-HZPDHXFCSA-N 2 2 354.495 0.189 10 0 FCAELP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659744194 493282700 /nfs/dbraw/zinc/28/27/00/493282700.db2.gz RGZVMIQEQWFMJQ-UHFFFAOYSA-N 2 2 356.470 0.507 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccnc4c3CC(=O)N4)CC2)CC1 ZINC000667641864 493294826 /nfs/dbraw/zinc/29/48/26/493294826.db2.gz GHQXKLDCXBTGLE-UHFFFAOYSA-N 2 2 357.458 0.865 10 0 FCAELP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000673454726 493330466 /nfs/dbraw/zinc/33/04/66/493330466.db2.gz KCIOLFLMGWXPLL-RANZSIQMSA-N 2 2 374.485 0.383 10 0 FCAELP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000673454726 493330468 /nfs/dbraw/zinc/33/04/68/493330468.db2.gz KCIOLFLMGWXPLL-RANZSIQMSA-N 2 2 374.485 0.383 10 0 FCAELP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000673454726 493330469 /nfs/dbraw/zinc/33/04/69/493330469.db2.gz KCIOLFLMGWXPLL-RANZSIQMSA-N 2 2 374.485 0.383 10 0 FCAELP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000673454726 493330470 /nfs/dbraw/zinc/33/04/70/493330470.db2.gz KCIOLFLMGWXPLL-RANZSIQMSA-N 2 2 374.485 0.383 10 0 FCAELP C[NH+]1CCN(CCCCNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000668510993 493367793 /nfs/dbraw/zinc/36/77/93/493367793.db2.gz DINARJFLUJUAIQ-MRXNPFEDSA-N 2 2 367.538 0.119 10 0 FCAELP C[NH+]1CCN(CCCCNC(=O)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000668510993 493367795 /nfs/dbraw/zinc/36/77/95/493367795.db2.gz DINARJFLUJUAIQ-MRXNPFEDSA-N 2 2 367.538 0.119 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC3CCC(C(N)=O)CC3)C2)CC1 ZINC000673878809 493371185 /nfs/dbraw/zinc/37/11/85/493371185.db2.gz PKPKIBSONYMQKM-YMAMQOFZSA-N 2 2 351.495 0.498 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC3CCC(C(N)=O)CC3)C2)CC1 ZINC000673878809 493371187 /nfs/dbraw/zinc/37/11/87/493371187.db2.gz PKPKIBSONYMQKM-YMAMQOFZSA-N 2 2 351.495 0.498 10 0 FCAELP COCCN(C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCOC1 ZINC000683836127 493373107 /nfs/dbraw/zinc/37/31/07/493373107.db2.gz YHAUIVLYWXJPOV-NVXWUHKLSA-N 2 2 354.495 0.602 10 0 FCAELP COCCN(C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCOC1 ZINC000683836127 493373109 /nfs/dbraw/zinc/37/31/09/493373109.db2.gz YHAUIVLYWXJPOV-NVXWUHKLSA-N 2 2 354.495 0.602 10 0 FCAELP CCN(C(=O)C(=O)NCc1[nH+]ccn1CC(F)(F)F)[C@@H]1CC[N@H+](C)C1 ZINC000668806726 493413989 /nfs/dbraw/zinc/41/39/89/493413989.db2.gz PTBJHZLEJVPQBS-LLVKDONJSA-N 2 2 361.368 0.614 10 0 FCAELP 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CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000670409325 493563079 /nfs/dbraw/zinc/56/30/79/493563079.db2.gz KCXPXNJLTRBFLU-XDNAFOTISA-N 2 2 352.523 0.626 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000663561435 493598604 /nfs/dbraw/zinc/59/86/04/493598604.db2.gz IYBGDTDQNRQXQG-UHFFFAOYSA-N 2 2 353.511 0.570 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000663561435 493598607 /nfs/dbraw/zinc/59/86/07/493598607.db2.gz IYBGDTDQNRQXQG-UHFFFAOYSA-N 2 2 353.511 0.570 10 0 FCAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CC(=O)N2CCOC[C@H]2C2CC2)CC1 ZINC000677985153 493629613 /nfs/dbraw/zinc/62/96/13/493629613.db2.gz ZOXUFLBFGCFNFW-MOPGFXCFSA-N 2 2 364.534 0.726 10 0 FCAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CC(=O)N2CCOC[C@H]2C2CC2)CC1 ZINC000677985153 493629614 /nfs/dbraw/zinc/62/96/14/493629614.db2.gz ZOXUFLBFGCFNFW-MOPGFXCFSA-N 2 2 364.534 0.726 10 0 FCAELP COCC[N@@H+]1CCC[C@H]1CNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000664065932 493634075 /nfs/dbraw/zinc/63/40/75/493634075.db2.gz PMZUPRVCOCTIEC-SFHVURJKSA-N 2 2 368.522 0.851 10 0 FCAELP COCC[N@H+]1CCC[C@H]1CNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000664065932 493634077 /nfs/dbraw/zinc/63/40/77/493634077.db2.gz PMZUPRVCOCTIEC-SFHVURJKSA-N 2 2 368.522 0.851 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000664129892 493638328 /nfs/dbraw/zinc/63/83/28/493638328.db2.gz KKBNUSDPLYVQGW-KRWDZBQOSA-N 4 2 368.570 0.338 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000664129892 493638329 /nfs/dbraw/zinc/63/83/29/493638329.db2.gz KKBNUSDPLYVQGW-KRWDZBQOSA-N 4 2 368.570 0.338 10 0 FCAELP C[NH+](C)CCC[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000664129892 493638331 /nfs/dbraw/zinc/63/83/31/493638331.db2.gz KKBNUSDPLYVQGW-KRWDZBQOSA-N 4 2 368.570 0.338 10 0 FCAELP C[NH+](C)CCC[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000664129892 493638333 /nfs/dbraw/zinc/63/83/33/493638333.db2.gz KKBNUSDPLYVQGW-KRWDZBQOSA-N 4 2 368.570 0.338 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(N2CCOCC2)cn1 ZINC000664330230 493653275 /nfs/dbraw/zinc/65/32/75/493653275.db2.gz HQSOQMIYFTZZHJ-UHFFFAOYSA-N 2 2 364.494 0.923 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(N2CCOCC2)cn1 ZINC000664330230 493653276 /nfs/dbraw/zinc/65/32/76/493653276.db2.gz HQSOQMIYFTZZHJ-UHFFFAOYSA-N 2 2 364.494 0.923 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000664331417 493653446 /nfs/dbraw/zinc/65/34/46/493653446.db2.gz QKFMDSFOUSIUMS-UHFFFAOYSA-N 2 2 357.480 0.339 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000664331417 493653448 /nfs/dbraw/zinc/65/34/48/493653448.db2.gz QKFMDSFOUSIUMS-UHFFFAOYSA-N 2 2 357.480 0.339 10 0 FCAELP CN(CC1C[NH+](C)C1)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000664335406 493654207 /nfs/dbraw/zinc/65/42/07/493654207.db2.gz YMBHJBBEVGQKOQ-UHFFFAOYSA-N 2 2 353.492 0.016 10 0 FCAELP 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/nfs/dbraw/zinc/66/57/05/493665705.db2.gz KAXVHFCUJDOGRY-LJQANCHMSA-N 2 2 356.426 0.278 10 0 FCAELP C[NH+](C)CCC[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000664539826 493666582 /nfs/dbraw/zinc/66/65/82/493666582.db2.gz ROOYCTSTMHUYPM-GOSISDBHSA-N 3 2 369.554 0.765 10 0 FCAELP CO[C@@H]1CCC[C@H]([C@H](CO)NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000664537866 493666768 /nfs/dbraw/zinc/66/67/68/493666768.db2.gz RSRSFTNTPBBNLK-JQHSSLGASA-N 2 2 370.538 0.878 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000664759604 493681545 /nfs/dbraw/zinc/68/15/45/493681545.db2.gz LMSXAGKRVZOYCB-INIZCTEOSA-N 3 2 355.527 0.422 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccccc1S(N)(=O)=O ZINC000664905188 493689589 /nfs/dbraw/zinc/68/95/89/493689589.db2.gz BELDYXZOOHVPKR-UHFFFAOYSA-N 2 2 371.507 0.017 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccccc1S(N)(=O)=O ZINC000664905188 493689590 /nfs/dbraw/zinc/68/95/90/493689590.db2.gz BELDYXZOOHVPKR-UHFFFAOYSA-N 2 2 371.507 0.017 10 0 FCAELP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C3([NH+]4CCOCC4)CCC3)CC2)C1 ZINC000679888663 493699192 /nfs/dbraw/zinc/69/91/92/493699192.db2.gz XUFVLQYXPNIAEP-KRWDZBQOSA-N 2 2 350.507 0.480 10 0 FCAELP C[N@H+]1CCC[C@H](N2CCN(C(=O)C3([NH+]4CCOCC4)CCC3)CC2)C1 ZINC000679888663 493699193 /nfs/dbraw/zinc/69/91/93/493699193.db2.gz XUFVLQYXPNIAEP-KRWDZBQOSA-N 2 2 350.507 0.480 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ncc2c(n1)CCOC2 ZINC000665218992 493705232 /nfs/dbraw/zinc/70/52/32/493705232.db2.gz HHRXCDPNAVADIN-UHFFFAOYSA-N 2 2 350.467 0.232 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ncc2c(n1)CCOC2 ZINC000665218992 493705234 /nfs/dbraw/zinc/70/52/34/493705234.db2.gz HHRXCDPNAVADIN-UHFFFAOYSA-N 2 2 350.467 0.232 10 0 FCAELP CO[C@H](CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000665483487 493718419 /nfs/dbraw/zinc/71/84/19/493718419.db2.gz YCTDZSNQLBKYID-NVXWUHKLSA-N 2 2 356.511 0.705 10 0 FCAELP CO[C@H](CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000665483487 493718421 /nfs/dbraw/zinc/71/84/21/493718421.db2.gz YCTDZSNQLBKYID-NVXWUHKLSA-N 2 2 356.511 0.705 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC[NH+]1C[C@@H](C)OC[C@H]1C ZINC000665763477 493735990 /nfs/dbraw/zinc/73/59/90/493735990.db2.gz BUEJJGGTEZMTIJ-GVDBMIGSSA-N 3 2 357.543 0.667 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC[NH+]1C[C@@H](C)OC[C@H]1C ZINC000665763477 493735992 /nfs/dbraw/zinc/73/59/92/493735992.db2.gz BUEJJGGTEZMTIJ-GVDBMIGSSA-N 3 2 357.543 0.667 10 0 FCAELP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000665763477 493735995 /nfs/dbraw/zinc/73/59/95/493735995.db2.gz BUEJJGGTEZMTIJ-GVDBMIGSSA-N 3 2 357.543 0.667 10 0 FCAELP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000665763477 493735996 /nfs/dbraw/zinc/73/59/96/493735996.db2.gz BUEJJGGTEZMTIJ-GVDBMIGSSA-N 3 2 357.543 0.667 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCCN1C[C@@H](C)OC[C@H]1C ZINC000665763477 493735998 /nfs/dbraw/zinc/73/59/98/493735998.db2.gz BUEJJGGTEZMTIJ-GVDBMIGSSA-N 2 2 357.543 0.667 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCCN1C[C@@H](C)OC[C@H]1C ZINC000665763477 493736000 /nfs/dbraw/zinc/73/60/00/493736000.db2.gz BUEJJGGTEZMTIJ-GVDBMIGSSA-N 2 2 357.543 0.667 10 0 FCAELP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000672165466 493739361 /nfs/dbraw/zinc/73/93/61/493739361.db2.gz HAKANMFMFDDXLM-JKSUJKDBSA-N 2 2 363.462 0.274 10 0 FCAELP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000672165466 493739363 /nfs/dbraw/zinc/73/93/63/493739363.db2.gz HAKANMFMFDDXLM-JKSUJKDBSA-N 2 2 363.462 0.274 10 0 FCAELP COc1ncc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1C(N)=O ZINC000666344887 493773989 /nfs/dbraw/zinc/77/39/89/493773989.db2.gz JWCLULDAQTZDKB-UHFFFAOYSA-N 2 2 352.439 0.194 10 0 FCAELP COc1ncc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1C(N)=O ZINC000666344887 493773996 /nfs/dbraw/zinc/77/39/96/493773996.db2.gz JWCLULDAQTZDKB-UHFFFAOYSA-N 2 2 352.439 0.194 10 0 FCAELP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935975179 674336363 /nfs/dbraw/zinc/33/63/63/674336363.db2.gz FZTNOYUJNQIGDG-BDXSIMOUSA-N 2 2 351.491 0.951 10 0 FCAELP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nnnn2CC(F)(F)F)CC1 ZINC000190866881 534076464 /nfs/dbraw/zinc/07/64/64/534076464.db2.gz FXEUVIIGWCZREM-NSHDSACASA-N 2 2 350.389 0.760 10 0 FCAELP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2nnnn2CC(F)(F)F)CC1 ZINC000190866881 534076469 /nfs/dbraw/zinc/07/64/69/534076469.db2.gz FXEUVIIGWCZREM-NSHDSACASA-N 2 2 350.389 0.760 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000410734845 528728130 /nfs/dbraw/zinc/72/81/30/528728130.db2.gz VPYFDEOOSRTVHR-JKSUJKDBSA-N 2 2 354.495 0.108 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000410734845 528728134 /nfs/dbraw/zinc/72/81/34/528728134.db2.gz VPYFDEOOSRTVHR-JKSUJKDBSA-N 2 2 354.495 0.108 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000410734842 528730914 /nfs/dbraw/zinc/73/09/14/528730914.db2.gz VPYFDEOOSRTVHR-CVEARBPZSA-N 2 2 354.495 0.108 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000410734842 528730919 /nfs/dbraw/zinc/73/09/19/528730919.db2.gz VPYFDEOOSRTVHR-CVEARBPZSA-N 2 2 354.495 0.108 10 0 FCAELP COC[C@](C)(CCO)[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000438499767 536630474 /nfs/dbraw/zinc/63/04/74/536630474.db2.gz GTMNITRYSSOXNB-KRWDZBQOSA-N 2 2 355.504 0.769 10 0 FCAELP C[NH+](C)CCn1cc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cn1 ZINC000089224320 546516376 /nfs/dbraw/zinc/51/63/76/546516376.db2.gz ADMMBBRJTHSOHU-MRXNPFEDSA-N 2 2 350.467 0.773 10 0 FCAELP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)[C@@H](C)C1 ZINC000550692666 547098388 /nfs/dbraw/zinc/09/83/88/547098388.db2.gz ZGUZUFQIIQRIDC-XHSDSOJGSA-N 2 2 354.495 0.012 10 0 FCAELP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)[C@@H](C)C1 ZINC000550692666 547098394 /nfs/dbraw/zinc/09/83/94/547098394.db2.gz ZGUZUFQIIQRIDC-XHSDSOJGSA-N 2 2 354.495 0.012 10 0 FCAELP CCOCCNC(=O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000550804364 547108076 /nfs/dbraw/zinc/10/80/76/547108076.db2.gz DPYFIYKVXFADIQ-UHFFFAOYSA-N 2 2 354.495 0.206 10 0 FCAELP CC[NH+]1CCC(CCNC(=O)C(=O)N2CC[NH+](CCOC)CC2)CC1 ZINC000553899813 547315093 /nfs/dbraw/zinc/31/50/93/547315093.db2.gz ADWGLLQRDQEHDB-UHFFFAOYSA-N 2 2 354.495 0.015 10 0 FCAELP O=C(N1CCC(CO)([NH2+]CC2CC2)CC1)C1([NH+]2CCOCC2)CCC1 ZINC000898113795 665801401 /nfs/dbraw/zinc/80/14/01/665801401.db2.gz BPBZEAFVVXKIPK-UHFFFAOYSA-N 2 2 351.491 0.594 10 0 FCAELP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925154285 665172835 /nfs/dbraw/zinc/17/28/35/665172835.db2.gz BFGOJJPPNSIHLU-ZACQAIPSSA-N 2 2 369.579 0.891 10 0 FCAELP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000925154285 665172837 /nfs/dbraw/zinc/17/28/37/665172837.db2.gz BFGOJJPPNSIHLU-ZACQAIPSSA-N 2 2 369.579 0.891 10 0 FCAELP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925154285 665172840 /nfs/dbraw/zinc/17/28/40/665172840.db2.gz BFGOJJPPNSIHLU-ZACQAIPSSA-N 2 2 369.579 0.891 10 0 FCAELP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000925154285 665172842 /nfs/dbraw/zinc/17/28/42/665172842.db2.gz BFGOJJPPNSIHLU-ZACQAIPSSA-N 2 2 369.579 0.891 10 0 FCAELP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)C1 ZINC000907795889 666163727 /nfs/dbraw/zinc/16/37/27/666163727.db2.gz ZXCUFZLFDOLQIR-BZUAXINKSA-N 2 2 355.454 0.906 10 0 FCAELP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)C1 ZINC000907795889 666163728 /nfs/dbraw/zinc/16/37/28/666163728.db2.gz ZXCUFZLFDOLQIR-BZUAXINKSA-N 2 2 355.454 0.906 10 0 FCAELP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@@H]2CCCC[NH+]2CCO)C1 ZINC000908541802 666211710 /nfs/dbraw/zinc/21/17/10/666211710.db2.gz QZDUXWWVHDFCTL-CVEARBPZSA-N 2 2 355.479 0.225 10 0 FCAELP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H]2CCCC[NH+]2CCO)C1 ZINC000908541802 666211713 /nfs/dbraw/zinc/21/17/13/666211713.db2.gz QZDUXWWVHDFCTL-CVEARBPZSA-N 2 2 355.479 0.225 10 0 FCAELP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000908541802 666211715 /nfs/dbraw/zinc/21/17/15/666211715.db2.gz QZDUXWWVHDFCTL-CVEARBPZSA-N 2 2 355.479 0.225 10 0 FCAELP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000908541802 666211718 /nfs/dbraw/zinc/21/17/18/666211718.db2.gz QZDUXWWVHDFCTL-CVEARBPZSA-N 2 2 355.479 0.225 10 0 FCAELP C[C@@H]1CN(C(=O)C2CCC([NH+]3CCOCC3)CC2)[C@@H](C)C[N@@H+]1CCO ZINC000910928696 666297321 /nfs/dbraw/zinc/29/73/21/666297321.db2.gz RAAADSFXMDKLEC-VEZWFGLTSA-N 2 2 353.507 0.791 10 0 FCAELP C[C@@H]1CN(C(=O)C2CCC([NH+]3CCOCC3)CC2)[C@@H](C)C[N@H+]1CCO ZINC000910928696 666297322 /nfs/dbraw/zinc/29/73/22/666297322.db2.gz RAAADSFXMDKLEC-VEZWFGLTSA-N 2 2 353.507 0.791 10 0 FCAELP CC[NH+](CC)[C@@H](C)CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000069401721 666508642 /nfs/dbraw/zinc/50/86/42/666508642.db2.gz VNZDPWRDLCIHKI-AWEZNQCLSA-N 2 2 362.540 0.525 10 0 FCAELP CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000069411708 666508682 /nfs/dbraw/zinc/50/86/82/666508682.db2.gz FLTWBTPOKCCVGP-OAHLLOKOSA-N 2 2 360.524 0.279 10 0 FCAELP CC[N@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000069411708 666508683 /nfs/dbraw/zinc/50/86/83/666508683.db2.gz FLTWBTPOKCCVGP-OAHLLOKOSA-N 2 2 360.524 0.279 10 0 FCAELP O=C(NC12CC[NH+](CC1)C2)c1ccc(C(=O)NC23CC[NH+](CC2)C3)s1 ZINC000913634558 666637917 /nfs/dbraw/zinc/63/79/17/666637917.db2.gz UQTIYUBNKNAFEW-UHFFFAOYSA-N 2 2 360.483 0.904 10 0 FCAELP C[C@@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)CC1 ZINC000917103252 667057174 /nfs/dbraw/zinc/05/71/74/667057174.db2.gz OBKOLCMAEOOBND-AEFFLSMTSA-N 2 2 371.547 0.987 10 0 FCAELP C[C@@H]1COCC[N@H+]1C1CCN(S(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)CC1 ZINC000917103252 667057178 /nfs/dbraw/zinc/05/71/78/667057178.db2.gz OBKOLCMAEOOBND-AEFFLSMTSA-N 2 2 371.547 0.987 10 0 FCAELP C[C@@H]1COCC[NH+]1C1CCN(S(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC000917103252 667057184 /nfs/dbraw/zinc/05/71/84/667057184.db2.gz OBKOLCMAEOOBND-AEFFLSMTSA-N 2 2 371.547 0.987 10 0 FCAELP O=C1C[C@H]([NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)CN1CC[NH+]1CCOCC1 ZINC000925450905 667116593 /nfs/dbraw/zinc/11/65/93/667116593.db2.gz RUKMHLXWWWXFHD-AOIWGVFYSA-N 2 2 351.491 0.714 10 0 FCAELP CCO[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C[NH+](C)C ZINC000918906413 667140242 /nfs/dbraw/zinc/14/02/42/667140242.db2.gz OBZKDYWOCYSDPW-WBVHZDCISA-N 3 2 355.527 0.421 10 0 FCAELP CCO[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C[NH+](C)C ZINC000918906413 667140245 /nfs/dbraw/zinc/14/02/45/667140245.db2.gz OBZKDYWOCYSDPW-WBVHZDCISA-N 3 2 355.527 0.421 10 0 FCAELP O=C1C[C@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CN1CC[NH+]1CCOCC1 ZINC000921759346 667476237 /nfs/dbraw/zinc/47/62/37/667476237.db2.gz RJOGLYGTJZMCDW-MLHJIOFPSA-N 2 2 351.491 0.714 10 0 FCAELP CN1CC[N@H+](C)CC(C(=O)N2CC[NH+](CCCOC(C)(C)C)CC2)C1 ZINC000921863615 667523779 /nfs/dbraw/zinc/52/37/79/667523779.db2.gz XSRRNVIUFCFFLN-UHFFFAOYSA-N 2 2 354.539 0.829 10 0 FCAELP CN1CC[N@@H+](C)CC(C(=O)N2CC[NH+](CCCOC(C)(C)C)CC2)C1 ZINC000921863615 667523782 /nfs/dbraw/zinc/52/37/82/667523782.db2.gz XSRRNVIUFCFFLN-UHFFFAOYSA-N 2 2 354.539 0.829 10 0 FCAELP CC(=O)OC1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000753187655 667543250 /nfs/dbraw/zinc/54/32/50/667543250.db2.gz FTLCQCKQEICVST-QGZVFWFLSA-N 2 2 355.479 0.487 10 0 FCAELP CC(=O)OC1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000753187655 667543254 /nfs/dbraw/zinc/54/32/54/667543254.db2.gz FTLCQCKQEICVST-QGZVFWFLSA-N 2 2 355.479 0.487 10 0 FCAELP O=S(=O)(Cc1ccccc1)N1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923298704 667823175 /nfs/dbraw/zinc/82/31/75/667823175.db2.gz NZHXNMMPCGXAEZ-QGZVFWFLSA-N 2 2 365.499 0.513 10 0 FCAELP CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CCC1 ZINC000923397406 667831234 /nfs/dbraw/zinc/83/12/34/667831234.db2.gz CZOJXKQVJHZGRF-IIAWOOMASA-N 2 2 359.536 0.801 10 0 FCAELP CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CCC1 ZINC000923397406 667831238 /nfs/dbraw/zinc/83/12/38/667831238.db2.gz CZOJXKQVJHZGRF-IIAWOOMASA-N 2 2 359.536 0.801 10 0 FCAELP C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C2)C1 ZINC000820607983 669107657 /nfs/dbraw/zinc/10/76/57/669107657.db2.gz DAHDKKVJTVATRX-ZIFCJYIRSA-N 2 2 351.491 0.811 10 0 FCAELP C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C2)C1 ZINC000820607983 669107665 /nfs/dbraw/zinc/10/76/65/669107665.db2.gz DAHDKKVJTVATRX-ZIFCJYIRSA-N 2 2 351.491 0.811 10 0 FCAELP C[C@H]1CN(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C(=O)[C@H]1C ZINC000839991900 669344710 /nfs/dbraw/zinc/34/47/10/669344710.db2.gz GRDFMUANTUABIK-HOTGVXAUSA-N 2 2 350.507 0.934 10 0 FCAELP C[NH+](C)[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C12CCC2 ZINC000825518625 669457977 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HOALDMIXKQDCRL-LCGIIJARSA-N 2 2 359.474 0.914 10 0 FCAELP O=C(NCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)C1CC1 ZINC001488916825 1208569273 /nfs/dbraw/zinc/56/92/73/1208569273.db2.gz HOALDMIXKQDCRL-LCGIIJARSA-N 2 2 359.474 0.914 10 0 FCAELP CCN(C(=O)C[NH+]1CCCC1)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001488957970 1208585693 /nfs/dbraw/zinc/58/56/93/1208585693.db2.gz NVSIRZKTVJWOAM-BZUAXINKSA-N 2 2 361.490 0.973 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC[N@@H+]1CCNS(C)(=O)=O ZINC001489132727 1208635897 /nfs/dbraw/zinc/63/58/97/1208635897.db2.gz DFMIKGIBZJMLJU-QLFBSQMISA-N 2 2 371.507 0.353 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC[N@H+]1CCNS(C)(=O)=O ZINC001489132727 1208635901 /nfs/dbraw/zinc/63/59/01/1208635901.db2.gz DFMIKGIBZJMLJU-QLFBSQMISA-N 2 2 371.507 0.353 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@@H+]1CCNC(=O)C1CC1 ZINC001489290628 1208721096 /nfs/dbraw/zinc/72/10/96/1208721096.db2.gz 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2 361.490 0.611 10 0 FCAELP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001490327191 1209318821 /nfs/dbraw/zinc/31/88/21/1209318821.db2.gz JPHMVIICGJSTEZ-ZACQAIPSSA-N 2 2 361.490 0.967 10 0 FCAELP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001490327191 1209318823 /nfs/dbraw/zinc/31/88/23/1209318823.db2.gz JPHMVIICGJSTEZ-ZACQAIPSSA-N 2 2 361.490 0.967 10 0 FCAELP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001490327279 1209319013 /nfs/dbraw/zinc/31/90/13/1209319013.db2.gz HNVKTFYCQZEZJT-HZPDHXFCSA-N 2 2 361.490 0.968 10 0 FCAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001490341509 1209326000 /nfs/dbraw/zinc/32/60/00/1209326000.db2.gz PFWDRHVORNHVPW-DTZQCDIJSA-N 2 2 361.490 0.812 10 0 FCAELP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C)C1 ZINC001490365516 1209339391 /nfs/dbraw/zinc/33/93/91/1209339391.db2.gz IXFXJFLDDQMWEX-BZUAXINKSA-N 2 2 361.490 0.895 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CC[NH+](C)Cc1cc(O[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)ccn1 ZINC000856630372 1209721003 /nfs/dbraw/zinc/72/10/03/1209721003.db2.gz DUDPBJZEZPORDL-QZTJIDSGSA-N 2 2 362.474 0.844 10 0 FCAELP CC[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)ccn1 ZINC000856630375 1209721066 /nfs/dbraw/zinc/72/10/66/1209721066.db2.gz DUDPBJZEZPORDL-ZWKOTPCHSA-N 2 2 362.474 0.844 10 0 FCAELP CC[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)ccn1 ZINC000856630375 1209721074 /nfs/dbraw/zinc/72/10/74/1209721074.db2.gz DUDPBJZEZPORDL-ZWKOTPCHSA-N 2 2 362.474 0.844 10 0 FCAELP CC[NH+](C)Cc1cc(O[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)ccn1 ZINC000856630375 1209721083 /nfs/dbraw/zinc/72/10/83/1209721083.db2.gz DUDPBJZEZPORDL-ZWKOTPCHSA-N 2 2 362.474 0.844 10 0 FCAELP CC[NH+](C)Cc1cc(O[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)ccn1 ZINC000856630375 1209721091 /nfs/dbraw/zinc/72/10/91/1209721091.db2.gz DUDPBJZEZPORDL-ZWKOTPCHSA-N 2 2 362.474 0.844 10 0 FCAELP 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CO[C@H]1CC[C@H](C)N(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000867720681 1210026147 /nfs/dbraw/zinc/02/61/47/1210026147.db2.gz JUPGQVYSTDWTFO-RDJZCZTQSA-N 2 2 368.522 0.497 10 0 FCAELP CO[C@H]1CC[C@H](C)N(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000867720681 1210026152 /nfs/dbraw/zinc/02/61/52/1210026152.db2.gz JUPGQVYSTDWTFO-RDJZCZTQSA-N 2 2 368.522 0.497 10 0 FCAELP C[N@@H+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CCC1(C)C ZINC000867743572 1210027448 /nfs/dbraw/zinc/02/74/48/1210027448.db2.gz DSOKHKYXMQRNTJ-INIZCTEOSA-N 2 2 366.506 0.252 10 0 FCAELP C[N@H+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CCC1(C)C ZINC000867743572 1210027453 /nfs/dbraw/zinc/02/74/53/1210027453.db2.gz DSOKHKYXMQRNTJ-INIZCTEOSA-N 2 2 366.506 0.252 10 0 FCAELP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000868228113 1210045051 /nfs/dbraw/zinc/04/50/51/1210045051.db2.gz CCXYVLAZHRVNGM-OKZBNKHCSA-N 2 2 372.469 0.763 10 0 FCAELP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000868356126 1210054634 /nfs/dbraw/zinc/05/46/34/1210054634.db2.gz RZPCGRHTIYHVTD-HXUWFJFHSA-N 2 2 373.501 0.954 10 0 FCAELP O=C(/C=C\C[NH+]1CCOCC1)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000869241520 1210087461 /nfs/dbraw/zinc/08/74/61/1210087461.db2.gz HQIYIPKOGHTIAL-AHUOSZMWSA-N 2 2 359.470 0.758 10 0 FCAELP O=C(/C=C\C[NH+]1CCOCC1)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000869241520 1210087466 /nfs/dbraw/zinc/08/74/66/1210087466.db2.gz HQIYIPKOGHTIAL-AHUOSZMWSA-N 2 2 359.470 0.758 10 0 FCAELP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000870977247 1210124130 /nfs/dbraw/zinc/12/41/30/1210124130.db2.gz CPJQZDBMESUIPD-IAGOWNOFSA-N 2 2 363.458 0.593 10 0 FCAELP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000870977247 1210124139 /nfs/dbraw/zinc/12/41/39/1210124139.db2.gz CPJQZDBMESUIPD-IAGOWNOFSA-N 2 2 363.458 0.593 10 0 FCAELP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000870979577 1210124224 /nfs/dbraw/zinc/12/42/24/1210124224.db2.gz PEIWMSIKKXNEQL-IRXDYDNUSA-N 2 2 363.458 0.593 10 0 FCAELP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000870979577 1210124226 /nfs/dbraw/zinc/12/42/26/1210124226.db2.gz PEIWMSIKKXNEQL-IRXDYDNUSA-N 2 2 363.458 0.593 10 0 FCAELP C[C@]12C[NH2+]C[C@H]1C[N@H+](CC(=O)N1CCC(NC(=O)c3ccccc3)CC1)C2 ZINC000872153589 1210173374 /nfs/dbraw/zinc/17/33/74/1210173374.db2.gz LPKSUVNCVLZMAS-LAUBAEHRSA-N 2 2 370.497 0.949 10 0 FCAELP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CC(=O)N1CCC(NC(=O)c3ccccc3)CC1)C2 ZINC000872153589 1210173386 /nfs/dbraw/zinc/17/33/86/1210173386.db2.gz LPKSUVNCVLZMAS-LAUBAEHRSA-N 2 2 370.497 0.949 10 0 FCAELP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)[C@@H](c2ccccc2)C1 ZINC000872185640 1210174560 /nfs/dbraw/zinc/17/45/60/1210174560.db2.gz OYQVTSXTEVNJBQ-SQGPQFPESA-N 2 2 356.470 0.570 10 0 FCAELP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)[C@@H](c2ccccc2)C1 ZINC000872185640 1210174580 /nfs/dbraw/zinc/17/45/80/1210174580.db2.gz OYQVTSXTEVNJBQ-SQGPQFPESA-N 2 2 356.470 0.570 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N(C)CCCCCC[NH3+])CC2)cc[nH+]1 ZINC000872192398 1210176998 /nfs/dbraw/zinc/17/69/98/1210176998.db2.gz VHNMFIBXGINDCE-UHFFFAOYSA-N 2 2 362.478 0.411 10 0 FCAELP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)ccn12 ZINC000872303742 1210188839 /nfs/dbraw/zinc/18/88/39/1210188839.db2.gz CIRXRECZDKFOBT-KFWWJZLASA-N 2 2 355.398 0.650 10 0 FCAELP CC(=O)C1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000875214807 1210352470 /nfs/dbraw/zinc/35/24/70/1210352470.db2.gz SUDKIRPQSKGEQF-MRXNPFEDSA-N 2 2 364.490 0.099 10 0 FCAELP CC(=O)C1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000875214807 1210352472 /nfs/dbraw/zinc/35/24/72/1210352472.db2.gz SUDKIRPQSKGEQF-MRXNPFEDSA-N 2 2 364.490 0.099 10 0 FCAELP CC(=O)N1CCC(NC(=O)C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)CC1 ZINC000880263682 1210524693 /nfs/dbraw/zinc/52/46/93/1210524693.db2.gz ZYGJFTFTVKBUJJ-OAHLLOKOSA-N 2 2 359.474 0.719 10 0 FCAELP CC(=O)N1CCC(NC(=O)C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)CC1 ZINC000880263682 1210524695 /nfs/dbraw/zinc/52/46/95/1210524695.db2.gz ZYGJFTFTVKBUJJ-OAHLLOKOSA-N 2 2 359.474 0.719 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C\C[NH2+]C[C@H]1CCc2ncnn21 ZINC001274377843 1211040356 /nfs/dbraw/zinc/04/03/56/1211040356.db2.gz JKTXTKARKBYNOL-RIMBHEBDSA-N 2 2 355.446 0.565 10 0 FCAELP CC(C)NC(=O)NCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001275935863 1211312263 /nfs/dbraw/zinc/31/22/63/1211312263.db2.gz DAEXKWISSIGBQL-RRFJBIMHSA-N 2 2 364.494 0.668 10 0 FCAELP CC(C)NC(=O)NCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001275935863 1211312266 /nfs/dbraw/zinc/31/22/66/1211312266.db2.gz DAEXKWISSIGBQL-RRFJBIMHSA-N 2 2 364.494 0.668 10 0 FCAELP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000925838027 1211507951 /nfs/dbraw/zinc/50/79/51/1211507951.db2.gz JMDWUCOUHGWUND-DOTOQJQBSA-N 2 2 362.474 0.118 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)CC[C@H]1C[NH3+] ZINC000926287333 1211526670 /nfs/dbraw/zinc/52/66/70/1211526670.db2.gz IWGAIXUWLKCFMJ-BPQIPLTHSA-N 2 2 358.486 0.945 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC[C@H]1C[NH3+] ZINC000926287333 1211526677 /nfs/dbraw/zinc/52/66/77/1211526677.db2.gz IWGAIXUWLKCFMJ-BPQIPLTHSA-N 2 2 358.486 0.945 10 0 FCAELP O=C(C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000926348971 1211537546 /nfs/dbraw/zinc/53/75/46/1211537546.db2.gz XSUCILIHMRQFAC-VQIMIIECSA-N 2 2 358.442 0.806 10 0 FCAELP CN(C(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000926664510 1211553285 /nfs/dbraw/zinc/55/32/85/1211553285.db2.gz WTFUKWKTLKDGJC-DDBAPUKQSA-N 2 2 366.506 0.600 10 0 FCAELP CN(C(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000926664510 1211553290 /nfs/dbraw/zinc/55/32/90/1211553290.db2.gz WTFUKWKTLKDGJC-DDBAPUKQSA-N 2 2 366.506 0.600 10 0 FCAELP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000927292707 1211568905 /nfs/dbraw/zinc/56/89/05/1211568905.db2.gz MNZIPNNROODHSD-HFCFLWKCSA-N 2 2 368.522 0.728 10 0 FCAELP Cc1cccc(NCCNC(=O)C(=O)NCCCC[NH+]2CCOCC2)[nH+]1 ZINC000929427782 1211638341 /nfs/dbraw/zinc/63/83/41/1211638341.db2.gz MKZOVDZIWVJJFM-UHFFFAOYSA-N 2 2 363.462 0.147 10 0 FCAELP CCO[C@@H](CNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)C[NH+](C)C ZINC000929766713 1211659193 /nfs/dbraw/zinc/65/91/93/1211659193.db2.gz AEVBSOQGAGUJRU-KRWDZBQOSA-N 2 2 373.457 0.571 10 0 FCAELP Cc1cnc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000930172388 1211694481 /nfs/dbraw/zinc/69/44/81/1211694481.db2.gz CMJQVUXANNIEHB-INIZCTEOSA-N 2 2 373.501 0.599 10 0 FCAELP Cc1cnc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000930172388 1211694485 /nfs/dbraw/zinc/69/44/85/1211694485.db2.gz CMJQVUXANNIEHB-INIZCTEOSA-N 2 2 373.501 0.599 10 0 FCAELP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[N@@H+](C)[C@@H](CO)C2)CC1 ZINC000931410655 1211754000 /nfs/dbraw/zinc/75/40/00/1211754000.db2.gz YGYPVIASZGNOCJ-LJQANCHMSA-N 2 2 360.502 0.248 10 0 FCAELP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[N@H+](C)[C@@H](CO)C2)CC1 ZINC000931410655 1211754002 /nfs/dbraw/zinc/75/40/02/1211754002.db2.gz YGYPVIASZGNOCJ-LJQANCHMSA-N 2 2 360.502 0.248 10 0 FCAELP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H](O)Cn3c(=O)onc3-c3ccccc3)C[C@]2(C)C1 ZINC000933740193 1211846072 /nfs/dbraw/zinc/84/60/72/1211846072.db2.gz GVVKZVJCDZHTDD-MDZRGWNJSA-N 2 2 358.442 0.748 10 0 FCAELP C[N@H+]1C[C@@H]2C[NH+](C[C@@H](O)Cn3c(=O)onc3-c3ccccc3)C[C@]2(C)C1 ZINC000933740193 1211846076 /nfs/dbraw/zinc/84/60/76/1211846076.db2.gz GVVKZVJCDZHTDD-MDZRGWNJSA-N 2 2 358.442 0.748 10 0 FCAELP C[NH+]1C[C@@H]2C[N@H+](C[C@@H](O)Cn3c(=O)onc3-c3ccccc3)C[C@]2(C)C1 ZINC000933740193 1211846078 /nfs/dbraw/zinc/84/60/78/1211846078.db2.gz GVVKZVJCDZHTDD-MDZRGWNJSA-N 2 2 358.442 0.748 10 0 FCAELP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H](O)Cn3c(=O)onc3-c3ccccc3)C[C@]2(C)C1 ZINC000933740193 1211846080 /nfs/dbraw/zinc/84/60/80/1211846080.db2.gz GVVKZVJCDZHTDD-MDZRGWNJSA-N 2 2 358.442 0.748 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CCOCCO)C2 ZINC001276876777 1225696293 /nfs/dbraw/zinc/69/62/93/1225696293.db2.gz DGTSEAOJNPGTEH-HZPDHXFCSA-N 2 2 362.474 0.457 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CCOCCO)C2 ZINC001276876777 1225696298 /nfs/dbraw/zinc/69/62/98/1225696298.db2.gz DGTSEAOJNPGTEH-HZPDHXFCSA-N 2 2 362.474 0.457 10 0 FCAELP C/C(=C\C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)C[NH+]1CCOCC1 ZINC000900229762 1217973056 /nfs/dbraw/zinc/97/30/56/1217973056.db2.gz SEOOZELJXVHSKR-GHRIWEEISA-N 2 2 373.501 0.728 10 0 FCAELP C/C(=C/C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)C[NH+]1CCOCC1 ZINC000900504503 1218000049 /nfs/dbraw/zinc/00/00/49/1218000049.db2.gz MMEOHWDGCCPWHA-REZBVGGZSA-N 2 2 364.490 0.206 10 0 FCAELP C/C(=C/C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)C[NH+]1CCOCC1 ZINC000900504503 1218000053 /nfs/dbraw/zinc/00/00/53/1218000053.db2.gz MMEOHWDGCCPWHA-REZBVGGZSA-N 2 2 364.490 0.206 10 0 FCAELP C/C(=C\C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C[NH+]1CCOCC1 ZINC000901105687 1218080878 /nfs/dbraw/zinc/08/08/78/1218080878.db2.gz JPVHBDYHXMPFKZ-ZQHZRZASSA-N 2 2 364.490 0.030 10 0 FCAELP C/C(=C\C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C[NH+]1CCOCC1 ZINC000901105687 1218080886 /nfs/dbraw/zinc/08/08/86/1218080886.db2.gz JPVHBDYHXMPFKZ-ZQHZRZASSA-N 2 2 364.490 0.030 10 0 FCAELP CCCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001491326337 1220111651 /nfs/dbraw/zinc/11/16/51/1220111651.db2.gz GMTSNNFQUQZAMP-MCDJNTACSA-N 2 2 359.474 0.485 10 0 FCAELP CCCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001491326337 1220111656 /nfs/dbraw/zinc/11/16/56/1220111656.db2.gz GMTSNNFQUQZAMP-MCDJNTACSA-N 2 2 359.474 0.485 10 0 FCAELP Cn1ncc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C1CC1 ZINC000784804014 1221260062 /nfs/dbraw/zinc/26/00/62/1221260062.db2.gz RTUNFLYUILFFCV-CQSZACIVSA-N 2 2 374.489 0.521 10 0 FCAELP Cn1ncc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C1CC1 ZINC000784804014 1221260066 /nfs/dbraw/zinc/26/00/66/1221260066.db2.gz RTUNFLYUILFFCV-CQSZACIVSA-N 2 2 374.489 0.521 10 0 FCAELP C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@H]1F ZINC001117141079 1221478468 /nfs/dbraw/zinc/47/84/68/1221478468.db2.gz PEFYDGVGZNXFCD-RHSMWYFYSA-N 2 2 368.497 0.868 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC[C@]3(C)CC3(F)F)C2)CC1 ZINC001118615729 1221808778 /nfs/dbraw/zinc/80/87/78/1221808778.db2.gz CCBCRSNQPGKTCC-SUMWQHHRSA-N 2 2 372.460 0.823 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC[C@]3(C)CC3(F)F)C2)CC1 ZINC001118615729 1221808781 /nfs/dbraw/zinc/80/87/81/1221808781.db2.gz CCBCRSNQPGKTCC-SUMWQHHRSA-N 2 2 372.460 0.823 10 0 FCAELP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)[C@@H]1CN(C)CC[NH+]1C ZINC001119454753 1221919320 /nfs/dbraw/zinc/91/93/20/1221919320.db2.gz MQXZQHIRRUIPQY-RANZSIQMSA-N 2 2 362.522 0.206 10 0 FCAELP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)[C@@H]1CN(C)CC[NH+]1C ZINC001119454753 1221919323 /nfs/dbraw/zinc/91/93/23/1221919323.db2.gz MQXZQHIRRUIPQY-RANZSIQMSA-N 2 2 362.522 0.206 10 0 FCAELP C[C@H](NC(=O)[C@@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001119454753 1221919329 /nfs/dbraw/zinc/91/93/29/1221919329.db2.gz MQXZQHIRRUIPQY-RANZSIQMSA-N 2 2 362.522 0.206 10 0 FCAELP C[C@H](NC(=O)[C@@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1)[C@@H]1CN(C)CC[N@H+]1C ZINC001119454753 1221919333 /nfs/dbraw/zinc/91/93/33/1221919333.db2.gz MQXZQHIRRUIPQY-RANZSIQMSA-N 2 2 362.522 0.206 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3COC4(CCC4)C3)C2)CC1 ZINC000828202882 1222396100 /nfs/dbraw/zinc/39/61/00/1222396100.db2.gz NAQYRWYONFRFIV-HUUCEWRRSA-N 2 2 364.490 0.099 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3COC4(CCC4)C3)C2)CC1 ZINC000828202882 1222396106 /nfs/dbraw/zinc/39/61/06/1222396106.db2.gz NAQYRWYONFRFIV-HUUCEWRRSA-N 2 2 364.490 0.099 10 0 FCAELP C[C@@H]1C[N@H+](CCO)CCN1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000836240541 1222619735 /nfs/dbraw/zinc/61/97/35/1222619735.db2.gz HYECIWDGVYBGRR-MRXNPFEDSA-N 2 2 361.490 0.969 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000836240541 1222619740 /nfs/dbraw/zinc/61/97/40/1222619740.db2.gz HYECIWDGVYBGRR-MRXNPFEDSA-N 2 2 361.490 0.969 10 0 FCAELP C[C@H]([C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)[NH+]1CCOCC1 ZINC000849521948 1245397978 /nfs/dbraw/zinc/39/79/78/1245397978.db2.gz HXYWRSKVXKKMDI-IDCNUPLLSA-N 2 2 363.506 0.681 10 0 FCAELP C[C@H]([C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)[NH+]1CCOCC1 ZINC000849521948 1245397979 /nfs/dbraw/zinc/39/79/79/1245397979.db2.gz HXYWRSKVXKKMDI-IDCNUPLLSA-N 2 2 363.506 0.681 10 0 FCAELP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC(O)(C[NH2+]CCn2cccn2)CC1 ZINC001328172226 1265496850 /nfs/dbraw/zinc/49/68/50/1265496850.db2.gz TWUHEAMEDOQMDJ-HUUCEWRRSA-N 2 2 358.446 0.353 10 0 FCAELP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC(O)(C[NH2+]CCn2cccn2)CC1 ZINC001328172226 1265496860 /nfs/dbraw/zinc/49/68/60/1265496860.db2.gz TWUHEAMEDOQMDJ-HUUCEWRRSA-N 2 2 358.446 0.353 10 0 FCAELP CCN(C(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)[C@@H]1CC[N@H+](C)C1 ZINC001328279896 1265522033 /nfs/dbraw/zinc/52/20/33/1265522033.db2.gz ALLJOKXYIGGYEY-JKSUJKDBSA-N 2 2 361.490 0.754 10 0 FCAELP CCN(C(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC001328279896 1265522039 /nfs/dbraw/zinc/52/20/39/1265522039.db2.gz ALLJOKXYIGGYEY-JKSUJKDBSA-N 2 2 361.490 0.754 10 0 FCAELP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC001329003912 1265673081 /nfs/dbraw/zinc/67/30/81/1265673081.db2.gz PCNFRJJGWNMHQA-GJZGRUSLSA-N 2 2 359.474 0.602 10 0 FCAELP CCN(OC)C(=O)CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC001329239354 1265718939 /nfs/dbraw/zinc/71/89/39/1265718939.db2.gz IZHRBSZZHVQNRU-UHFFFAOYSA-N 2 2 369.510 0.646 10 0 FCAELP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)C1 ZINC001329563521 1265782641 /nfs/dbraw/zinc/78/26/41/1265782641.db2.gz YENGRJQMNUGLLK-JKSUJKDBSA-N 2 2 361.490 0.931 10 0 FCAELP CCN(C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCOC1 ZINC001329811021 1265858107 /nfs/dbraw/zinc/85/81/07/1265858107.db2.gz PJYYEIQRYFNQHG-DOTOQJQBSA-N 2 2 366.506 0.299 10 0 FCAELP CCN(C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCOC1 ZINC001329811021 1265858118 /nfs/dbraw/zinc/85/81/18/1265858118.db2.gz PJYYEIQRYFNQHG-DOTOQJQBSA-N 2 2 366.506 0.299 10 0 FCAELP CC(=O)N(C(=O)C(=O)N1CCn2c[nH+]cc2C1)c1cccc2c1C[NH2+]CC2 ZINC001329888639 1265885592 /nfs/dbraw/zinc/88/55/92/1265885592.db2.gz PHRGKTMFWJFPPR-UHFFFAOYSA-N 2 2 367.409 0.451 10 0 FCAELP c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCC[N@@H+](Cc2nnc3n2CCOC3)C1 ZINC001329926525 1265896055 /nfs/dbraw/zinc/89/60/55/1265896055.db2.gz VFLRLVDVNMNTPI-AWEZNQCLSA-N 2 2 372.477 0.321 10 0 FCAELP c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCC[N@H+](Cc2nnc3n2CCOC3)C1 ZINC001329926525 1265896063 /nfs/dbraw/zinc/89/60/63/1265896063.db2.gz VFLRLVDVNMNTPI-AWEZNQCLSA-N 2 2 372.477 0.321 10 0 FCAELP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@@H+](Cc2nnc3n2CCOC3)C1 ZINC001329926526 1265896859 /nfs/dbraw/zinc/89/68/59/1265896859.db2.gz VFLRLVDVNMNTPI-CQSZACIVSA-N 2 2 372.477 0.321 10 0 FCAELP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@H+](Cc2nnc3n2CCOC3)C1 ZINC001329926526 1265896868 /nfs/dbraw/zinc/89/68/68/1265896868.db2.gz VFLRLVDVNMNTPI-CQSZACIVSA-N 2 2 372.477 0.321 10 0 FCAELP CCC[N@H+](C)CCC(=O)N1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC001521650180 1266158367 /nfs/dbraw/zinc/15/83/67/1266158367.db2.gz NRNOESRYPJSIRQ-HNAYVOBHSA-N 2 2 361.490 0.991 10 0 FCAELP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC001521650180 1266158372 /nfs/dbraw/zinc/15/83/72/1266158372.db2.gz NRNOESRYPJSIRQ-HNAYVOBHSA-N 2 2 361.490 0.991 10 0 FCAELP CC(C)[C@@H](C(=O)NC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C)[NH+](C)C ZINC001521920166 1266224178 /nfs/dbraw/zinc/22/41/78/1266224178.db2.gz BEXIDNBYDMKGPP-RKVPGOIHSA-N 2 2 363.506 0.760 10 0 FCAELP CC(=O)N(C(=O)C(=O)N1CC[NH+](C2CC2)CC1)c1cccc2c1C[NH2+]CC2 ZINC001335639770 1259758166 /nfs/dbraw/zinc/75/81/66/1259758166.db2.gz OSTJNQJUGUPHKB-UHFFFAOYSA-N 2 2 370.453 0.518 10 0 FCAELP CCOC(=O)C[C@H]1CCC[N@@H+]1CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC001255273350 1259909712 /nfs/dbraw/zinc/90/97/12/1259909712.db2.gz YDJBJWAHCASWHE-SJORKVTESA-N 2 2 369.506 0.877 10 0 FCAELP CCOC(=O)C[C@H]1CCC[N@H+]1CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC001255273350 1259909717 /nfs/dbraw/zinc/90/97/17/1259909717.db2.gz YDJBJWAHCASWHE-SJORKVTESA-N 2 2 369.506 0.877 10 0 FCAELP CCOC(=O)C[C@H]1CCC[NH+]1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001255273350 1259909721 /nfs/dbraw/zinc/90/97/21/1259909721.db2.gz YDJBJWAHCASWHE-SJORKVTESA-N 2 2 369.506 0.877 10 0 FCAELP CCOC(=O)C[C@H]1CCC[NH+]1CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001255273350 1259909729 /nfs/dbraw/zinc/90/97/29/1259909729.db2.gz YDJBJWAHCASWHE-SJORKVTESA-N 2 2 369.506 0.877 10 0 FCAELP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC001261886605 1260208692 /nfs/dbraw/zinc/20/86/92/1260208692.db2.gz IXPGQYCVOCLCGT-ROUUACIJSA-N 2 2 374.485 0.180 10 0 FCAELP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC001261886605 1260208701 /nfs/dbraw/zinc/20/87/01/1260208701.db2.gz IXPGQYCVOCLCGT-ROUUACIJSA-N 2 2 374.485 0.180 10 0 FCAELP COc1ccc(C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1OCC(N)=O ZINC001332013806 1266316039 /nfs/dbraw/zinc/31/60/39/1266316039.db2.gz QIPBJURUIMHJPU-HNNXBMFYSA-N 2 2 363.458 0.808 10 0 FCAELP C[N@H+](C[C@H](O)C[C@@]1(O)CCOC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001262265438 1260290770 /nfs/dbraw/zinc/29/07/70/1260290770.db2.gz STHIZFCEQQZSHS-HSALFYBXSA-N 2 2 364.486 0.458 10 0 FCAELP C[N@@H+](C[C@H](O)C[C@@]1(O)CCOC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001262265438 1260290773 /nfs/dbraw/zinc/29/07/73/1260290773.db2.gz STHIZFCEQQZSHS-HSALFYBXSA-N 2 2 364.486 0.458 10 0 FCAELP C[NH+](C[C@H](O)C[C@@]1(O)CCOC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001262265438 1260290778 /nfs/dbraw/zinc/29/07/78/1260290778.db2.gz STHIZFCEQQZSHS-HSALFYBXSA-N 2 2 364.486 0.458 10 0 FCAELP C[NH+](C[C@H](O)C[C@@]1(O)CCOC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001262265438 1260290783 /nfs/dbraw/zinc/29/07/83/1260290783.db2.gz STHIZFCEQQZSHS-HSALFYBXSA-N 2 2 364.486 0.458 10 0 FCAELP C[N@H+](C[C@H](O)C[C@]1(O)CCOC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001262265439 1260291770 /nfs/dbraw/zinc/29/17/70/1260291770.db2.gz STHIZFCEQQZSHS-VAMGGRTRSA-N 2 2 364.486 0.458 10 0 FCAELP C[N@@H+](C[C@H](O)C[C@]1(O)CCOC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001262265439 1260291776 /nfs/dbraw/zinc/29/17/76/1260291776.db2.gz STHIZFCEQQZSHS-VAMGGRTRSA-N 2 2 364.486 0.458 10 0 FCAELP C[NH+](C[C@H](O)C[C@]1(O)CCOC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001262265439 1260291786 /nfs/dbraw/zinc/29/17/86/1260291786.db2.gz STHIZFCEQQZSHS-VAMGGRTRSA-N 2 2 364.486 0.458 10 0 FCAELP C[NH+](C[C@H](O)C[C@]1(O)CCOC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001262265439 1260291792 /nfs/dbraw/zinc/29/17/92/1260291792.db2.gz STHIZFCEQQZSHS-VAMGGRTRSA-N 2 2 364.486 0.458 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]([NH2+]CC(=O)N1CCCC1)C1CC1 ZINC001265370097 1260413226 /nfs/dbraw/zinc/41/32/26/1260413226.db2.gz KMEQSLQPLMSPOF-BZUAXINKSA-N 2 2 359.474 0.630 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CC(=O)NC(=O)NC)CC[N@@H+]1C ZINC001265645979 1260417822 /nfs/dbraw/zinc/41/78/22/1260417822.db2.gz ZPLQANSWEBGROY-SOUVJXGZSA-N 2 2 367.494 0.143 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CC(=O)NC(=O)NC)CC[N@H+]1C ZINC001265645979 1260417825 /nfs/dbraw/zinc/41/78/25/1260417825.db2.gz ZPLQANSWEBGROY-SOUVJXGZSA-N 2 2 367.494 0.143 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CC(=O)NC(=O)NC)CC[NH+]1C ZINC001265645979 1260417828 /nfs/dbraw/zinc/41/78/28/1260417828.db2.gz ZPLQANSWEBGROY-SOUVJXGZSA-N 2 2 367.494 0.143 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2CC(=O)NC(=O)NC)CC[NH+]1C ZINC001265645979 1260417831 /nfs/dbraw/zinc/41/78/31/1260417831.db2.gz ZPLQANSWEBGROY-SOUVJXGZSA-N 2 2 367.494 0.143 10 0 FCAELP CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H](C)C(=O)NC(=O)NC ZINC001266051185 1260421660 /nfs/dbraw/zinc/42/16/60/1260421660.db2.gz MZICHYMYDKHKPW-YNEHKIRRSA-N 2 2 364.450 0.186 10 0 FCAELP CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H](C)C(=O)NC(=O)NC ZINC001266051185 1260421665 /nfs/dbraw/zinc/42/16/65/1260421665.db2.gz MZICHYMYDKHKPW-YNEHKIRRSA-N 2 2 364.450 0.186 10 0 FCAELP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C[C@H]1C(F)(F)F ZINC001332232051 1266362815 /nfs/dbraw/zinc/36/28/15/1266362815.db2.gz NMEXPUKKELLFHN-NWDGAFQWSA-N 2 2 373.379 0.711 10 0 FCAELP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C[C@H]1C(F)(F)F ZINC001332232051 1266362824 /nfs/dbraw/zinc/36/28/24/1266362824.db2.gz NMEXPUKKELLFHN-NWDGAFQWSA-N 2 2 373.379 0.711 10 0 FCAELP C[NH+](C)Cc1ccc(C[NH2+]C[C@H]2CC(C(N)=O)=NO2)c2c1OC(F)(F)O2 ZINC001332294738 1266372634 /nfs/dbraw/zinc/37/26/34/1266372634.db2.gz CPLOKHCRXFSXGT-LLVKDONJSA-N 2 2 370.356 0.790 10 0 FCAELP C[C@@H](O)CCC[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCOCC1 ZINC001281265833 1261101941 /nfs/dbraw/zinc/10/19/41/1261101941.db2.gz HCCKGAVNFHTUAV-BZUAXINKSA-N 2 2 364.490 0.940 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1=CCN(C(=O)CC[NH+](C)C)CC1 ZINC001281397835 1261114438 /nfs/dbraw/zinc/11/44/38/1261114438.db2.gz YOKYTDLMLCTVDA-HZPDHXFCSA-N 2 2 359.474 0.750 10 0 FCAELP CC[NH+](CC)CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001281616422 1261125298 /nfs/dbraw/zinc/12/52/98/1261125298.db2.gz XNSLDRQPMISQLS-YQQAZPJKSA-N 2 2 361.490 0.989 10 0 FCAELP CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C)[NH+](C)C ZINC001281800581 1261201529 /nfs/dbraw/zinc/20/15/29/1261201529.db2.gz ILKZRSFWQKIGMR-QGPMSJSTSA-N 2 2 363.506 0.902 10 0 FCAELP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001281803964 1261203803 /nfs/dbraw/zinc/20/38/03/1261203803.db2.gz VBPXYYWUJPLYBD-BFYDXBDKSA-N 2 2 361.490 0.750 10 0 FCAELP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001281803964 1261203808 /nfs/dbraw/zinc/20/38/08/1261203808.db2.gz VBPXYYWUJPLYBD-BFYDXBDKSA-N 2 2 361.490 0.750 10 0 FCAELP COC[C@@H](O)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001281905190 1261273753 /nfs/dbraw/zinc/27/37/53/1261273753.db2.gz GMWPKVKMYUYZQH-BKXFODETSA-N 2 2 370.453 0.892 10 0 FCAELP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001282138848 1261353517 /nfs/dbraw/zinc/35/35/17/1261353517.db2.gz XUQQKAIWMMQGFA-ARFHVFGLSA-N 2 2 361.490 0.706 10 0 FCAELP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001282138848 1261353521 /nfs/dbraw/zinc/35/35/21/1261353521.db2.gz XUQQKAIWMMQGFA-ARFHVFGLSA-N 2 2 361.490 0.706 10 0 FCAELP CCO[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001282178503 1261370157 /nfs/dbraw/zinc/37/01/57/1261370157.db2.gz FRIBWPIUSYTWFA-HUUCEWRRSA-N 2 2 365.478 0.272 10 0 FCAELP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001282178503 1261370164 /nfs/dbraw/zinc/37/01/64/1261370164.db2.gz FRIBWPIUSYTWFA-HUUCEWRRSA-N 2 2 365.478 0.272 10 0 FCAELP CC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H]1C ZINC001282389276 1261441848 /nfs/dbraw/zinc/44/18/48/1261441848.db2.gz KPZHMHAYPOPMCP-VYDXJSESSA-N 2 2 361.490 0.893 10 0 FCAELP CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H]1C ZINC001282389276 1261441853 /nfs/dbraw/zinc/44/18/53/1261441853.db2.gz KPZHMHAYPOPMCP-VYDXJSESSA-N 2 2 361.490 0.893 10 0 FCAELP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H](C[NH2+]CCn1cncn1)C1CC1 ZINC001283543155 1261689782 /nfs/dbraw/zinc/68/97/82/1261689782.db2.gz IOMDSYDHHZSXQA-OAGGEKHMSA-N 2 2 357.462 0.642 10 0 FCAELP C[NH+](C)CC1(C(=O)NC2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001285245134 1261825544 /nfs/dbraw/zinc/82/55/44/1261825544.db2.gz YXNXLWVUBSPXED-NEXFUWMNSA-N 2 2 359.474 0.866 10 0 FCAELP C[NH+](C)CC1(C(=O)NC2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001285245134 1261825548 /nfs/dbraw/zinc/82/55/48/1261825548.db2.gz YXNXLWVUBSPXED-NEXFUWMNSA-N 2 2 359.474 0.866 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001285585620 1261856883 /nfs/dbraw/zinc/85/68/83/1261856883.db2.gz GPLMKLZAWRPXJK-LDUWWUQZSA-N 2 2 359.474 0.797 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C\CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001285585620 1261856887 /nfs/dbraw/zinc/85/68/87/1261856887.db2.gz GPLMKLZAWRPXJK-LDUWWUQZSA-N 2 2 359.474 0.797 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001286238387 1261926582 /nfs/dbraw/zinc/92/65/82/1261926582.db2.gz LWRFTQQMSBNCPM-IIAWOOMASA-N 2 2 361.490 0.829 10 0 FCAELP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC(NC(=O)COCC[NH+](C)C)C1 ZINC001288325185 1262019074 /nfs/dbraw/zinc/01/90/74/1262019074.db2.gz IGNWZMXBPWVIDK-NEXFUWMNSA-N 2 2 363.462 0.197 10 0 FCAELP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC(NC(=O)COCC[NH+](C)C)C1 ZINC001288325185 1262019081 /nfs/dbraw/zinc/01/90/81/1262019081.db2.gz IGNWZMXBPWVIDK-NEXFUWMNSA-N 2 2 363.462 0.197 10 0 FCAELP C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCO1 ZINC001288590373 1262026318 /nfs/dbraw/zinc/02/63/18/1262026318.db2.gz SLFPERKJRFUFQZ-RBSFLKMASA-N 2 2 363.462 0.199 10 0 FCAELP C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCO1 ZINC001288590373 1262026325 /nfs/dbraw/zinc/02/63/25/1262026325.db2.gz SLFPERKJRFUFQZ-RBSFLKMASA-N 2 2 363.462 0.199 10 0 FCAELP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001289659667 1262293988 /nfs/dbraw/zinc/29/39/88/1262293988.db2.gz NDELHIWXOILLLC-CABCVRRESA-N 2 2 365.478 0.082 10 0 FCAELP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001289659667 1262293993 /nfs/dbraw/zinc/29/39/93/1262293993.db2.gz NDELHIWXOILLLC-CABCVRRESA-N 2 2 365.478 0.082 10 0 FCAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001290963118 1262545071 /nfs/dbraw/zinc/54/50/71/1262545071.db2.gz ZHBCLFPUSKIODP-FRFSOERESA-N 2 2 361.490 0.956 10 0 FCAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001290963118 1262545074 /nfs/dbraw/zinc/54/50/74/1262545074.db2.gz ZHBCLFPUSKIODP-FRFSOERESA-N 2 2 361.490 0.956 10 0 FCAELP C[N@H+](CC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@@H]1CCC[C@H]1O ZINC001292105674 1262646270 /nfs/dbraw/zinc/64/62/70/1262646270.db2.gz GRTJZUOBOKSCDM-QZTJIDSGSA-N 2 2 374.485 0.858 10 0 FCAELP C[N@@H+](CC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@@H]1CCC[C@H]1O ZINC001292105674 1262646274 /nfs/dbraw/zinc/64/62/74/1262646274.db2.gz GRTJZUOBOKSCDM-QZTJIDSGSA-N 2 2 374.485 0.858 10 0 FCAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001298852433 1262944994 /nfs/dbraw/zinc/94/49/94/1262944994.db2.gz FGUOKJYMXQAZIL-RFBLXINOSA-N 2 2 361.490 0.875 10 0 FCAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001298852433 1262945001 /nfs/dbraw/zinc/94/50/01/1262945001.db2.gz FGUOKJYMXQAZIL-RFBLXINOSA-N 2 2 361.490 0.875 10 0 FCAELP COc1coc(C[NH2+][C@@H]2CC[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)cc1=O ZINC001479481729 1263217316 /nfs/dbraw/zinc/21/73/16/1263217316.db2.gz LHLNAOMQSFZAJX-QWHCGFSZSA-N 2 2 360.414 0.989 10 0 FCAELP Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2[NH2+]C/C=C\Cl)cn1 ZINC001479503730 1263229741 /nfs/dbraw/zinc/22/97/41/1263229741.db2.gz SITMOKZNOHSCBI-DOALTHTJSA-N 2 2 367.881 0.387 10 0 FCAELP 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C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCn2cc[nH+]c2)C3)CC[N@H+]1C ZINC001702932949 1286008737 /nfs/dbraw/zinc/00/87/37/1286008737.db2.gz RXXMSAZLPVZTBE-MTSZKFMLSA-N 2 2 359.474 0.862 10 0 FCAELP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001702951867 1286018614 /nfs/dbraw/zinc/01/86/14/1286018614.db2.gz FEBBEPXHMQYBHG-ILXRZTDVSA-N 2 2 359.474 0.932 10 0 FCAELP O=C(Cn1cc[nH+]c1)NC[C@]12CCC[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001703061020 1286088452 /nfs/dbraw/zinc/08/84/52/1286088452.db2.gz DYTMUGPNIUTFPV-JXFKEZNVSA-N 2 2 371.485 0.724 10 0 FCAELP CC1CC[NH+](CC(=O)NCCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001703418744 1286106954 /nfs/dbraw/zinc/10/69/54/1286106954.db2.gz BOQCFTHNEDZEMY-HZPDHXFCSA-N 2 2 361.490 0.878 10 0 FCAELP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001705244584 1286362091 /nfs/dbraw/zinc/36/20/91/1286362091.db2.gz HUKJRODPZKNNJS-RRFJBIMHSA-N 2 2 361.490 0.971 10 0 FCAELP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001705244584 1286362099 /nfs/dbraw/zinc/36/20/99/1286362099.db2.gz HUKJRODPZKNNJS-RRFJBIMHSA-N 2 2 361.490 0.971 10 0 FCAELP CCN(C)C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001707107591 1286446981 /nfs/dbraw/zinc/44/69/81/1286446981.db2.gz NPBVIKSZQLPJDN-HRCADAONSA-N 2 2 361.490 0.798 10 0 FCAELP C[C@H](CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCCO)C1)n1cc[nH+]c1 ZINC001707128640 1286464548 /nfs/dbraw/zinc/46/45/48/1286464548.db2.gz GXLAFUUFFAKDDP-HYVNUMGLSA-N 2 2 360.462 0.534 10 0 FCAELP CCS(=O)(=O)NCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001707163737 1286485693 /nfs/dbraw/zinc/48/56/93/1286485693.db2.gz NVCYUVXJIQMMIJ-KGLIPLIRSA-N 2 2 371.507 0.108 10 0 FCAELP C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001707169126 1286488959 /nfs/dbraw/zinc/48/89/59/1286488959.db2.gz BWPRUKQOKFJZOY-IKGGRYGDSA-N 2 2 360.462 0.357 10 0 FCAELP CO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001719233435 1287914215 /nfs/dbraw/zinc/91/42/15/1287914215.db2.gz AXJVGUZRAICPKA-RRCSTGOVSA-N 2 2 363.462 0.197 10 0 FCAELP CO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001719233435 1287914222 /nfs/dbraw/zinc/91/42/22/1287914222.db2.gz AXJVGUZRAICPKA-RRCSTGOVSA-N 2 2 363.462 0.197 10 0 FCAELP CC(C)C[C@H](C(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1)n1cc[nH+]c1 ZINC001719306204 1288077078 /nfs/dbraw/zinc/07/70/78/1288077078.db2.gz QMRQJPJGRNAHPA-OAGGEKHMSA-N 2 2 365.478 0.110 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC(=O)N2CCC2)C1 ZINC001724249188 1288435015 /nfs/dbraw/zinc/43/50/15/1288435015.db2.gz KROPIPVOYGHNSP-CLCXKQKWSA-N 2 2 359.474 0.584 10 0 FCAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[N@H+](C)Cc1ccn(C)c(=O)c1 ZINC001725180039 1288459853 /nfs/dbraw/zinc/45/98/53/1288459853.db2.gz KMGUGERREFHPCR-FVQBIDKESA-N 2 2 357.458 0.859 10 0 FCAELP 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CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2noc3c2CCCC3)CC[N@H+]1C ZINC001734367512 1288651120 /nfs/dbraw/zinc/65/11/20/1288651120.db2.gz AZVXOKZPCRAASC-UKPHBRMFSA-N 2 2 364.490 0.850 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@H](CNC(=O)Cc2c[nH+]cn2C)C(C)(C)C)CC[N@@H+]1C ZINC001735454394 1288746663 /nfs/dbraw/zinc/74/66/63/1288746663.db2.gz NWXAZZXDIVZTGS-FVQBIDKESA-N 2 2 363.506 0.950 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@H](CNC(=O)Cc2c[nH+]cn2C)C(C)(C)C)CC[N@H+]1C ZINC001735454394 1288746668 /nfs/dbraw/zinc/74/66/68/1288746668.db2.gz NWXAZZXDIVZTGS-FVQBIDKESA-N 2 2 363.506 0.950 10 0 FCAELP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001735706723 1288780337 /nfs/dbraw/zinc/78/03/37/1288780337.db2.gz LSUPPDKPSOZWCK-HLLBOEOZSA-N 2 2 361.490 0.988 10 0 FCAELP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001735706723 1288780344 /nfs/dbraw/zinc/78/03/44/1288780344.db2.gz LSUPPDKPSOZWCK-HLLBOEOZSA-N 2 2 361.490 0.988 10 0 FCAELP 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CN(C[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1)CC(F)(F)F ZINC001657881447 1291616692 /nfs/dbraw/zinc/61/66/92/1291616692.db2.gz XYFNRTSVAFVEFN-ZIAGYGMSSA-N 2 2 366.428 0.256 10 0 FCAELP CS(=O)(=O)CCC[NH2+]C1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001662114020 1291716628 /nfs/dbraw/zinc/71/66/28/1291716628.db2.gz XFAWVKJICPTESB-NEXFUWMNSA-N 2 2 368.503 0.965 10 0 FCAELP CS(=O)(=O)CCC[NH2+]C1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001662114020 1291716634 /nfs/dbraw/zinc/71/66/34/1291716634.db2.gz XFAWVKJICPTESB-NEXFUWMNSA-N 2 2 368.503 0.965 10 0 FCAELP Cn1cc(C[N@@H+]2CC[C@@H](CCNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)nn1 ZINC001664739572 1291809772 /nfs/dbraw/zinc/80/97/72/1291809772.db2.gz ALLDVZGABSJYTD-FVQBIDKESA-N 2 2 357.462 0.681 10 0 FCAELP Cn1cc(C[N@H+]2CC[C@@H](CCNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)nn1 ZINC001664739572 1291809780 /nfs/dbraw/zinc/80/97/80/1291809780.db2.gz ALLDVZGABSJYTD-FVQBIDKESA-N 2 2 357.462 0.681 10 0 FCAELP CCN(CC[NH2+]C[C@H]1CCOC1)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001668507206 1291967195 /nfs/dbraw/zinc/96/71/95/1291967195.db2.gz ZWECGNVHYBNFIL-KURKYZTESA-N 2 2 369.506 0.341 10 0 FCAELP C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001684735402 1292325601 /nfs/dbraw/zinc/32/56/01/1292325601.db2.gz PCGCDKNGEYTXBZ-CVEARBPZSA-N 2 2 365.478 0.205 10 0 FCAELP C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@H]1CN(C)CC[N@@H+]1C ZINC001684804460 1292338324 /nfs/dbraw/zinc/33/83/24/1292338324.db2.gz AGDMBGYJOITJQX-QZTJIDSGSA-N 3 2 370.586 0.536 10 0 FCAELP C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@H]1CN(C)CC[N@H+]1C ZINC001684804460 1292338330 /nfs/dbraw/zinc/33/83/30/1292338330.db2.gz AGDMBGYJOITJQX-QZTJIDSGSA-N 3 2 370.586 0.536 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001684944471 1292376596 /nfs/dbraw/zinc/37/65/96/1292376596.db2.gz SBMUADHSJMQOAC-DLBZAZTESA-N 2 2 361.490 0.943 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001684944471 1292376605 /nfs/dbraw/zinc/37/66/05/1292376605.db2.gz SBMUADHSJMQOAC-DLBZAZTESA-N 2 2 361.490 0.943 10 0 FCAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]2C1 ZINC001685078626 1292419629 /nfs/dbraw/zinc/41/96/29/1292419629.db2.gz OHMYOMYMQJRBNX-CVEARBPZSA-N 2 2 361.490 0.908 10 0 FCAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2C1 ZINC001685078626 1292419632 /nfs/dbraw/zinc/41/96/32/1292419632.db2.gz OHMYOMYMQJRBNX-CVEARBPZSA-N 2 2 361.490 0.908 10 0 FCAELP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C ZINC001685261053 1292470675 /nfs/dbraw/zinc/47/06/75/1292470675.db2.gz FPGLFCSVPPMFON-SNPRPXQTSA-N 2 2 353.442 0.738 10 0 FCAELP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001685692580 1292598447 /nfs/dbraw/zinc/59/84/47/1292598447.db2.gz SSCXGAJFQUWEQQ-HZPDHXFCSA-N 2 2 361.490 0.968 10 0 FCAELP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCc1c[nH+]cn1C)[NH+](C)C ZINC001686100965 1292767264 /nfs/dbraw/zinc/76/72/64/1292767264.db2.gz FESOYIRBYWQCAF-IWCQGFGOSA-N 2 2 361.490 0.941 10 0 FCAELP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC001118481901 847441696 /nfs/dbraw/zinc/44/16/96/847441696.db2.gz GFSUYDREFNKKJE-AWEZNQCLSA-N 2 2 350.467 0.561 10 0 FCAELP C[C@@H](NC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1)C(C)(C)C[NH+](C)C ZINC001119748228 847961880 /nfs/dbraw/zinc/96/18/80/847961880.db2.gz DPMAXOGHBZIGBX-GFCCVEGCSA-N 2 2 369.535 0.913 10 0 FCAELP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)CC1 ZINC001123705288 848627282 /nfs/dbraw/zinc/62/72/82/848627282.db2.gz LNRZJCLMFMKOIG-BRWVUGGUSA-N 2 2 354.495 0.317 10 0 FCAELP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)CC1 ZINC001123705288 848627289 /nfs/dbraw/zinc/62/72/89/848627289.db2.gz LNRZJCLMFMKOIG-BRWVUGGUSA-N 2 2 354.495 0.317 10 0 FCAELP C/C(=C\C(=O)N[C@@H]1CCC[C@H]1[NH+]1CCC(O)CC1)C[NH+]1CCOCC1 ZINC001123861858 848646606 /nfs/dbraw/zinc/64/66/06/848646606.db2.gz KPUXGIMQCXPFJR-ZWOQHNGQSA-N 2 2 351.491 0.759 10 0 FCAELP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC001261489354 858567411 /nfs/dbraw/zinc/56/74/11/858567411.db2.gz SNOJQHZJRAGVDI-OLZOCXBDSA-N 2 2 354.838 0.797 10 0 FCAELP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC[C@H]1CCCO1 ZINC001263972186 859262023 /nfs/dbraw/zinc/26/20/23/859262023.db2.gz UREPOSCJMJNPDP-DJIMGWMZSA-N 2 2 350.463 0.974 10 0 FCAELP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(=O)NCC2CC2)[C@@H]1C ZINC001264140585 859322154 /nfs/dbraw/zinc/32/21/54/859322154.db2.gz LLGKTRGZKQNMBU-HYVNUMGLSA-N 2 2 350.507 0.964 10 0 FCAELP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(=O)NCC2CC2)[C@@H]1C ZINC001264140585 859322160 /nfs/dbraw/zinc/32/21/60/859322160.db2.gz LLGKTRGZKQNMBU-HYVNUMGLSA-N 2 2 350.507 0.964 10 0 FCAELP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)NCC2CC2)[C@@H]1C ZINC001264140585 859322167 /nfs/dbraw/zinc/32/21/67/859322167.db2.gz LLGKTRGZKQNMBU-HYVNUMGLSA-N 2 2 350.507 0.964 10 0 FCAELP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC2CC2)[C@@H]1C ZINC001264140585 859322176 /nfs/dbraw/zinc/32/21/76/859322176.db2.gz LLGKTRGZKQNMBU-HYVNUMGLSA-N 2 2 350.507 0.964 10 0 FCAELP CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001264172776 859341768 /nfs/dbraw/zinc/34/17/68/859341768.db2.gz PZVFCANPUKYHSY-OAGGEKHMSA-N 2 2 359.536 0.730 10 0 FCAELP CC(C)S(=O)(=O)CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001264172776 859341779 /nfs/dbraw/zinc/34/17/79/859341779.db2.gz PZVFCANPUKYHSY-OAGGEKHMSA-N 2 2 359.536 0.730 10 0 FCAELP CC(C)S(=O)(=O)CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001264172776 859341786 /nfs/dbraw/zinc/34/17/86/859341786.db2.gz PZVFCANPUKYHSY-OAGGEKHMSA-N 2 2 359.536 0.730 10 0 FCAELP CC(C)S(=O)(=O)CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001264172776 859341793 /nfs/dbraw/zinc/34/17/93/859341793.db2.gz PZVFCANPUKYHSY-OAGGEKHMSA-N 2 2 359.536 0.730 10 0 FCAELP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001264568496 859388241 /nfs/dbraw/zinc/38/82/41/859388241.db2.gz YWSMPVLKBQNFEI-KGLIPLIRSA-N 2 2 352.483 0.165 10 0 FCAELP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001264568496 859388246 /nfs/dbraw/zinc/38/82/46/859388246.db2.gz YWSMPVLKBQNFEI-KGLIPLIRSA-N 2 2 352.483 0.165 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC[N@@H+]1CCOCCO ZINC001264612607 859399421 /nfs/dbraw/zinc/39/94/21/859399421.db2.gz CQKGQPLTLMFKBD-HRCADAONSA-N 2 2 350.463 0.424 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC[N@H+]1CCOCCO ZINC001264612607 859399431 /nfs/dbraw/zinc/39/94/31/859399431.db2.gz CQKGQPLTLMFKBD-HRCADAONSA-N 2 2 350.463 0.424 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1CCCS(C)(=O)=O ZINC001264616012 859400628 /nfs/dbraw/zinc/40/06/28/859400628.db2.gz MEIOSEUDEBOQCD-XHSDSOJGSA-N 2 2 359.536 0.875 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1CCCS(C)(=O)=O ZINC001264616012 859400631 /nfs/dbraw/zinc/40/06/31/859400631.db2.gz MEIOSEUDEBOQCD-XHSDSOJGSA-N 2 2 359.536 0.875 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1CCCS(C)(=O)=O ZINC001264616012 859400634 /nfs/dbraw/zinc/40/06/34/859400634.db2.gz MEIOSEUDEBOQCD-XHSDSOJGSA-N 2 2 359.536 0.875 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1CCCS(C)(=O)=O ZINC001264616012 859400638 /nfs/dbraw/zinc/40/06/38/859400638.db2.gz MEIOSEUDEBOQCD-XHSDSOJGSA-N 2 2 359.536 0.875 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[N@@H+]1C[C@@H](C)CS(C)(=O)=O ZINC001264614403 859400731 /nfs/dbraw/zinc/40/07/31/859400731.db2.gz YNPQQZHFUYKIAU-VNQPRFMTSA-N 2 2 370.519 0.841 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[N@H+]1C[C@@H](C)CS(C)(=O)=O ZINC001264614403 859400736 /nfs/dbraw/zinc/40/07/36/859400736.db2.gz YNPQQZHFUYKIAU-VNQPRFMTSA-N 2 2 370.519 0.841 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]([NH2+]CCS(C)(=O)=O)C1CC1 ZINC001265372546 859459234 /nfs/dbraw/zinc/45/92/34/859459234.db2.gz LGOLPVMOIYBJJM-MGPQQGTHSA-N 2 2 354.476 0.053 10 0 FCAELP C[C@@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001265487806 859461336 /nfs/dbraw/zinc/46/13/36/859461336.db2.gz INKZVSBEGRIOFJ-HHARLNAUSA-N 2 2 357.470 0.851 10 0 FCAELP COC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001265487617 859461411 /nfs/dbraw/zinc/46/14/11/859461411.db2.gz BUKGSUHKBJSYBV-HHARLNAUSA-N 2 2 355.479 0.138 10 0 FCAELP CN(CC[NH2+]CC1(CS(C)(=O)=O)CC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001267386125 859505336 /nfs/dbraw/zinc/50/53/36/859505336.db2.gz VGHBKUZMKKFVFC-CHWSQXEVSA-N 2 2 354.476 0.386 10 0 FCAELP CN(CC[NH2+]CC1(CS(C)(=O)=O)CC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001267386125 859505349 /nfs/dbraw/zinc/50/53/49/859505349.db2.gz VGHBKUZMKKFVFC-CHWSQXEVSA-N 2 2 354.476 0.386 10 0 FCAELP CC[C@@H](C[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1)OC ZINC001274528520 860770762 /nfs/dbraw/zinc/77/07/62/860770762.db2.gz KUHHPCKOWILVKM-RRFJBIMHSA-N 2 2 350.463 0.881 10 0 FCAELP CC[C@@H](C[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1)OC ZINC001274528520 860770765 /nfs/dbraw/zinc/77/07/65/860770765.db2.gz KUHHPCKOWILVKM-RRFJBIMHSA-N 2 2 350.463 0.881 10 0 FCAELP CC[C@H](C[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1)OC ZINC001274528518 860771009 /nfs/dbraw/zinc/77/10/09/860771009.db2.gz KUHHPCKOWILVKM-RBSFLKMASA-N 2 2 350.463 0.881 10 0 FCAELP CC[C@H](C[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1)OC ZINC001274528518 860771013 /nfs/dbraw/zinc/77/10/13/860771013.db2.gz KUHHPCKOWILVKM-RBSFLKMASA-N 2 2 350.463 0.881 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001282371344 864229030 /nfs/dbraw/zinc/22/90/30/864229030.db2.gz KFEVQOVUPIJIMG-PMPSAXMXSA-N 2 2 354.495 0.155 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001282371344 864229039 /nfs/dbraw/zinc/22/90/39/864229039.db2.gz KFEVQOVUPIJIMG-PMPSAXMXSA-N 2 2 354.495 0.155 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@]3(C)CC3(C)C)C2)CC1 ZINC001350405888 866586886 /nfs/dbraw/zinc/58/68/86/866586886.db2.gz RQADEBNKIDUUIC-AUUYWEPGSA-N 2 2 350.507 0.824 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@]3(C)CC3(C)C)C2)CC1 ZINC001350405888 866586906 /nfs/dbraw/zinc/58/69/06/866586906.db2.gz RQADEBNKIDUUIC-AUUYWEPGSA-N 2 2 350.507 0.824 10 0 FCAELP C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C[NH2+]CCOCC(F)F)C1 ZINC001316696512 867405694 /nfs/dbraw/zinc/40/56/94/867405694.db2.gz JAEDFAADKBBIIX-ILXRZTDVSA-N 2 2 363.449 0.815 10 0 FCAELP C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C[NH2+]CCOCC(F)F)C1 ZINC001316696512 867405703 /nfs/dbraw/zinc/40/57/03/867405703.db2.gz JAEDFAADKBBIIX-ILXRZTDVSA-N 2 2 363.449 0.815 10 0 FCAELP C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C[NH2+]Cc2nc(N(C)C)no2)C1 ZINC001316703353 867410731 /nfs/dbraw/zinc/41/07/31/867410731.db2.gz FNWIROJHALLJFI-KGLIPLIRSA-N 2 2 352.483 0.804 10 0 FCAELP CN(CC[NH2+]C[C@H]1CCCS(=O)(=O)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001317628118 867545069 /nfs/dbraw/zinc/54/50/69/867545069.db2.gz GLCBDSHTGNPWAI-RBSFLKMASA-N 2 2 368.503 0.396 10 0 FCAELP CN(C(=O)NCCC1CS(=O)(=O)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001321722941 868585517 /nfs/dbraw/zinc/58/55/17/868585517.db2.gz RGGNZILLENRQTM-MRXNPFEDSA-N 2 2 372.535 0.231 10 0 FCAELP CN(C(=O)NCCC1CS(=O)(=O)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001321722941 868585523 /nfs/dbraw/zinc/58/55/23/868585523.db2.gz RGGNZILLENRQTM-MRXNPFEDSA-N 2 2 372.535 0.231 10 0 FCAELP O=C(/C=C\C[NH+]1CCOCC1)NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001347358460 872291721 /nfs/dbraw/zinc/29/17/21/872291721.db2.gz PAYQHEOAJCJTJG-DXNDIVFVSA-N 2 2 351.491 0.882 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2nc(C(C)C)ns2)CC[N@@H+]1C ZINC001331712255 873210569 /nfs/dbraw/zinc/21/05/69/873210569.db2.gz MUICQJPFHJNSLH-MELADBBJSA-N 2 2 369.535 0.959 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2nc(C(C)C)ns2)CC[N@H+]1C ZINC001331712255 873210577 /nfs/dbraw/zinc/21/05/77/873210577.db2.gz MUICQJPFHJNSLH-MELADBBJSA-N 2 2 369.535 0.959 10 0 FCAELP COc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)sn1 ZINC001331791526 873248211 /nfs/dbraw/zinc/24/82/11/873248211.db2.gz VMXJGEBOWRBXCJ-RAIGVLPGSA-N 2 2 365.459 0.256 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC001332632368 873590300 /nfs/dbraw/zinc/59/03/00/873590300.db2.gz CASABEXPOSOFSN-GXTWGEPZSA-N 2 2 365.503 0.564 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC001332632368 873590307 /nfs/dbraw/zinc/59/03/07/873590307.db2.gz CASABEXPOSOFSN-GXTWGEPZSA-N 2 2 365.503 0.564 10 0 FCAELP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2cnnn2Cc2ccccc2)CC1 ZINC000291969213 214068873 /nfs/dbraw/zinc/06/88/73/214068873.db2.gz QHLAQFRCYZAQMG-UHFFFAOYSA-N 2 2 356.474 0.969 10 0 FCAELP C[C@@H](CNC(=O)CN1C[C@@H](C)[NH+](C)[C@@H](C)C1)[N@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000930580546 674041440 /nfs/dbraw/zinc/04/14/40/674041440.db2.gz VBGSTCCJCIUIDY-IECFSIQFSA-N 2 2 353.555 0.540 10 0 FCAELP C[C@@H](CNC(=O)CN1C[C@@H](C)[NH+](C)[C@@H](C)C1)[N@@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000930580546 674041442 /nfs/dbraw/zinc/04/14/42/674041442.db2.gz VBGSTCCJCIUIDY-IECFSIQFSA-N 2 2 353.555 0.540 10 0 FCAELP C[C@@H](CNC(=O)CN1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)[NH+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000930580546 674041434 /nfs/dbraw/zinc/04/14/34/674041434.db2.gz VBGSTCCJCIUIDY-IECFSIQFSA-N 2 2 353.555 0.540 10 0 FCAELP C[C@@H](CNC(=O)CN1C[C@@H](C)[N@H+](C)[C@@H](C)C1)[NH+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000930580546 674041436 /nfs/dbraw/zinc/04/14/36/674041436.db2.gz VBGSTCCJCIUIDY-IECFSIQFSA-N 2 2 353.555 0.540 10 0 FCAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[NH2+]C[C@@](C)(F)C2)nc[nH+]1 ZINC000333400108 215275205 /nfs/dbraw/zinc/27/52/05/215275205.db2.gz PXKYALPJYIEHEA-CXAGYDPISA-N 2 2 365.457 0.830 10 0 FCAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[NH2+]C[C@@](C)(F)C2)[nH+]cn1 ZINC000333400108 215275209 /nfs/dbraw/zinc/27/52/09/215275209.db2.gz PXKYALPJYIEHEA-CXAGYDPISA-N 2 2 365.457 0.830 10 0 FCAELP CCOC1CC(CNC(=O)N2CC[NH2+]C[C@@](C)(F)C2)([NH+]2CCOCC2)C1 ZINC000333650670 215304870 /nfs/dbraw/zinc/30/48/70/215304870.db2.gz VQYWSMNLXCNUOH-IIIMJFFVSA-N 2 2 372.485 0.599 10 0 FCAELP CN1C[C@@H](NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1=O ZINC000361358722 215390535 /nfs/dbraw/zinc/39/05/35/215390535.db2.gz NGDIJMSVLVMDRZ-HNNXBMFYSA-N 2 2 351.495 0.467 10 0 FCAELP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CC[C@H]4OCC[NH+](C)[C@H]4C3)cc2C1 ZINC000285111417 213285988 /nfs/dbraw/zinc/28/59/88/213285988.db2.gz HSEQGLRQKLHWDV-DLBZAZTESA-N 2 2 358.442 0.502 10 0 FCAELP C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CC[C@H]4OCC[NH+](C)[C@H]4C3)cc2C1 ZINC000285111417 213285991 /nfs/dbraw/zinc/28/59/91/213285991.db2.gz HSEQGLRQKLHWDV-DLBZAZTESA-N 2 2 358.442 0.502 10 0 FCAELP C[NH+]1Cc2ccc(NC(=O)C(=O)N3CC[C@H]4OCC[N@H+](C)[C@H]4C3)cc2C1 ZINC000285111417 213285996 /nfs/dbraw/zinc/28/59/96/213285996.db2.gz HSEQGLRQKLHWDV-DLBZAZTESA-N 2 2 358.442 0.502 10 0 FCAELP C[NH+]1Cc2ccc(NC(=O)C(=O)N3CC[C@H]4OCC[N@@H+](C)[C@H]4C3)cc2C1 ZINC000285111417 213285998 /nfs/dbraw/zinc/28/59/98/213285998.db2.gz HSEQGLRQKLHWDV-DLBZAZTESA-N 2 2 358.442 0.502 10 0 FCAELP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000284826798 213228511 /nfs/dbraw/zinc/22/85/11/213228511.db2.gz IJZQKOJRQSVCSR-OAHLLOKOSA-N 2 2 370.457 0.684 10 0 FCAELP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000284826798 213228513 /nfs/dbraw/zinc/22/85/13/213228513.db2.gz IJZQKOJRQSVCSR-OAHLLOKOSA-N 2 2 370.457 0.684 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N[C@H](C)C[NH+]3CCCCC3)CC2)cc[nH+]1 ZINC000284166911 213088629 /nfs/dbraw/zinc/08/86/29/213088629.db2.gz WUHGMANGLLXJMI-OAHLLOKOSA-N 2 2 374.489 0.424 10 0 FCAELP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000284035085 213060734 /nfs/dbraw/zinc/06/07/34/213060734.db2.gz RZFSXTMEDKNPPU-DJIMGWMZSA-N 2 2 355.442 0.949 10 0 FCAELP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000284035085 213060737 /nfs/dbraw/zinc/06/07/37/213060737.db2.gz RZFSXTMEDKNPPU-DJIMGWMZSA-N 2 2 355.442 0.949 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)NCC[NH+]3CCC(C)CC3)CC2)cc[nH+]1 ZINC000283938826 213039445 /nfs/dbraw/zinc/03/94/45/213039445.db2.gz HCOZKCBAZZPKSC-UHFFFAOYSA-N 2 2 374.489 0.282 10 0 FCAELP C[NH+](C)CCNC(=O)C1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000367441374 216121350 /nfs/dbraw/zinc/12/13/50/216121350.db2.gz UJKYNCDCDPSPIU-UHFFFAOYSA-N 2 2 366.506 0.158 10 0 FCAELP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)C1 ZINC000246355133 209384964 /nfs/dbraw/zinc/38/49/64/209384964.db2.gz PMTKCPAZKVRXCW-ZBFHGGJFSA-N 2 2 351.495 0.465 10 0 FCAELP CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)C1 ZINC000246355133 209384966 /nfs/dbraw/zinc/38/49/66/209384966.db2.gz PMTKCPAZKVRXCW-ZBFHGGJFSA-N 2 2 351.495 0.465 10 0 FCAELP C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000246545229 209391008 /nfs/dbraw/zinc/39/10/08/209391008.db2.gz XTZLMSRAZIKCBF-ZWKOTPCHSA-N 2 2 362.474 0.690 10 0 FCAELP C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000246545229 209391011 /nfs/dbraw/zinc/39/10/11/209391011.db2.gz XTZLMSRAZIKCBF-ZWKOTPCHSA-N 2 2 362.474 0.690 10 0 FCAELP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245416105 209367582 /nfs/dbraw/zinc/36/75/82/209367582.db2.gz DXLJRGDHLQWNQN-IAGOWNOFSA-N 2 2 367.538 0.959 10 0 FCAELP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245444109 209367672 /nfs/dbraw/zinc/36/76/72/209367672.db2.gz JIYYIDRDRRWGAO-HOTGVXAUSA-N 2 2 350.507 0.920 10 0 FCAELP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245444109 209367676 /nfs/dbraw/zinc/36/76/76/209367676.db2.gz JIYYIDRDRRWGAO-HOTGVXAUSA-N 2 2 350.507 0.920 10 0 FCAELP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245416105 209367579 /nfs/dbraw/zinc/36/75/79/209367579.db2.gz DXLJRGDHLQWNQN-IAGOWNOFSA-N 2 2 367.538 0.959 10 0 FCAELP C[C@@H]1CN(C(=O)C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C[C@@H](C)O1 ZINC000226580146 209339089 /nfs/dbraw/zinc/33/90/89/209339089.db2.gz ACCYPSSDMJJYIS-KZNAEPCWSA-N 2 2 352.523 0.724 10 0 FCAELP C[C@@H]1CN(C(=O)C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C[C@@H](C)O1 ZINC000226580146 209339093 /nfs/dbraw/zinc/33/90/93/209339093.db2.gz ACCYPSSDMJJYIS-KZNAEPCWSA-N 2 2 352.523 0.724 10 0 FCAELP COCCN1CCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1=O ZINC000190799958 209278064 /nfs/dbraw/zinc/27/80/64/209278064.db2.gz HNZPGGCBMVDGRT-UHFFFAOYSA-N 2 2 354.495 0.156 10 0 FCAELP COCCN1CCC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1=O ZINC000190799958 209278066 /nfs/dbraw/zinc/27/80/66/209278066.db2.gz HNZPGGCBMVDGRT-UHFFFAOYSA-N 2 2 354.495 0.156 10 0 FCAELP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000414810448 245326418 /nfs/dbraw/zinc/32/64/18/245326418.db2.gz OEBBZVMHCOWXMW-GFCCVEGCSA-N 2 2 364.421 0.247 10 0 FCAELP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000414810448 245326429 /nfs/dbraw/zinc/32/64/29/245326429.db2.gz OEBBZVMHCOWXMW-GFCCVEGCSA-N 2 2 364.421 0.247 10 0 FCAELP C[NH+](C)CCN1C[C@@H](C(=O)N2CCCN(c3cccc[nH+]3)CC2)CC1=O ZINC000184234206 209159094 /nfs/dbraw/zinc/15/90/94/209159094.db2.gz IERXHICVTDZUJD-INIZCTEOSA-N 2 2 359.474 0.530 10 0 FCAELP C[NH+]1CCN(C(=O)CCNC(=O)N2CCCN(c3cccc[nH+]3)CC2)CC1 ZINC000184277563 209160068 /nfs/dbraw/zinc/16/00/68/209160068.db2.gz ODODSEAMYCHNHC-UHFFFAOYSA-N 2 2 374.489 0.467 10 0 FCAELP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000931659066 674127860 /nfs/dbraw/zinc/12/78/60/674127860.db2.gz PBQWUVFGOTWDQF-UHFFFAOYSA-N 2 2 353.492 0.375 10 0 FCAELP C[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[N@@H+]1CCc2ccccc2C1 ZINC000419237819 246075229 /nfs/dbraw/zinc/07/52/29/246075229.db2.gz OWYQWIXZYNKDEB-LZQZEXGQSA-N 2 2 370.497 0.902 10 0 FCAELP C[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[N@H+]1CCc2ccccc2C1 ZINC000419237819 246075234 /nfs/dbraw/zinc/07/52/34/246075234.db2.gz OWYQWIXZYNKDEB-LZQZEXGQSA-N 2 2 370.497 0.902 10 0 FCAELP C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)[C@@H](C)C[N@@H+]1CCO ZINC000419329979 246100276 /nfs/dbraw/zinc/10/02/76/246100276.db2.gz FROGZUZPYNHGSG-SJORKVTESA-N 2 2 364.490 0.311 10 0 FCAELP C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)[C@@H](C)C[N@H+]1CCO ZINC000419329979 246100279 /nfs/dbraw/zinc/10/02/79/246100279.db2.gz FROGZUZPYNHGSG-SJORKVTESA-N 2 2 364.490 0.311 10 0 FCAELP CCN(C(=O)C(=O)NCc1nc(C[NH+](C)C)cs1)[C@H]1CC[N@H+](CC)C1 ZINC000931665246 674129116 /nfs/dbraw/zinc/12/91/16/674129116.db2.gz IHUTYDZBYUMDRB-AWEZNQCLSA-N 2 2 367.519 0.764 10 0 FCAELP CCN(C(=O)C(=O)NCc1nc(C[NH+](C)C)cs1)[C@H]1CC[N@@H+](CC)C1 ZINC000931665246 674129117 /nfs/dbraw/zinc/12/91/17/674129117.db2.gz IHUTYDZBYUMDRB-AWEZNQCLSA-N 2 2 367.519 0.764 10 0 FCAELP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000419663733 246235258 /nfs/dbraw/zinc/23/52/58/246235258.db2.gz QJRMEKRAXZCCCK-LLVKDONJSA-N 2 2 361.368 0.662 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@@H](C)C[NH2+]1 ZINC000419646412 246228847 /nfs/dbraw/zinc/22/88/47/246228847.db2.gz QQSYDAXHQIAGMV-GJZGRUSLSA-N 2 2 355.442 0.756 10 0 FCAELP [NH3+]C[C@@H](NC(=O)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)C1CC1 ZINC000419707750 246260990 /nfs/dbraw/zinc/26/09/90/246260990.db2.gz FXEPAGBKYFJIIZ-MRXNPFEDSA-N 2 2 364.877 0.668 10 0 FCAELP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)C(=O)NCC1C[NH2+]C1 ZINC000419714506 246265681 /nfs/dbraw/zinc/26/56/81/246265681.db2.gz UDEVKQSEZCVVJE-UHFFFAOYSA-N 2 2 350.850 0.150 10 0 FCAELP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)C(=O)NCC1C[NH2+]C1 ZINC000419714506 246265684 /nfs/dbraw/zinc/26/56/84/246265684.db2.gz UDEVKQSEZCVVJE-UHFFFAOYSA-N 2 2 350.850 0.150 10 0 FCAELP [NH3+]C1(CNC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CCCCC1 ZINC000419801464 246299166 /nfs/dbraw/zinc/29/91/66/246299166.db2.gz JRKNKTGPLVCMMX-INIZCTEOSA-N 2 2 366.506 0.478 10 0 FCAELP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419931836 246376216 /nfs/dbraw/zinc/37/62/16/246376216.db2.gz DEBKTOWGXFNSLO-INIZCTEOSA-N 2 2 354.495 0.062 10 0 FCAELP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000419968522 246392710 /nfs/dbraw/zinc/39/27/10/246392710.db2.gz DUYGJQHMYRTVKT-JKSUJKDBSA-N 2 2 354.495 0.189 10 0 FCAELP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000419968518 246393058 /nfs/dbraw/zinc/39/30/58/246393058.db2.gz DUYGJQHMYRTVKT-HOTGVXAUSA-N 2 2 354.495 0.189 10 0 FCAELP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000423314391 247003873 /nfs/dbraw/zinc/00/38/73/247003873.db2.gz GYHRHDXYGOFYRW-GQIGUUNPSA-N 2 2 373.501 0.730 10 0 FCAELP C[NH2+]CCC1CCN(C(=O)C(=O)N2CCN(c3c[nH+]ccc3C)CC2)CC1 ZINC000423478186 247034982 /nfs/dbraw/zinc/03/49/82/247034982.db2.gz MZTRIZWEZRSPMZ-UHFFFAOYSA-N 2 2 373.501 0.887 10 0 FCAELP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000423607118 247073463 /nfs/dbraw/zinc/07/34/63/247073463.db2.gz MEBUFWKSOULFEE-LSDHHAIUSA-N 2 2 359.474 0.746 10 0 FCAELP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000423646427 247091048 /nfs/dbraw/zinc/09/10/48/247091048.db2.gz PMZYMGRCSARWAA-QGZVFWFLSA-N 2 2 370.457 0.608 10 0 FCAELP O=C(C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000423653577 247095416 /nfs/dbraw/zinc/09/54/16/247095416.db2.gz ZILMTISJHULEMY-DLBZAZTESA-N 2 2 355.442 0.027 10 0 FCAELP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCCO[C@@H](C[NH3+])C1)CC2 ZINC000424020921 247160539 /nfs/dbraw/zinc/16/05/39/247160539.db2.gz MXKLUDAWMFBBFK-INIZCTEOSA-N 2 2 363.458 0.638 10 0 FCAELP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCCO[C@@H](C[NH3+])C1)CC2 ZINC000424020921 247160541 /nfs/dbraw/zinc/16/05/41/247160541.db2.gz MXKLUDAWMFBBFK-INIZCTEOSA-N 2 2 363.458 0.638 10 0 FCAELP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000423702557 247115370 /nfs/dbraw/zinc/11/53/70/247115370.db2.gz YPRJVDUWQLZYTG-QGZVFWFLSA-N 2 2 372.469 0.475 10 0 FCAELP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCCO[C@H](C[NH3+])C1)CC2 ZINC000424020923 247161424 /nfs/dbraw/zinc/16/14/24/247161424.db2.gz MXKLUDAWMFBBFK-MRXNPFEDSA-N 2 2 363.458 0.638 10 0 FCAELP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCCO[C@H](C[NH3+])C1)CC2 ZINC000424020923 247161428 /nfs/dbraw/zinc/16/14/28/247161428.db2.gz MXKLUDAWMFBBFK-MRXNPFEDSA-N 2 2 363.458 0.638 10 0 FCAELP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000425383631 247329863 /nfs/dbraw/zinc/32/98/63/247329863.db2.gz INRPCWWGHYEGEF-INIZCTEOSA-N 2 2 366.506 0.251 10 0 FCAELP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000425383631 247329868 /nfs/dbraw/zinc/32/98/68/247329868.db2.gz INRPCWWGHYEGEF-INIZCTEOSA-N 2 2 366.506 0.251 10 0 FCAELP COC[C@@](C)(CCO)[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000438499768 248087578 /nfs/dbraw/zinc/08/75/78/248087578.db2.gz GTMNITRYSSOXNB-QGZVFWFLSA-N 2 2 355.504 0.769 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C[C@H](C)O)[C@@H](C)CO)CC1 ZINC000443335940 248321717 /nfs/dbraw/zinc/32/17/17/248321717.db2.gz XBFCTBRBYRIZAN-OKZBNKHCSA-N 2 2 363.502 0.955 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C[C@H](C)O)[C@@H](C)CO)CC1 ZINC000443335940 248321718 /nfs/dbraw/zinc/32/17/18/248321718.db2.gz XBFCTBRBYRIZAN-OKZBNKHCSA-N 2 2 363.502 0.955 10 0 FCAELP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271317407 211378455 /nfs/dbraw/zinc/37/84/55/211378455.db2.gz NQTSLXDJEYETSR-KRWDZBQOSA-N 2 2 370.457 0.940 10 0 FCAELP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271317407 211378460 /nfs/dbraw/zinc/37/84/60/211378460.db2.gz NQTSLXDJEYETSR-KRWDZBQOSA-N 2 2 370.457 0.940 10 0 FCAELP CN(CC[N@H+](C)C1CC1)C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000474002765 250264516 /nfs/dbraw/zinc/26/45/16/250264516.db2.gz YBESTMYMWLWIEN-OAHLLOKOSA-N 2 2 362.478 0.647 10 0 FCAELP CN(CC[N@@H+](C)C1CC1)C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000474002765 250264520 /nfs/dbraw/zinc/26/45/20/250264520.db2.gz YBESTMYMWLWIEN-OAHLLOKOSA-N 2 2 362.478 0.647 10 0 FCAELP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+](C)C[C@@H]2CCCO2)CC1 ZINC000076298846 208065775 /nfs/dbraw/zinc/06/57/75/208065775.db2.gz WYIBDIMWRYHBIS-AWEZNQCLSA-N 2 2 373.461 0.123 10 0 FCAELP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+](C)C[C@@H]2CCCO2)CC1 ZINC000076298846 208065782 /nfs/dbraw/zinc/06/57/82/208065782.db2.gz WYIBDIMWRYHBIS-AWEZNQCLSA-N 2 2 373.461 0.123 10 0 FCAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000081095775 208097027 /nfs/dbraw/zinc/09/70/27/208097027.db2.gz LEWOJTNIKQJWCR-CZUORRHYSA-N 2 2 368.503 0.935 10 0 FCAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000081095775 208097033 /nfs/dbraw/zinc/09/70/33/208097033.db2.gz LEWOJTNIKQJWCR-CZUORRHYSA-N 2 2 368.503 0.935 10 0 FCAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000081095775 208097039 /nfs/dbraw/zinc/09/70/39/208097039.db2.gz LEWOJTNIKQJWCR-CZUORRHYSA-N 2 2 368.503 0.935 10 0 FCAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000081095775 208097045 /nfs/dbraw/zinc/09/70/45/208097045.db2.gz LEWOJTNIKQJWCR-CZUORRHYSA-N 2 2 368.503 0.935 10 0 FCAELP CNS(=O)(=O)CCC[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000104097241 208180682 /nfs/dbraw/zinc/18/06/82/208180682.db2.gz UDHNNXQCUSCKST-UHFFFAOYSA-N 2 2 355.508 0.970 10 0 FCAELP COC(=O)[C@@H]1CSCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000412099838 533034017 /nfs/dbraw/zinc/03/40/17/533034017.db2.gz VPGIZSOXONGGIM-AWEZNQCLSA-N 2 2 373.519 0.051 10 0 FCAELP COC(=O)[C@@H]1CSCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000412099838 533034024 /nfs/dbraw/zinc/03/40/24/533034024.db2.gz VPGIZSOXONGGIM-AWEZNQCLSA-N 2 2 373.519 0.051 10 0 FCAELP C[NH+]1CCN(c2ncccc2CNC(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000105197345 208192168 /nfs/dbraw/zinc/19/21/68/208192168.db2.gz LNBRVAWNVQFAOP-UHFFFAOYSA-N 2 2 358.490 0.823 10 0 FCAELP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106163966 208217134 /nfs/dbraw/zinc/21/71/34/208217134.db2.gz PLCISWVHBJBGCF-AWEZNQCLSA-N 2 2 361.490 0.800 10 0 FCAELP O=C(NCCn1cc[nH+]c1)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000117467890 208344752 /nfs/dbraw/zinc/34/47/52/208344752.db2.gz OLBFIVRCMCXOFF-KRWDZBQOSA-N 2 2 373.457 0.650 10 0 FCAELP CCNC(=O)NC(=O)[C@@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119481094 208363109 /nfs/dbraw/zinc/36/31/09/208363109.db2.gz QUAVDSFGTTZVBO-JZWPEALZSA-N 2 2 351.495 0.463 10 0 FCAELP CCNC(=O)NC(=O)[C@@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119481094 208363114 /nfs/dbraw/zinc/36/31/14/208363114.db2.gz QUAVDSFGTTZVBO-JZWPEALZSA-N 2 2 351.495 0.463 10 0 FCAELP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119481094 208363121 /nfs/dbraw/zinc/36/31/21/208363121.db2.gz QUAVDSFGTTZVBO-JZWPEALZSA-N 2 2 351.495 0.463 10 0 FCAELP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119481094 208363124 /nfs/dbraw/zinc/36/31/24/208363124.db2.gz QUAVDSFGTTZVBO-JZWPEALZSA-N 2 2 351.495 0.463 10 0 FCAELP C[C@@H](NC(=O)C1CC[NH+](Cc2nccn2C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000170886911 208871675 /nfs/dbraw/zinc/87/16/75/208871675.db2.gz DJOFXLLFQJCMNF-CVEARBPZSA-N 2 2 363.506 0.858 10 0 FCAELP O=C(Nc1ccccc1C[NH+]1CCOCC1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177689670 209032176 /nfs/dbraw/zinc/03/21/76/209032176.db2.gz BJOYXDNKYJRLEO-QGZVFWFLSA-N 2 2 372.469 0.764 10 0 FCAELP O=C(Nc1ccccc1C[NH+]1CCOCC1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000177689670 209032179 /nfs/dbraw/zinc/03/21/79/209032179.db2.gz BJOYXDNKYJRLEO-QGZVFWFLSA-N 2 2 372.469 0.764 10 0 FCAELP Cc1cc(C)n2c(C[NH2+][C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cnc2n1 ZINC000178906425 209065289 /nfs/dbraw/zinc/06/52/89/209065289.db2.gz BDVGZUNCJLPTAK-MRXNPFEDSA-N 2 2 372.473 0.369 10 0 FCAELP C[NH+]1CCN(Nc2[nH+]cnc(N3CCN(c4ccccc4)CC3)c2N)CC1 ZINC000040726963 136120298 /nfs/dbraw/zinc/12/02/98/136120298.db2.gz PXFIFGABYRIKQG-UHFFFAOYSA-N 2 2 368.489 0.960 10 0 FCAELP C[NH+](C)C1CCN(CCNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000179285351 209076510 /nfs/dbraw/zinc/07/65/10/209076510.db2.gz XBKDRNGXEIBNIO-KRWDZBQOSA-N 2 2 353.511 0.129 10 0 FCAELP C[C@@H]1C(=O)N(C)CCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000187316542 229241166 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CC[NH+]1CCN(C(=O)C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC1 ZINC000287490305 488874444 /nfs/dbraw/zinc/87/44/44/488874444.db2.gz VGMVYQISRCKILN-UHFFFAOYSA-N 2 2 350.438 0.668 10 0 FCAELP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000328268784 488922076 /nfs/dbraw/zinc/92/20/76/488922076.db2.gz FGIMGPPIDNMZSY-OLMMMNRUSA-N 2 2 351.491 0.842 10 0 FCAELP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000328268786 488922127 /nfs/dbraw/zinc/92/21/27/488922127.db2.gz FGIMGPPIDNMZSY-YYAJDYIMSA-N 2 2 351.491 0.842 10 0 FCAELP C[N@@H+]1CCN(C(=O)NCCc2csc(N3CCCC3)n2)[C@H](C[NH3+])C1 ZINC000562803899 491190318 /nfs/dbraw/zinc/19/03/18/491190318.db2.gz GJEREQZKUWEVIC-CQSZACIVSA-N 2 2 352.508 0.570 10 0 FCAELP C[N@H+]1CCN(C(=O)NCCc2csc(N3CCCC3)n2)[C@H](C[NH3+])C1 ZINC000562803899 491190320 /nfs/dbraw/zinc/19/03/20/491190320.db2.gz GJEREQZKUWEVIC-CQSZACIVSA-N 2 2 352.508 0.570 10 0 FCAELP CC(C)(CNC(=O)CN1CCC([NH+]2CCCC2)CC1)[NH+]1CCOCC1 ZINC000051924822 488151430 /nfs/dbraw/zinc/15/14/30/488151430.db2.gz PULMMVUYFHAFJN-UHFFFAOYSA-N 2 2 352.523 0.774 10 0 FCAELP COCCN1C[C@H](C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CC1=O ZINC000329127745 488971680 /nfs/dbraw/zinc/97/16/80/488971680.db2.gz ZEJXFWRHKGDULT-HZPDHXFCSA-N 2 2 366.506 0.108 10 0 FCAELP COCCN1C[C@H](C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CC1=O ZINC000329127745 488971681 /nfs/dbraw/zinc/97/16/81/488971681.db2.gz ZEJXFWRHKGDULT-HZPDHXFCSA-N 2 2 366.506 0.108 10 0 FCAELP CC[NH+]1CCN(CC(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000072956815 488383360 /nfs/dbraw/zinc/38/33/60/488383360.db2.gz OMOBNWRALVSINO-UHFFFAOYSA-N 2 2 373.545 0.688 10 0 FCAELP CC[NH+]1CCN(CC(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)CC1 ZINC000072956815 488383361 /nfs/dbraw/zinc/38/33/61/488383361.db2.gz OMOBNWRALVSINO-UHFFFAOYSA-N 2 2 373.545 0.688 10 0 FCAELP C[NH+]1CCC(CNC(=O)NCC(=O)NC2CC2)([NH+]2CCCCC2)CC1 ZINC000073535486 488384773 /nfs/dbraw/zinc/38/47/73/488384773.db2.gz LZKNLONIWNLFAI-UHFFFAOYSA-N 2 2 351.495 0.515 10 0 FCAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000184783782 488397565 /nfs/dbraw/zinc/39/75/65/488397565.db2.gz FHWRTZSVBHFENK-IXDOHACOSA-N 2 2 356.511 0.584 10 0 FCAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000184783782 488397566 /nfs/dbraw/zinc/39/75/66/488397566.db2.gz FHWRTZSVBHFENK-IXDOHACOSA-N 2 2 356.511 0.584 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000184837305 488398387 /nfs/dbraw/zinc/39/83/87/488398387.db2.gz HZKGSUCYHHKRCP-CVEARBPZSA-N 2 2 356.511 0.441 10 0 FCAELP C[C@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C[C@H](CO)O1 ZINC000189794282 488415701 /nfs/dbraw/zinc/41/57/01/488415701.db2.gz SNXLTGUEPOCQPQ-DLBZAZTESA-N 2 2 368.522 0.728 10 0 FCAELP CC(C)[C@H](CNC(=O)NC[C@H](C)[NH+]1CCOCC1)[NH+]1CCN(C)CC1 ZINC000079126328 488428008 /nfs/dbraw/zinc/42/80/08/488428008.db2.gz FHTAUVUBQVZNOQ-IRXDYDNUSA-N 2 2 355.527 0.278 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCN(C(=O)NCc2ccc(N(C)C)[nH+]c2)CC1 ZINC000268588485 488434174 /nfs/dbraw/zinc/43/41/74/488434174.db2.gz OGCFTXYGSKMTNG-UHFFFAOYSA-N 2 2 362.478 0.453 10 0 FCAELP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000569846072 491198207 /nfs/dbraw/zinc/19/82/07/491198207.db2.gz PGDLMJZACKOTTO-CABCVRRESA-N 2 2 352.431 0.591 10 0 FCAELP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000569846072 491198208 /nfs/dbraw/zinc/19/82/08/491198208.db2.gz PGDLMJZACKOTTO-CABCVRRESA-N 2 2 352.431 0.591 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000268636820 488437775 /nfs/dbraw/zinc/43/77/75/488437775.db2.gz XALJDCMRDRZRQU-OAHLLOKOSA-N 2 2 365.478 0.688 10 0 FCAELP O=C(Cn1cc[nH+]c1)NC[C@@H](NC(=O)Cn1cc[nH+]c1)C1CCCCC1 ZINC000081043057 488439208 /nfs/dbraw/zinc/43/92/08/488439208.db2.gz DMEVDUWYDIFCOS-MRXNPFEDSA-N 2 2 358.446 0.961 10 0 FCAELP CC[NH+]1CCN(CC(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)CC1 ZINC000081257272 488440099 /nfs/dbraw/zinc/44/00/99/488440099.db2.gz MDQKZZHWUNELEA-INIZCTEOSA-N 2 2 361.490 0.560 10 0 FCAELP CC(=O)N1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)C1 ZINC000268682327 488441429 /nfs/dbraw/zinc/44/14/29/488441429.db2.gz MPFLRQSFGNVSSO-INIZCTEOSA-N 2 2 359.474 0.673 10 0 FCAELP CC(=O)N1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)C1 ZINC000268682327 488441430 /nfs/dbraw/zinc/44/14/30/488441430.db2.gz MPFLRQSFGNVSSO-INIZCTEOSA-N 2 2 359.474 0.673 10 0 FCAELP CC[N@@H+]1CCO[C@@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000081466002 488442651 /nfs/dbraw/zinc/44/26/51/488442651.db2.gz DIYSFPXBWUZNQP-QGZVFWFLSA-N 3 2 352.523 0.774 10 0 FCAELP CC[N@H+]1CCO[C@@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000081466002 488442653 /nfs/dbraw/zinc/44/26/53/488442653.db2.gz DIYSFPXBWUZNQP-QGZVFWFLSA-N 3 2 352.523 0.774 10 0 FCAELP CC[N@@H+]1CCO[C@@H](C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)C1 ZINC000081466002 488442655 /nfs/dbraw/zinc/44/26/55/488442655.db2.gz DIYSFPXBWUZNQP-QGZVFWFLSA-N 2 2 352.523 0.774 10 0 FCAELP CC[N@H+]1CCO[C@@H](C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)C1 ZINC000081466002 488442656 /nfs/dbraw/zinc/44/26/56/488442656.db2.gz DIYSFPXBWUZNQP-QGZVFWFLSA-N 2 2 352.523 0.774 10 0 FCAELP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000084926239 488451023 /nfs/dbraw/zinc/45/10/23/488451023.db2.gz DTPXMJMLXPTSLN-IBGZPJMESA-N 2 2 361.486 0.804 10 0 FCAELP O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000246890395 488477193 /nfs/dbraw/zinc/47/71/93/488477193.db2.gz CBAMHLZAOLFIKJ-RBUKOAKNSA-N 2 2 359.470 0.867 10 0 FCAELP O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000246890395 488477195 /nfs/dbraw/zinc/47/71/95/488477195.db2.gz CBAMHLZAOLFIKJ-RBUKOAKNSA-N 2 2 359.470 0.867 10 0 FCAELP O=C(NC[C@H]1C[NH+](C2CC2)CCO1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000246890395 488477197 /nfs/dbraw/zinc/47/71/97/488477197.db2.gz CBAMHLZAOLFIKJ-RBUKOAKNSA-N 2 2 359.470 0.867 10 0 FCAELP O=C(NC[C@H]1C[NH+](C2CC2)CCO1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000246890395 488477199 /nfs/dbraw/zinc/47/71/99/488477199.db2.gz CBAMHLZAOLFIKJ-RBUKOAKNSA-N 2 2 359.470 0.867 10 0 FCAELP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C[C@@H]1C ZINC000246904740 488477811 /nfs/dbraw/zinc/47/78/11/488477811.db2.gz FVFWGHFCCHWNNV-KBPBESRZSA-N 2 2 360.458 0.484 10 0 FCAELP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C[C@@H]1C ZINC000246904740 488477813 /nfs/dbraw/zinc/47/78/13/488477813.db2.gz FVFWGHFCCHWNNV-KBPBESRZSA-N 2 2 360.458 0.484 10 0 FCAELP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C[C@@H]1C ZINC000246904740 488477815 /nfs/dbraw/zinc/47/78/15/488477815.db2.gz FVFWGHFCCHWNNV-KBPBESRZSA-N 2 2 360.458 0.484 10 0 FCAELP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C[C@@H]1C ZINC000246904740 488477816 /nfs/dbraw/zinc/47/78/16/488477816.db2.gz FVFWGHFCCHWNNV-KBPBESRZSA-N 2 2 360.458 0.484 10 0 FCAELP C[C@@H]1C[N@@H+]([C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)c2cccs2)CCO1 ZINC000247177979 488482356 /nfs/dbraw/zinc/48/23/56/488482356.db2.gz ZPFLDGVVCGMPGQ-RBSFLKMASA-N 2 2 353.488 0.957 10 0 FCAELP C[C@@H]1C[N@H+]([C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)c2cccs2)CCO1 ZINC000247177979 488482358 /nfs/dbraw/zinc/48/23/58/488482358.db2.gz ZPFLDGVVCGMPGQ-RBSFLKMASA-N 2 2 353.488 0.957 10 0 FCAELP C[C@@H]1C[NH+]([C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)c2cccs2)CCO1 ZINC000247177979 488482360 /nfs/dbraw/zinc/48/23/60/488482360.db2.gz ZPFLDGVVCGMPGQ-RBSFLKMASA-N 2 2 353.488 0.957 10 0 FCAELP C[C@@H]1C[NH+]([C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)c2cccs2)CCO1 ZINC000247177979 488482361 /nfs/dbraw/zinc/48/23/61/488482361.db2.gz ZPFLDGVVCGMPGQ-RBSFLKMASA-N 2 2 353.488 0.957 10 0 FCAELP COCC[N@@H+]1CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000247246128 488483268 /nfs/dbraw/zinc/48/32/68/488483268.db2.gz XHYKAAISUNSIEC-ZWKOTPCHSA-N 2 2 369.554 0.621 10 0 FCAELP COCC[N@H+]1CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000247246128 488483271 /nfs/dbraw/zinc/48/32/71/488483271.db2.gz XHYKAAISUNSIEC-ZWKOTPCHSA-N 2 2 369.554 0.621 10 0 FCAELP COCC[N@@H+]1CCN(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000247246128 488483273 /nfs/dbraw/zinc/48/32/73/488483273.db2.gz XHYKAAISUNSIEC-ZWKOTPCHSA-N 2 2 369.554 0.621 10 0 FCAELP COCC[N@H+]1CCN(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000247246128 488483276 /nfs/dbraw/zinc/48/32/76/488483276.db2.gz XHYKAAISUNSIEC-ZWKOTPCHSA-N 2 2 369.554 0.621 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000248217032 488494478 /nfs/dbraw/zinc/49/44/78/488494478.db2.gz ZWDKIPQBUZNXQT-IPMKNSEASA-N 3 2 366.550 0.876 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000248217032 488494481 /nfs/dbraw/zinc/49/44/81/488494481.db2.gz ZWDKIPQBUZNXQT-IPMKNSEASA-N 3 2 366.550 0.876 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000248217032 488494482 /nfs/dbraw/zinc/49/44/82/488494482.db2.gz ZWDKIPQBUZNXQT-IPMKNSEASA-N 3 2 366.550 0.876 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000248217032 488494485 /nfs/dbraw/zinc/49/44/85/488494485.db2.gz ZWDKIPQBUZNXQT-IPMKNSEASA-N 3 2 366.550 0.876 10 0 FCAELP CC(C)C(=O)N[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000101551204 488494740 /nfs/dbraw/zinc/49/47/40/488494740.db2.gz NWXYGTWESYDZMV-MRXNPFEDSA-N 2 2 350.507 0.966 10 0 FCAELP CC(C)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000101551204 488494742 /nfs/dbraw/zinc/49/47/42/488494742.db2.gz NWXYGTWESYDZMV-MRXNPFEDSA-N 2 2 350.507 0.966 10 0 FCAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CC(=O)N(C)CC3CC3)CC2)C1 ZINC000106120946 488512198 /nfs/dbraw/zinc/51/21/98/488512198.db2.gz BBOUBHCAPNNBQC-SFHVURJKSA-N 2 2 352.523 0.582 10 0 FCAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CC(=O)N(C)CC3CC3)CC2)C1 ZINC000106120946 488512200 /nfs/dbraw/zinc/51/22/00/488512200.db2.gz BBOUBHCAPNNBQC-SFHVURJKSA-N 2 2 352.523 0.582 10 0 FCAELP C[C@H](CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C[NH+]1CCN(C)CC1 ZINC000112403802 488534151 /nfs/dbraw/zinc/53/41/51/488534151.db2.gz YIHJNNHSQIDABF-QGZVFWFLSA-N 2 2 374.533 0.447 10 0 FCAELP C[C@H](CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)CN1CC[NH+](C)CC1 ZINC000112403802 488534154 /nfs/dbraw/zinc/53/41/54/488534154.db2.gz YIHJNNHSQIDABF-QGZVFWFLSA-N 2 2 374.533 0.447 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261984244 488544517 /nfs/dbraw/zinc/54/45/17/488544517.db2.gz RXUHABXISOMNLG-KZNAEPCWSA-N 3 2 352.523 0.676 10 0 FCAELP CCCNC(=O)C[NH+]1CCC(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000272186900 488566493 /nfs/dbraw/zinc/56/64/93/488566493.db2.gz DWYFCDQFVNNJOG-UHFFFAOYSA-N 2 2 370.457 0.988 10 0 FCAELP COC(=O)CC[N@@H+]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H](C)C1 ZINC000272411575 488579364 /nfs/dbraw/zinc/57/93/64/488579364.db2.gz FTYZLPUFPOQEIP-AWEZNQCLSA-N 2 2 357.414 0.977 10 0 FCAELP COC(=O)CC[N@H+]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H](C)C1 ZINC000272411575 488579366 /nfs/dbraw/zinc/57/93/66/488579366.db2.gz FTYZLPUFPOQEIP-AWEZNQCLSA-N 2 2 357.414 0.977 10 0 FCAELP C[N@H+](C[C@H](O)COC1CCOCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000127506010 488617564 /nfs/dbraw/zinc/61/75/64/488617564.db2.gz WBRJNNKJJKTOPI-SFHVURJKSA-N 2 2 366.506 0.836 10 0 FCAELP C[N@@H+](C[C@H](O)COC1CCOCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000127506010 488617565 /nfs/dbraw/zinc/61/75/65/488617565.db2.gz WBRJNNKJJKTOPI-SFHVURJKSA-N 2 2 366.506 0.836 10 0 FCAELP C[C@@H](CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C[NH+]1CCOCC1 ZINC000133923467 488663387 /nfs/dbraw/zinc/66/33/87/488663387.db2.gz ZHRXQUDDSODQMF-INIZCTEOSA-N 2 2 361.490 0.532 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000150776557 488700377 /nfs/dbraw/zinc/70/03/77/488700377.db2.gz QGVZFPYNLAAGPW-RTBURBONSA-N 3 2 366.550 0.877 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000150776557 488700380 /nfs/dbraw/zinc/70/03/80/488700380.db2.gz QGVZFPYNLAAGPW-RTBURBONSA-N 3 2 366.550 0.877 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000150776557 488700381 /nfs/dbraw/zinc/70/03/81/488700381.db2.gz QGVZFPYNLAAGPW-RTBURBONSA-N 3 2 366.550 0.877 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000150776557 488700384 /nfs/dbraw/zinc/70/03/84/488700384.db2.gz QGVZFPYNLAAGPW-RTBURBONSA-N 3 2 366.550 0.877 10 0 FCAELP CCOC(=O)NCCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154591274 488745040 /nfs/dbraw/zinc/74/50/40/488745040.db2.gz SARZJYBYDKAPPW-XYPWUTKMSA-N 2 2 352.479 0.892 10 0 FCAELP CCOC(=O)NCCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154591274 488745041 /nfs/dbraw/zinc/74/50/41/488745041.db2.gz SARZJYBYDKAPPW-XYPWUTKMSA-N 2 2 352.479 0.892 10 0 FCAELP C[N@H+](CC(=O)NCC1CC1)[C@@H]1CCC[NH+](CC(=O)NCC2CC2)CC1 ZINC000156979073 488768678 /nfs/dbraw/zinc/76/86/78/488768678.db2.gz AFVJCONHCOYPKI-QGZVFWFLSA-N 2 2 350.507 0.825 10 0 FCAELP C[N@@H+](CC(=O)NCC1CC1)[C@@H]1CCC[NH+](CC(=O)NCC2CC2)CC1 ZINC000156979073 488768680 /nfs/dbraw/zinc/76/86/80/488768680.db2.gz AFVJCONHCOYPKI-QGZVFWFLSA-N 2 2 350.507 0.825 10 0 FCAELP C[NH+](CC(=O)NCC1CC1)[C@@H]1CCC[N@H+](CC(=O)NCC2CC2)CC1 ZINC000156979073 488768681 /nfs/dbraw/zinc/76/86/81/488768681.db2.gz AFVJCONHCOYPKI-QGZVFWFLSA-N 2 2 350.507 0.825 10 0 FCAELP C[NH+](CC(=O)NCC1CC1)[C@@H]1CCC[N@@H+](CC(=O)NCC2CC2)CC1 ZINC000156979073 488768683 /nfs/dbraw/zinc/76/86/83/488768683.db2.gz AFVJCONHCOYPKI-QGZVFWFLSA-N 2 2 350.507 0.825 10 0 FCAELP C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)[C@@H](C[NH3+])C1 ZINC000162558873 488803457 /nfs/dbraw/zinc/80/34/57/488803457.db2.gz VBJKCUWVGOXBQD-ABAIWWIYSA-N 2 2 352.385 0.419 10 0 FCAELP C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)[C@@H](C[NH3+])C1 ZINC000162558873 488803458 /nfs/dbraw/zinc/80/34/58/488803458.db2.gz VBJKCUWVGOXBQD-ABAIWWIYSA-N 2 2 352.385 0.419 10 0 FCAELP C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000170843397 488816925 /nfs/dbraw/zinc/81/69/25/488816925.db2.gz UELSIQKXCHDFEI-INIZCTEOSA-N 2 2 360.458 0.620 10 0 FCAELP C[N@H+]1CCO[C@H](CNC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)C1 ZINC000171286278 488821894 /nfs/dbraw/zinc/82/18/94/488821894.db2.gz JOBFYPHKLYBQHF-QGZVFWFLSA-N 2 2 371.441 0.972 10 0 FCAELP CC(=O)N1CSC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172749126 488837488 /nfs/dbraw/zinc/83/74/88/488837488.db2.gz MEMLMMRNGXLIBR-INIZCTEOSA-N 2 2 368.547 0.974 10 0 FCAELP C[NH+]1CCC(CNC(=O)[C@@H]2CCCN(C(N)=O)C2)([NH+]2CCCCC2)CC1 ZINC000172850027 488838562 /nfs/dbraw/zinc/83/85/62/488838562.db2.gz XFRXOAKLRAYJPB-MRXNPFEDSA-N 2 2 365.522 0.844 10 0 FCAELP Cn1cc(S(=O)(=O)NCC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cn1 ZINC000173779610 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/nfs/dbraw/zinc/25/05/84/491250584.db2.gz DLWZAIJHABNMQE-HOTGVXAUSA-N 2 2 363.506 0.705 10 0 FCAELP CC(=O)N1CSC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370821665 489407118 /nfs/dbraw/zinc/40/71/18/489407118.db2.gz VPANTAWHTVIRKM-JKSUJKDBSA-N 2 2 354.520 0.535 10 0 FCAELP CC(=O)N1CSC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370821665 489407120 /nfs/dbraw/zinc/40/71/20/489407120.db2.gz VPANTAWHTVIRKM-JKSUJKDBSA-N 2 2 354.520 0.535 10 0 FCAELP CCC(=O)N1CSC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370830197 489408786 /nfs/dbraw/zinc/40/87/86/489408786.db2.gz LOGDGJMAJGCYQN-HZPDHXFCSA-N 2 2 368.547 0.925 10 0 FCAELP CCC(=O)N1CSC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370830197 489408788 /nfs/dbraw/zinc/40/87/88/489408788.db2.gz LOGDGJMAJGCYQN-HZPDHXFCSA-N 2 2 368.547 0.925 10 0 FCAELP CC[N@@H+]1CC[C@H]2OCCN(CC(=O)NCC(C)(C)[NH+]3CCOCC3)[C@H]2C1 ZINC000555590505 491257801 /nfs/dbraw/zinc/25/78/01/491257801.db2.gz HQYMMJVGNDKHJT-DLBZAZTESA-N 2 2 368.522 0.008 10 0 FCAELP CC[N@H+]1CC[C@H]2OCCN(CC(=O)NCC(C)(C)[NH+]3CCOCC3)[C@H]2C1 ZINC000555590505 491257803 /nfs/dbraw/zinc/25/78/03/491257803.db2.gz HQYMMJVGNDKHJT-DLBZAZTESA-N 2 2 368.522 0.008 10 0 FCAELP CC(C)(CNC(=O)C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1)[NH+]1CCOCC1 ZINC000451880020 489527098 /nfs/dbraw/zinc/52/70/98/489527098.db2.gz MOOAKRHUYCSLEK-JSGCOSHPSA-N 2 2 367.412 0.459 10 0 FCAELP CC(C)(CNC(=O)C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1)[NH+]1CCOCC1 ZINC000451880020 489527101 /nfs/dbraw/zinc/52/71/01/489527101.db2.gz MOOAKRHUYCSLEK-JSGCOSHPSA-N 2 2 367.412 0.459 10 0 FCAELP Cn1ccnc1C[NH+]1CCC(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)CC1 ZINC000563651107 491261103 /nfs/dbraw/zinc/26/11/03/491261103.db2.gz SAMFQLMSSUTVEF-UHFFFAOYSA-N 2 2 357.462 0.704 10 0 FCAELP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000415628451 489538516 /nfs/dbraw/zinc/53/85/16/489538516.db2.gz FKYBBZDAXBMTJR-IYBDPMFKSA-N 2 2 373.457 0.478 10 0 FCAELP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH3+])cc2)CC1 ZINC000415782643 489552544 /nfs/dbraw/zinc/55/25/44/489552544.db2.gz KXHMYFRAZNNPBP-GJZGRUSLSA-N 2 2 361.490 0.615 10 0 FCAELP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000416291766 489577668 /nfs/dbraw/zinc/57/76/68/489577668.db2.gz IBTNOSSSAFJWMM-DLBZAZTESA-N 2 2 361.490 0.117 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000416291766 489577670 /nfs/dbraw/zinc/57/76/70/489577670.db2.gz IBTNOSSSAFJWMM-DLBZAZTESA-N 2 2 361.490 0.117 10 0 FCAELP C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1=O ZINC000372585929 489604009 /nfs/dbraw/zinc/60/40/09/489604009.db2.gz SBAMUENVNHWTFT-INMHGKMJSA-N 2 2 365.522 0.663 10 0 FCAELP C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1=O ZINC000372585929 489604011 /nfs/dbraw/zinc/60/40/11/489604011.db2.gz SBAMUENVNHWTFT-INMHGKMJSA-N 2 2 365.522 0.663 10 0 FCAELP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456220741 489611591 /nfs/dbraw/zinc/61/15/91/489611591.db2.gz XFAZCVCFIIWKIU-BGYRXZFFSA-N 2 2 372.513 0.784 10 0 FCAELP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456220741 489611593 /nfs/dbraw/zinc/61/15/93/489611593.db2.gz XFAZCVCFIIWKIU-BGYRXZFFSA-N 2 2 372.513 0.784 10 0 FCAELP C[C@@H](NC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1)[C@H](C)[NH3+] ZINC000417631359 489660341 /nfs/dbraw/zinc/66/03/41/489660341.db2.gz SBZHNEXCQQUEEH-LSDHHAIUSA-N 2 2 353.511 0.746 10 0 FCAELP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCC[NH+]3CCN(C(=O)C4CCC4)CC3)C[C@@H]12 ZINC000417710953 489662181 /nfs/dbraw/zinc/66/21/81/489662181.db2.gz PQIHCHHIUIMXFZ-BRWVUGGUSA-N 2 2 363.506 0.309 10 0 FCAELP CN(CC(C)(C)C[NH3+])C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000417719066 489662987 /nfs/dbraw/zinc/66/29/87/489662987.db2.gz WGXTWPWJMMOTEH-UHFFFAOYSA-N 2 2 353.511 0.557 10 0 FCAELP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2CCS(C)(=O)=O)CC1 ZINC000428874702 489666695 /nfs/dbraw/zinc/66/66/95/489666695.db2.gz PQBZXPLTRUXBLD-MRXNPFEDSA-N 2 2 359.536 0.876 10 0 FCAELP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2CCS(C)(=O)=O)CC1 ZINC000428874702 489666696 /nfs/dbraw/zinc/66/66/96/489666696.db2.gz PQBZXPLTRUXBLD-MRXNPFEDSA-N 2 2 359.536 0.876 10 0 FCAELP CCCC[C@H](C[NH3+])NC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000417995550 489674732 /nfs/dbraw/zinc/67/47/32/489674732.db2.gz QEEHKOOYPGJVQL-KGLIPLIRSA-N 2 2 350.467 0.728 10 0 FCAELP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@H]2CCCC[N@H+]2CCO)CC1 ZINC000458589330 489689867 /nfs/dbraw/zinc/68/98/67/489689867.db2.gz KNTPUEQZBROLIB-KRWDZBQOSA-N 3 2 355.527 0.158 10 0 FCAELP C[C@@H]([NH3+])[C@H](C)NC(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000418709095 489719558 /nfs/dbraw/zinc/71/95/58/489719558.db2.gz URFHZQMGIDQQHN-KGLIPLIRSA-N 2 2 365.453 0.618 10 0 FCAELP C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000418807162 489732180 /nfs/dbraw/zinc/73/21/80/489732180.db2.gz PMYQUURLENMMGF-STQMWFEESA-N 2 2 368.428 0.899 10 0 FCAELP C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000418807162 489732182 /nfs/dbraw/zinc/73/21/82/489732182.db2.gz PMYQUURLENMMGF-STQMWFEESA-N 2 2 368.428 0.899 10 0 FCAELP C[C@H](CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)N1CC[NH+](C)CC1 ZINC000489976536 489738473 /nfs/dbraw/zinc/73/84/73/489738473.db2.gz HLZDKOSLNFPPLU-MRXNPFEDSA-N 2 2 360.506 0.199 10 0 FCAELP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000418825741 489741198 /nfs/dbraw/zinc/74/11/98/489741198.db2.gz UXHQCLSROOREOU-RHSMWYFYSA-N 2 2 370.457 0.512 10 0 FCAELP O=C(C[N@H+]1CCC[C@](O)(CO)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000459649362 489745463 /nfs/dbraw/zinc/74/54/63/489745463.db2.gz LVHBQHGWYQLICA-QGZVFWFLSA-N 2 2 353.488 0.212 10 0 FCAELP O=C(C[N@@H+]1CCC[C@](O)(CO)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000459649362 489745466 /nfs/dbraw/zinc/74/54/66/489745466.db2.gz LVHBQHGWYQLICA-QGZVFWFLSA-N 2 2 353.488 0.212 10 0 FCAELP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418833784 489745909 /nfs/dbraw/zinc/74/59/09/489745909.db2.gz NQZASTRQLKVYMA-KBAYOESNSA-N 2 2 374.485 0.118 10 0 FCAELP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418833784 489745912 /nfs/dbraw/zinc/74/59/12/489745912.db2.gz NQZASTRQLKVYMA-KBAYOESNSA-N 2 2 374.485 0.118 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@@H]1c1ccc(Cl)cc1 ZINC000418906104 489783847 /nfs/dbraw/zinc/78/38/47/489783847.db2.gz KOBZIUYNXRMWNM-KFWWJZLASA-N 2 2 350.850 0.761 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@@H]1c1ccc(Cl)cc1 ZINC000418906104 489783851 /nfs/dbraw/zinc/78/38/51/489783851.db2.gz KOBZIUYNXRMWNM-KFWWJZLASA-N 2 2 350.850 0.761 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000418905227 489784192 /nfs/dbraw/zinc/78/41/92/489784192.db2.gz JTVNBUFEKPGTNC-KBPBESRZSA-N 2 2 354.401 0.680 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000418905227 489784198 /nfs/dbraw/zinc/78/41/98/489784198.db2.gz JTVNBUFEKPGTNC-KBPBESRZSA-N 2 2 354.401 0.680 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000418906470 489785317 /nfs/dbraw/zinc/78/53/17/489785317.db2.gz KXSJWUZWDYQJQD-BYCMXARLSA-N 2 2 368.840 0.819 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000418906470 489785321 /nfs/dbraw/zinc/78/53/21/489785321.db2.gz KXSJWUZWDYQJQD-BYCMXARLSA-N 2 2 368.840 0.819 10 0 FCAELP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000418911357 489786671 /nfs/dbraw/zinc/78/66/71/489786671.db2.gz PVCRFWCFCSFIMX-DAXOMENPSA-N 2 2 366.412 0.647 10 0 FCAELP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000418911357 489786676 /nfs/dbraw/zinc/78/66/76/489786676.db2.gz PVCRFWCFCSFIMX-DAXOMENPSA-N 2 2 366.412 0.647 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000418912893 489787586 /nfs/dbraw/zinc/78/75/86/489787586.db2.gz RXGZXCUGIWTZDA-IUIKQTSFSA-N 2 2 366.412 0.647 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000418912893 489787591 /nfs/dbraw/zinc/78/75/91/489787591.db2.gz RXGZXCUGIWTZDA-IUIKQTSFSA-N 2 2 366.412 0.647 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000418913624 489788648 /nfs/dbraw/zinc/78/86/48/489788648.db2.gz SOWYERUPLRBWTP-STQMWFEESA-N 2 2 374.819 0.912 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000418913624 489788652 /nfs/dbraw/zinc/78/86/52/489788652.db2.gz SOWYERUPLRBWTP-STQMWFEESA-N 2 2 374.819 0.912 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000418913623 489789088 /nfs/dbraw/zinc/78/90/88/489789088.db2.gz SOWYERUPLRBWTP-QWHCGFSZSA-N 2 2 374.819 0.912 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000418913623 489789093 /nfs/dbraw/zinc/78/90/93/489789093.db2.gz SOWYERUPLRBWTP-QWHCGFSZSA-N 2 2 374.819 0.912 10 0 FCAELP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCN(c3c[nH+]ccc3C)CC2)C1 ZINC000459926947 489796308 /nfs/dbraw/zinc/79/63/08/489796308.db2.gz VXGXFSVRWIOTAH-QGZVFWFLSA-N 2 2 373.501 0.981 10 0 FCAELP CN(C(=O)C(=O)N1CCn2c[nH+]cc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459925815 489796377 /nfs/dbraw/zinc/79/63/77/489796377.db2.gz USXMEDIXZWRMEK-QGZVFWFLSA-N 2 2 367.453 0.958 10 0 FCAELP CN(C(=O)C(=O)N1CCn2c[nH+]cc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459925815 489796382 /nfs/dbraw/zinc/79/63/82/489796382.db2.gz USXMEDIXZWRMEK-QGZVFWFLSA-N 2 2 367.453 0.958 10 0 FCAELP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418937768 489797605 /nfs/dbraw/zinc/79/76/05/489797605.db2.gz GDBHDFSZOPFAAY-OCCSQVGLSA-N 2 2 350.488 0.337 10 0 FCAELP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418937768 489797608 /nfs/dbraw/zinc/79/76/08/489797608.db2.gz GDBHDFSZOPFAAY-OCCSQVGLSA-N 2 2 350.488 0.337 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCCSCC1 ZINC000460017716 489819922 /nfs/dbraw/zinc/81/99/22/489819922.db2.gz FWPNFRSFYVAEFE-UHFFFAOYSA-N 2 2 356.536 0.436 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCCSCC1 ZINC000460017716 489819924 /nfs/dbraw/zinc/81/99/24/489819924.db2.gz FWPNFRSFYVAEFE-UHFFFAOYSA-N 2 2 356.536 0.436 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000420075707 489904461 /nfs/dbraw/zinc/90/44/61/489904461.db2.gz TZLFHLSGDQCAAF-INIZCTEOSA-N 2 2 359.474 0.672 10 0 FCAELP CN(C)CC[N@H+](C)CCCNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000377453522 489906061 /nfs/dbraw/zinc/90/60/61/489906061.db2.gz WFNQHIJOYKLVMC-UHFFFAOYSA-N 2 2 364.538 0.632 10 0 FCAELP CN(C)CC[N@@H+](C)CCCNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000377453522 489906065 /nfs/dbraw/zinc/90/60/65/489906065.db2.gz WFNQHIJOYKLVMC-UHFFFAOYSA-N 2 2 364.538 0.632 10 0 FCAELP CN(CCCNC(=O)C1CC[NH+](Cc2nccn2C)CC1)CC[NH+](C)C ZINC000377453522 489906068 /nfs/dbraw/zinc/90/60/68/489906068.db2.gz WFNQHIJOYKLVMC-UHFFFAOYSA-N 2 2 364.538 0.632 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)c2cnn(C)c2)CC1 ZINC000494804441 489914757 /nfs/dbraw/zinc/91/47/57/489914757.db2.gz COIBUJXRCBFELV-LPHOPBHVSA-N 2 2 371.485 0.949 10 0 FCAELP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000420123345 489919827 /nfs/dbraw/zinc/91/98/27/489919827.db2.gz NJBLPJLXURBFFZ-JKSUJKDBSA-N 2 2 354.495 0.333 10 0 FCAELP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000420144696 489929186 /nfs/dbraw/zinc/92/91/86/489929186.db2.gz NRKUDMSNIVSSOO-ZFWWWQNUSA-N 2 2 350.488 0.507 10 0 FCAELP [NH3+]CC(F)(F)CNC(=O)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000420150990 489932042 /nfs/dbraw/zinc/93/20/42/489932042.db2.gz MDMOWYVMMRZUPX-LBPRGKRZSA-N 2 2 369.416 0.636 10 0 FCAELP CC[NH2+][C@H](C)CNC(=O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000420165394 489937558 /nfs/dbraw/zinc/93/75/58/489937558.db2.gz GYPLBRCKEJLISI-MRXNPFEDSA-N 3 2 367.538 0.167 10 0 FCAELP CC[NH+]1CCN(CC(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CC1 ZINC000461974188 489947505 /nfs/dbraw/zinc/94/75/05/489947505.db2.gz SRQTZRZYUSWUOX-GOSISDBHSA-N 2 2 373.501 0.712 10 0 FCAELP CC[NH+]1CCN(CC(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CC1 ZINC000461974188 489947510 /nfs/dbraw/zinc/94/75/10/489947510.db2.gz SRQTZRZYUSWUOX-GOSISDBHSA-N 2 2 373.501 0.712 10 0 FCAELP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000571186566 491291714 /nfs/dbraw/zinc/29/17/14/491291714.db2.gz PGPQNWVDAOSIHP-WMZOPIPTSA-N 2 2 373.501 0.039 10 0 FCAELP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000378154991 490019582 /nfs/dbraw/zinc/01/95/82/490019582.db2.gz WZXOWMPVFHUXFR-RCCFBDPRSA-N 2 2 366.506 0.746 10 0 FCAELP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000421658548 490095591 /nfs/dbraw/zinc/09/55/91/490095591.db2.gz XAKOIYDEGHNUSP-HOTGVXAUSA-N 2 2 363.506 0.953 10 0 FCAELP CN(C)c1nc(N2CC[NH+](C[C@H](O)COC[C@@H]3CCCO3)CC2)cc[nH+]1 ZINC000532732161 490102153 /nfs/dbraw/zinc/10/21/53/490102153.db2.gz ORGXOIULRSYDCG-HOTGVXAUSA-N 2 2 365.478 0.221 10 0 FCAELP CN(C)c1nc(N2CC[NH+](C[C@@H](O)COC[C@@H]3CCCO3)CC2)cc[nH+]1 ZINC000532732160 490102422 /nfs/dbraw/zinc/10/24/22/490102422.db2.gz ORGXOIULRSYDCG-CVEARBPZSA-N 2 2 365.478 0.221 10 0 FCAELP CCOC(=O)C[C@@H](O)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422023553 490127710 /nfs/dbraw/zinc/12/77/10/490127710.db2.gz PVEFMOALSNZCCE-MRXNPFEDSA-N 2 2 355.479 0.319 10 0 FCAELP CCOC(=O)C[C@@H](O)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422023553 490127716 /nfs/dbraw/zinc/12/77/16/490127716.db2.gz PVEFMOALSNZCCE-MRXNPFEDSA-N 2 2 355.479 0.319 10 0 FCAELP O=C(NCC[NH+]1CCSCC1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000465922174 490152718 /nfs/dbraw/zinc/15/27/18/490152718.db2.gz QZTSKVBCGGEQFQ-MRXNPFEDSA-N 2 2 356.536 0.932 10 0 FCAELP CC[NH+](CC)C[C@H](C)NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000497462552 490164151 /nfs/dbraw/zinc/16/41/51/490164151.db2.gz BXBZBLAQHKCSBL-INIZCTEOSA-N 2 2 367.538 0.960 10 0 FCAELP COC[C@@H](C)OC[C@H](O)C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000447003580 490181545 /nfs/dbraw/zinc/18/15/45/490181545.db2.gz TXGLMIXNCDXEJD-HUUCEWRRSA-N 2 2 353.467 0.077 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)C1=O ZINC000556255180 491306105 /nfs/dbraw/zinc/30/61/05/491306105.db2.gz YRGSILYIJKBTGC-KFWWJZLASA-N 2 2 368.503 0.857 10 0 FCAELP COC(=O)CC1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000497728516 490204465 /nfs/dbraw/zinc/20/44/65/490204465.db2.gz WGHVHUAKGOQQSM-QGZVFWFLSA-N 2 2 369.506 0.735 10 0 FCAELP COC(=O)CC1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000497728516 490204472 /nfs/dbraw/zinc/20/44/72/490204472.db2.gz WGHVHUAKGOQQSM-QGZVFWFLSA-N 2 2 369.506 0.735 10 0 FCAELP [NH3+]C[C@H](C(=O)N1CCC(c2nnc3n2CC[NH2+]C3)CC1)c1ccc(F)cc1 ZINC000571439511 491307974 /nfs/dbraw/zinc/30/79/74/491307974.db2.gz OSTDIEFCJGRXNO-INIZCTEOSA-N 2 2 372.448 0.969 10 0 FCAELP C[NH+]1CCN(c2ccc(CNc3cc[nH+]c(N4CCOCC4)n3)cn2)CC1 ZINC000546745647 490241882 /nfs/dbraw/zinc/24/18/82/490241882.db2.gz YGQJFLBGCWANMN-UHFFFAOYSA-N 2 2 369.473 1.072 10 0 FCAELP C[C@@H](NC(=O)C(=O)NCc1ccc2c[nH+]cn2c1)[C@H](C)[NH+]1CCOCC1 ZINC000422302852 490244106 /nfs/dbraw/zinc/24/41/06/490244106.db2.gz YVGJLAGNIQWQBX-KGLIPLIRSA-N 2 2 359.430 0.176 10 0 FCAELP Nc1c(C(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(=O)[nH]c(=O)n1C1CC1 ZINC000467135734 490256590 /nfs/dbraw/zinc/25/65/90/490256590.db2.gz DEQAQTJNUDADBK-UHFFFAOYSA-N 2 2 358.402 0.651 10 0 FCAELP C[C@H]1C[C@@H](NC(=O)C(=O)NCCc2cn(C)c[nH+]2)C[N@@H+]1Cc1ccccc1 ZINC000422377058 490288296 /nfs/dbraw/zinc/28/82/96/490288296.db2.gz JLBGYFPYJFLWBY-MAUKXSAKSA-N 2 2 369.469 0.858 10 0 FCAELP C[C@H]1C[C@@H](NC(=O)C(=O)NCCc2cn(C)c[nH+]2)C[N@H+]1Cc1ccccc1 ZINC000422377058 490288301 /nfs/dbraw/zinc/28/83/01/490288301.db2.gz JLBGYFPYJFLWBY-MAUKXSAKSA-N 2 2 369.469 0.858 10 0 FCAELP C[C@H]1C[N@H+](C)CCN1c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000408431580 490335049 /nfs/dbraw/zinc/33/50/49/490335049.db2.gz ARDDHPKRJWKZOP-AWEZNQCLSA-N 2 2 353.492 0.158 10 0 FCAELP C[C@H]1C[N@@H+](C)CCN1c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000408431580 490335054 /nfs/dbraw/zinc/33/50/54/490335054.db2.gz ARDDHPKRJWKZOP-AWEZNQCLSA-N 2 2 353.492 0.158 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000422474398 490342987 /nfs/dbraw/zinc/34/29/87/490342987.db2.gz GUEMEHDUBJCQOG-UHFFFAOYSA-N 2 2 369.469 0.466 10 0 FCAELP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(-n2cc[nH+]c2)ccn1 ZINC000571640057 491320061 /nfs/dbraw/zinc/32/00/61/491320061.db2.gz XJDNUMMDHBPVKA-CQSZACIVSA-N 2 2 368.363 0.833 10 0 FCAELP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)Cc2nccc(N)n2)cc[nH+]1 ZINC000548026322 490407757 /nfs/dbraw/zinc/40/77/57/490407757.db2.gz XWMSOXDCTRLVJH-STQMWFEESA-N 2 2 360.441 0.964 10 0 FCAELP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)Cc2nccc(N)n2)cc[nH+]1 ZINC000548026322 490407763 /nfs/dbraw/zinc/40/77/63/490407763.db2.gz XWMSOXDCTRLVJH-STQMWFEESA-N 2 2 360.441 0.964 10 0 FCAELP COc1cc(NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nn1C ZINC000548167130 490432189 /nfs/dbraw/zinc/43/21/89/490432189.db2.gz WPGNDQROPYCARW-YIONKMFJSA-N 2 2 362.478 1.203 10 0 FCAELP COc1cc(NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)nn1C ZINC000548167130 490432193 /nfs/dbraw/zinc/43/21/93/490432193.db2.gz WPGNDQROPYCARW-YIONKMFJSA-N 2 2 362.478 1.203 10 0 FCAELP COc1ccc(C[NH+]2CCN(C(=O)C[NH+]3CC(C)(C(N)=O)C3)CC2)cc1 ZINC000564795373 491327317 /nfs/dbraw/zinc/32/73/17/491327317.db2.gz ATYLGRXUXJFZHB-UHFFFAOYSA-N 2 2 360.458 0.147 10 0 FCAELP O=S(=O)(NCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1cccc(Cl)c1 ZINC000422759642 490472964 /nfs/dbraw/zinc/47/29/64/490472964.db2.gz LCZWSSAQLNHGSS-JKSUJKDBSA-N 2 2 373.906 0.975 10 0 FCAELP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000422832277 490482998 /nfs/dbraw/zinc/48/29/98/490482998.db2.gz FMMKIAKPYRBJAD-IEBWSBKVSA-N 3 2 366.550 0.970 10 0 FCAELP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000422832276 490483438 /nfs/dbraw/zinc/48/34/38/490483438.db2.gz FMMKIAKPYRBJAD-HKUYNNGSSA-N 3 2 366.550 0.970 10 0 FCAELP C[C@]1(c2ccc(C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)cc2)NC(=O)NC1=O ZINC000422883059 490491438 /nfs/dbraw/zinc/49/14/38/490491438.db2.gz UGDOKLINIWSIII-JTDSTZFVSA-N 2 2 358.442 0.598 10 0 FCAELP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422912619 490495740 /nfs/dbraw/zinc/49/57/40/490495740.db2.gz NPGFNLYXYGAVSU-MOPGFXCFSA-N 3 2 360.502 0.835 10 0 FCAELP C[C@@H]1C[C@H](NC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CC[N@@H+]1C ZINC000524723029 490555156 /nfs/dbraw/zinc/55/51/56/490555156.db2.gz CQEMHEBPWSBEBZ-NVXWUHKLSA-N 2 2 365.522 0.713 10 0 FCAELP C[C@@H]1C[C@H](NC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CC[N@H+]1C ZINC000524723029 490555162 /nfs/dbraw/zinc/55/51/62/490555162.db2.gz CQEMHEBPWSBEBZ-NVXWUHKLSA-N 2 2 365.522 0.713 10 0 FCAELP C[NH+](C)CCOc1ccccc1C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000525340883 490598078 /nfs/dbraw/zinc/59/80/78/490598078.db2.gz NILUIUQOVZHZQV-UHFFFAOYSA-N 2 2 372.473 0.677 10 0 FCAELP C[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2CCCO2)([NH+]2CCCCC2)CC1 ZINC000550259928 490648416 /nfs/dbraw/zinc/64/84/16/490648416.db2.gz BERMYAMGJLPBOF-INIZCTEOSA-N 2 2 366.506 0.348 10 0 FCAELP C[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2CCCO2)([NH+]2CCCCC2)CC1 ZINC000550259929 490648775 /nfs/dbraw/zinc/64/87/75/490648775.db2.gz BERMYAMGJLPBOF-MRXNPFEDSA-N 2 2 366.506 0.348 10 0 FCAELP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@H]2CCC[C@@H]21 ZINC000556886877 491342724 /nfs/dbraw/zinc/34/27/24/491342724.db2.gz PRWDRKQSZGPECB-BDXSIMOUSA-N 3 2 350.507 0.382 10 0 FCAELP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@H]2CCC[C@@H]21 ZINC000556886877 491342725 /nfs/dbraw/zinc/34/27/25/491342725.db2.gz PRWDRKQSZGPECB-BDXSIMOUSA-N 3 2 350.507 0.382 10 0 FCAELP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000537979002 490703843 /nfs/dbraw/zinc/70/38/43/490703843.db2.gz QIFWRHWVAHDSTD-IKGGRYGDSA-N 2 2 360.506 0.822 10 0 FCAELP Cc1cnc(N)c(S(=O)(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000539232984 490772380 /nfs/dbraw/zinc/77/23/80/490772380.db2.gz NVKRRZOTXHYCNW-UHFFFAOYSA-N 2 2 355.508 0.619 10 0 FCAELP Cc1cnc(N)c(S(=O)(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000539232984 490772382 /nfs/dbraw/zinc/77/23/82/490772382.db2.gz NVKRRZOTXHYCNW-UHFFFAOYSA-N 2 2 355.508 0.619 10 0 FCAELP CCn1ncc(CNC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000528083776 490776980 /nfs/dbraw/zinc/77/69/80/490776980.db2.gz FYHAABUWMLTACK-SJPCQFCGSA-N 2 2 361.494 0.750 10 0 FCAELP CCn1ncc(CNC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000528083776 490776983 /nfs/dbraw/zinc/77/69/83/490776983.db2.gz FYHAABUWMLTACK-SJPCQFCGSA-N 2 2 361.494 0.750 10 0 FCAELP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000528127431 490779098 /nfs/dbraw/zinc/77/90/98/490779098.db2.gz DDQIBRAZZYFRFY-KRWDZBQOSA-N 2 2 359.434 0.272 10 0 FCAELP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000528127431 490779099 /nfs/dbraw/zinc/77/90/99/490779099.db2.gz DDQIBRAZZYFRFY-KRWDZBQOSA-N 2 2 359.434 0.272 10 0 FCAELP CC[NH2+]CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000557246412 491361753 /nfs/dbraw/zinc/36/17/53/491361753.db2.gz FZJXTSKHOJMABU-CVEARBPZSA-N 2 2 368.428 0.942 10 0 FCAELP CC[NH2+]CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000557246412 491361756 /nfs/dbraw/zinc/36/17/56/491361756.db2.gz FZJXTSKHOJMABU-CVEARBPZSA-N 2 2 368.428 0.942 10 0 FCAELP O=C(Cn1c[nH+]c2c1CCCC2)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000541796628 490872276 /nfs/dbraw/zinc/87/22/76/490872276.db2.gz HRCOMLUDNNQWSB-UHFFFAOYSA-N 2 2 358.446 0.929 10 0 FCAELP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000542115690 490885505 /nfs/dbraw/zinc/88/55/05/490885505.db2.gz LFZFZXYPLLDHBG-CABCVRRESA-N 2 2 364.494 0.941 10 0 FCAELP CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000542115690 490885506 /nfs/dbraw/zinc/88/55/06/490885506.db2.gz LFZFZXYPLLDHBG-CABCVRRESA-N 2 2 364.494 0.941 10 0 FCAELP CC(C)[N@H+](C)CCNC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000542120121 490886188 /nfs/dbraw/zinc/88/61/88/490886188.db2.gz AKSAFWPNPRWJBV-AWEZNQCLSA-N 2 2 350.467 0.551 10 0 FCAELP CC(C)[N@@H+](C)CCNC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000542120121 490886191 /nfs/dbraw/zinc/88/61/91/490886191.db2.gz AKSAFWPNPRWJBV-AWEZNQCLSA-N 2 2 350.467 0.551 10 0 FCAELP C[C@H](NC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000572268207 491359676 /nfs/dbraw/zinc/35/96/76/491359676.db2.gz JSFJALGUGNSMDZ-NCOADZHNSA-N 2 2 368.522 0.591 10 0 FCAELP O=C(N1CC[NH2+]CC1)N1CC[NH+](Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000530242650 490895061 /nfs/dbraw/zinc/89/50/61/490895061.db2.gz NGMRHRHMJXKANK-UHFFFAOYSA-N 2 2 355.446 0.615 10 0 FCAELP O=C(C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)NCc1ccco1 ZINC000542905807 490915291 /nfs/dbraw/zinc/91/52/91/490915291.db2.gz DNAJMYGEQOSDCR-UHFFFAOYSA-N 2 2 350.463 0.282 10 0 FCAELP O=C(C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1)NCc1ccco1 ZINC000542905807 490915292 /nfs/dbraw/zinc/91/52/92/490915292.db2.gz DNAJMYGEQOSDCR-UHFFFAOYSA-N 2 2 350.463 0.282 10 0 FCAELP COC(=O)CN(CC[NH+]1CCOCC1)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000544352810 490966577 /nfs/dbraw/zinc/96/65/77/490966577.db2.gz LLIZJMBYCWAVRO-UHFFFAOYSA-N 2 2 373.457 0.883 10 0 FCAELP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)NCCCN1CCCCCC1=O ZINC000519542819 490975097 /nfs/dbraw/zinc/97/50/97/490975097.db2.gz HZRUETXRQCYKFC-LJQANCHMSA-N 2 2 350.507 0.971 10 0 FCAELP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)NCCCN1CCCCCC1=O 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ZINC000581522323 491775967 /nfs/dbraw/zinc/77/59/67/491775967.db2.gz PWSBKDMGUUVMTR-QGZVFWFLSA-N 2 2 355.442 0.897 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000591083220 491795687 /nfs/dbraw/zinc/79/56/87/491795687.db2.gz RNWGDWUBICYUQX-ROUUACIJSA-N 3 2 363.506 0.993 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000591083220 491795689 /nfs/dbraw/zinc/79/56/89/491795689.db2.gz RNWGDWUBICYUQX-ROUUACIJSA-N 3 2 363.506 0.993 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000591083220 491795691 /nfs/dbraw/zinc/79/56/91/491795691.db2.gz RNWGDWUBICYUQX-ROUUACIJSA-N 2 2 363.506 0.993 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000591083220 491795693 /nfs/dbraw/zinc/79/56/93/491795693.db2.gz RNWGDWUBICYUQX-ROUUACIJSA-N 2 2 363.506 0.993 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@H](n3ccnc3)C2)C1 ZINC000591083220 491795695 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2 373.563 0.793 10 0 FCAELP C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C[NH2+]1 ZINC000627479610 492315791 /nfs/dbraw/zinc/31/57/91/492315791.db2.gz DUWYWNMLQSDLJE-UONOGXRCSA-N 2 2 350.488 0.649 10 0 FCAELP C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C[NH2+]1 ZINC000627479608 492316095 /nfs/dbraw/zinc/31/60/95/492316095.db2.gz DUWYWNMLQSDLJE-KBPBESRZSA-N 2 2 350.488 0.649 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1=O ZINC000654524828 492316385 /nfs/dbraw/zinc/31/63/85/492316385.db2.gz AVBSNWJOFHJIRJ-ZNMIVQPWSA-N 2 2 362.478 0.551 10 0 FCAELP CCOC1CC(CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)([NH+]2CCOCC2)C1 ZINC000654546015 492319601 /nfs/dbraw/zinc/31/96/01/492319601.db2.gz DKNAOSHAKLPADR-GIOYIUAESA-N 2 2 368.522 0.896 10 0 FCAELP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627502494 492325446 /nfs/dbraw/zinc/32/54/46/492325446.db2.gz ZDOQAQPGORXUIU-KCQAQPDRSA-N 2 2 350.488 0.820 10 0 FCAELP CCn1nc(C)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000627517645 492329930 /nfs/dbraw/zinc/32/99/30/492329930.db2.gz JUKLIMFIZVFJHW-AWEZNQCLSA-N 2 2 362.478 0.435 10 0 FCAELP CCn1nc(C)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000627517645 492329936 /nfs/dbraw/zinc/32/99/36/492329936.db2.gz JUKLIMFIZVFJHW-AWEZNQCLSA-N 2 2 362.478 0.435 10 0 FCAELP C[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650065 492330036 /nfs/dbraw/zinc/33/00/36/492330036.db2.gz AGQSRJGISSBMAO-FJIDUMEYSA-N 2 2 368.522 0.990 10 0 FCAELP C[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650065 492330040 /nfs/dbraw/zinc/33/00/40/492330040.db2.gz AGQSRJGISSBMAO-FJIDUMEYSA-N 2 2 368.522 0.990 10 0 FCAELP O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654906963 492375079 /nfs/dbraw/zinc/37/50/79/492375079.db2.gz JPIUEPRFWFGFFM-JKSUJKDBSA-N 2 2 355.398 0.088 10 0 FCAELP 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2 2 366.506 0.342 10 0 FCAELP OCCO[C@@]1(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)CCOC1 ZINC000656472093 492624270 /nfs/dbraw/zinc/62/42/70/492624270.db2.gz BNWRGIBWBYPNOG-QGZVFWFLSA-N 2 2 356.386 0.790 10 0 FCAELP C[C@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000624284126 492633851 /nfs/dbraw/zinc/63/38/51/492633851.db2.gz HOCUWNQJQCVINX-RDJZCZTQSA-N 2 2 366.531 0.977 10 0 FCAELP C[C@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000624284126 492633855 /nfs/dbraw/zinc/63/38/55/492633855.db2.gz HOCUWNQJQCVINX-RDJZCZTQSA-N 2 2 366.531 0.977 10 0 FCAELP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650585713 492652814 /nfs/dbraw/zinc/65/28/14/492652814.db2.gz SWKQYPDQYGWRES-LJQANCHMSA-N 2 2 374.485 0.479 10 0 FCAELP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650585713 492652816 /nfs/dbraw/zinc/65/28/16/492652816.db2.gz SWKQYPDQYGWRES-LJQANCHMSA-N 2 2 374.485 0.479 10 0 FCAELP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000629605551 492658820 /nfs/dbraw/zinc/65/88/20/492658820.db2.gz JUTWHMZMDFUTEG-HIFRSBDPSA-N 2 2 365.430 0.084 10 0 FCAELP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000629605551 492658824 /nfs/dbraw/zinc/65/88/24/492658824.db2.gz JUTWHMZMDFUTEG-HIFRSBDPSA-N 2 2 365.430 0.084 10 0 FCAELP COc1cc(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc(OC)c1OCC(N)=O ZINC000629661716 492662704 /nfs/dbraw/zinc/66/27/04/492662704.db2.gz BTYIXIMFSGNENI-KDURUIRLSA-N 2 2 363.458 0.999 10 0 FCAELP COc1cc(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc(OC)c1OCC(N)=O ZINC000629661716 492662707 /nfs/dbraw/zinc/66/27/07/492662707.db2.gz BTYIXIMFSGNENI-KDURUIRLSA-N 2 2 363.458 0.999 10 0 FCAELP CCO[C@@H]1C[N@H+](Cc2cc(OC)c(OCC(N)=O)c(OC)c2)C[C@H]1C[NH3+] ZINC000650714482 492663641 /nfs/dbraw/zinc/66/36/41/492663641.db2.gz IDLXOTGGLQFVEV-CZUORRHYSA-N 2 2 367.446 0.364 10 0 FCAELP CCO[C@@H]1C[N@@H+](Cc2cc(OC)c(OCC(N)=O)c(OC)c2)C[C@H]1C[NH3+] ZINC000650714482 492663643 /nfs/dbraw/zinc/66/36/43/492663643.db2.gz IDLXOTGGLQFVEV-CZUORRHYSA-N 2 2 367.446 0.364 10 0 FCAELP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC000629785048 492671501 /nfs/dbraw/zinc/67/15/01/492671501.db2.gz XPBSXMGXZGBALD-KDURUIRLSA-N 2 2 357.458 0.188 10 0 FCAELP CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000657071591 492708954 /nfs/dbraw/zinc/70/89/54/492708954.db2.gz RSCSRRPGSKICDZ-AWEZNQCLSA-N 2 2 370.519 0.597 10 0 FCAELP CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000657071591 492708956 /nfs/dbraw/zinc/70/89/56/492708956.db2.gz RSCSRRPGSKICDZ-AWEZNQCLSA-N 2 2 370.519 0.597 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000657092122 492715753 /nfs/dbraw/zinc/71/57/53/492715753.db2.gz QMGCXNYGRJIZTH-UHFFFAOYSA-N 2 2 373.523 0.396 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000657092122 492715754 /nfs/dbraw/zinc/71/57/54/492715754.db2.gz QMGCXNYGRJIZTH-UHFFFAOYSA-N 2 2 373.523 0.396 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000657093335 492716487 /nfs/dbraw/zinc/71/64/87/492716487.db2.gz YEPLUXWBOSKAMF-UHFFFAOYSA-N 2 2 356.448 0.695 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000657093335 492716491 /nfs/dbraw/zinc/71/64/91/492716491.db2.gz YEPLUXWBOSKAMF-UHFFFAOYSA-N 2 2 356.448 0.695 10 0 FCAELP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000651230704 492725635 /nfs/dbraw/zinc/72/56/35/492725635.db2.gz BULJSGOGFXLECQ-MRXNPFEDSA-N 2 2 359.474 0.703 10 0 FCAELP NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000651230704 492725637 /nfs/dbraw/zinc/72/56/37/492725637.db2.gz BULJSGOGFXLECQ-MRXNPFEDSA-N 2 2 359.474 0.703 10 0 FCAELP CC[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CO1 ZINC000657318978 492749062 /nfs/dbraw/zinc/74/90/62/492749062.db2.gz XOCIUECKSCDAQW-JKSUJKDBSA-N 2 2 368.503 0.691 10 0 FCAELP Cn1ncc(C2CCC2)c1C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000657368664 492750106 /nfs/dbraw/zinc/75/01/06/492750106.db2.gz ZXCZFHSBFOVICZ-MRXNPFEDSA-N 2 2 361.490 0.710 10 0 FCAELP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000625356583 492762079 /nfs/dbraw/zinc/76/20/79/492762079.db2.gz LVWNQZSWKLKRPW-QGZVFWFLSA-N 2 2 371.485 0.863 10 0 FCAELP O=C(NC[C@H]1CC[N@H+]1C1CCCC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000625356583 492762082 /nfs/dbraw/zinc/76/20/82/492762082.db2.gz LVWNQZSWKLKRPW-QGZVFWFLSA-N 2 2 371.485 0.863 10 0 FCAELP NS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(F)c1 ZINC000657753504 492790961 /nfs/dbraw/zinc/79/09/61/492790961.db2.gz WYUSTKPDKVKZKY-CQSZACIVSA-N 2 2 357.451 0.816 10 0 FCAELP Cc1cn(C)nc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000657839018 492801048 /nfs/dbraw/zinc/80/10/48/492801048.db2.gz JUVWNPFULMAIAA-OAHLLOKOSA-N 2 2 362.478 0.294 10 0 FCAELP Cc1cn(C)nc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000657839018 492801052 /nfs/dbraw/zinc/80/10/52/492801052.db2.gz JUVWNPFULMAIAA-OAHLLOKOSA-N 2 2 362.478 0.294 10 0 FCAELP CCN1C(=O)CO[C@H](C(=O)NCC[N@H+](C)C(C)C)[C@H]1c1[nH+]ccn1C ZINC000625573239 492824609 /nfs/dbraw/zinc/82/46/09/492824609.db2.gz MIBUGMZVOMXLJG-GJZGRUSLSA-N 2 2 351.451 0.165 10 0 FCAELP CCN1C(=O)CO[C@H](C(=O)NCC[N@@H+](C)C(C)C)[C@H]1c1[nH+]ccn1C ZINC000625573239 492824612 /nfs/dbraw/zinc/82/46/12/492824612.db2.gz MIBUGMZVOMXLJG-GJZGRUSLSA-N 2 2 351.451 0.165 10 0 FCAELP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)C[C@@H]2C[NH+](C)CCO2)C1 ZINC000631784991 492852202 /nfs/dbraw/zinc/85/22/02/492852202.db2.gz JVGBTDYPFWDGTN-TWMKSMIVSA-N 2 2 359.536 0.984 10 0 FCAELP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(S(=O)(=O)C[C@@H]2C[NH+](C)CCO2)C1 ZINC000631784991 492852206 /nfs/dbraw/zinc/85/22/06/492852206.db2.gz JVGBTDYPFWDGTN-TWMKSMIVSA-N 2 2 359.536 0.984 10 0 FCAELP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)C1 ZINC000631784991 492852211 /nfs/dbraw/zinc/85/22/11/492852211.db2.gz JVGBTDYPFWDGTN-TWMKSMIVSA-N 2 2 359.536 0.984 10 0 FCAELP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000631784991 492852213 /nfs/dbraw/zinc/85/22/13/492852213.db2.gz JVGBTDYPFWDGTN-TWMKSMIVSA-N 2 2 359.536 0.984 10 0 FCAELP Cn1cc[nH+]c1[C@@H](NS(=O)(=O)C[C@H]1C[NH2+]CCO1)c1ccc(F)cc1 ZINC000631910263 492876620 /nfs/dbraw/zinc/87/66/20/492876620.db2.gz BXNJJWPEXOASBW-CABCVRRESA-N 2 2 368.434 0.556 10 0 FCAELP CC1CCN(c2ccc(CNS(=O)(=O)C[C@@H]3C[NH2+]CCO3)c[nH+]2)CC1 ZINC000631913357 492878842 /nfs/dbraw/zinc/87/88/42/492878842.db2.gz JJGSREJCUBYIQC-INIZCTEOSA-N 2 2 368.503 0.726 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccnn1-c1ccccc1 ZINC000658427915 492885465 /nfs/dbraw/zinc/88/54/65/492885465.db2.gz FPVZVSQVWUGCEW-UHFFFAOYSA-N 2 2 372.473 0.811 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccnn1-c1ccccc1 ZINC000658427915 492885468 /nfs/dbraw/zinc/88/54/68/492885468.db2.gz FPVZVSQVWUGCEW-UHFFFAOYSA-N 2 2 372.473 0.811 10 0 FCAELP Cc1cc(N(C)C)ccc1NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000658428189 492886541 /nfs/dbraw/zinc/88/65/41/492886541.db2.gz SOCOWLFLTDIWCJ-UHFFFAOYSA-N 2 2 363.506 0.999 10 0 FCAELP Cc1cc(N(C)C)ccc1NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000658428189 492886544 /nfs/dbraw/zinc/88/65/44/492886544.db2.gz SOCOWLFLTDIWCJ-UHFFFAOYSA-N 2 2 363.506 0.999 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)N2CCC(CC[NH3+])CC2)C1=O ZINC000652177537 492890439 /nfs/dbraw/zinc/89/04/39/492890439.db2.gz NKSJRDYGPAOFBO-OAHLLOKOSA-N 2 2 362.478 0.682 10 0 FCAELP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652240278 492897398 /nfs/dbraw/zinc/89/73/98/492897398.db2.gz VUEAOXGSUHZMJL-OAHLLOKOSA-N 2 2 351.495 0.454 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000658458880 492902655 /nfs/dbraw/zinc/90/26/55/492902655.db2.gz BUXFADWHZZFPAR-HNNXBMFYSA-N 2 2 354.495 0.156 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000658458880 492902658 /nfs/dbraw/zinc/90/26/58/492902658.db2.gz BUXFADWHZZFPAR-HNNXBMFYSA-N 2 2 354.495 0.156 10 0 FCAELP [NH3+]C1(CC(=O)N2CC[NH+](CCO)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000638227313 492923677 /nfs/dbraw/zinc/92/36/77/492923677.db2.gz PXZOPEOJRAVYII-UHFFFAOYSA-N 3 2 360.502 0.507 10 0 FCAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCN(C(=O)[C@H]3CCC[N@H+]3C)CC1)CC2 ZINC000626163211 492940235 /nfs/dbraw/zinc/94/02/35/492940235.db2.gz GUOBSXHQHHHHBM-HZPDHXFCSA-N 2 2 359.474 0.519 10 0 FCAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC1)CC2 ZINC000626163211 492940238 /nfs/dbraw/zinc/94/02/38/492940238.db2.gz GUOBSXHQHHHHBM-HZPDHXFCSA-N 2 2 359.474 0.519 10 0 FCAELP C[N@@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3ccccc3C[NH+]3CCOCC3)[C@@H]2C1 ZINC000645626320 492949961 /nfs/dbraw/zinc/94/99/61/492949961.db2.gz YXDWOPABSXBOQD-FUHWJXTLSA-N 2 2 372.469 0.620 10 0 FCAELP C[N@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3ccccc3C[NH+]3CCOCC3)[C@@H]2C1 ZINC000645626320 492949963 /nfs/dbraw/zinc/94/99/63/492949963.db2.gz YXDWOPABSXBOQD-FUHWJXTLSA-N 2 2 372.469 0.620 10 0 FCAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)C[C@H]1C[NH+](C)CCO1 ZINC000632217096 492952748 /nfs/dbraw/zinc/95/27/48/492952748.db2.gz SMRMLUPECSSABP-KBAYOESNSA-N 2 2 367.515 0.757 10 0 FCAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)C[C@H]1C[NH+](C)CCO1 ZINC000632217096 492952750 /nfs/dbraw/zinc/95/27/50/492952750.db2.gz SMRMLUPECSSABP-KBAYOESNSA-N 2 2 367.515 0.757 10 0 FCAELP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632217096 492952752 /nfs/dbraw/zinc/95/27/52/492952752.db2.gz SMRMLUPECSSABP-KBAYOESNSA-N 2 2 367.515 0.757 10 0 FCAELP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632217096 492952754 /nfs/dbraw/zinc/95/27/54/492952754.db2.gz SMRMLUPECSSABP-KBAYOESNSA-N 2 2 367.515 0.757 10 0 FCAELP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CCc3nnc(C4CC4)n3C2)CC1 ZINC000645711744 492965264 /nfs/dbraw/zinc/96/52/64/492965264.db2.gz SNZMLIJIBZQVNI-OAHLLOKOSA-N 2 2 360.506 0.860 10 0 FCAELP C[N@@H+]1CCO[C@H](CS(=O)(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000632290771 492966766 /nfs/dbraw/zinc/96/67/66/492966766.db2.gz LDRPMNRVJJAXNW-ROUUACIJSA-N 2 2 367.515 0.759 10 0 FCAELP C[N@H+]1CCO[C@H](CS(=O)(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000632290771 492966769 /nfs/dbraw/zinc/96/67/69/492966769.db2.gz LDRPMNRVJJAXNW-ROUUACIJSA-N 2 2 367.515 0.759 10 0 FCAELP C[NH+]1CCO[C@H](CS(=O)(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000632290771 492966773 /nfs/dbraw/zinc/96/67/73/492966773.db2.gz LDRPMNRVJJAXNW-ROUUACIJSA-N 2 2 367.515 0.759 10 0 FCAELP C[NH+]1CCO[C@H](CS(=O)(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000632290771 492966776 /nfs/dbraw/zinc/96/67/76/492966776.db2.gz LDRPMNRVJJAXNW-ROUUACIJSA-N 2 2 367.515 0.759 10 0 FCAELP [NH3+]CC1(CCNC(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000652635345 492973987 /nfs/dbraw/zinc/97/39/87/492973987.db2.gz SHTABSRCXNUVMW-UHFFFAOYSA-N 2 2 360.458 0.703 10 0 FCAELP C[C@@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638849746 492981622 /nfs/dbraw/zinc/98/16/22/492981622.db2.gz FSZREAZLLHVKAP-RYRKJORJSA-N 2 2 358.486 0.691 10 0 FCAELP C[C@@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638849746 492981624 /nfs/dbraw/zinc/98/16/24/492981624.db2.gz FSZREAZLLHVKAP-RYRKJORJSA-N 2 2 358.486 0.691 10 0 FCAELP [NH3+]CC1(CCNC(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000652676222 492985751 /nfs/dbraw/zinc/98/57/51/492985751.db2.gz ROQKMXQKFMWZFV-UHFFFAOYSA-N 2 2 359.474 0.933 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1=O ZINC000632394983 492990112 /nfs/dbraw/zinc/99/01/12/492990112.db2.gz DVWXPLGNLAEIRN-OAHLLOKOSA-N 2 2 373.461 0.099 10 0 FCAELP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000652690654 492991283 /nfs/dbraw/zinc/99/12/83/492991283.db2.gz LEZACDCPIIDGGI-CABCVRRESA-N 2 2 362.474 0.248 10 0 FCAELP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000652718975 493000863 /nfs/dbraw/zinc/00/08/63/493000863.db2.gz QSDJUVLCILLXNN-SFHVURJKSA-N 2 2 374.485 0.345 10 0 FCAELP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000652718366 493001317 /nfs/dbraw/zinc/00/13/17/493001317.db2.gz BVCJLTJCZBMPOI-UHFFFAOYSA-N 2 2 367.453 0.766 10 0 FCAELP Cc1[nH+]c2ccccc2n1CCC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652734241 493011671 /nfs/dbraw/zinc/01/16/71/493011671.db2.gz BPEUPBZXQYVHQA-UHFFFAOYSA-N 2 2 357.458 0.967 10 0 FCAELP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)NC1CC[NH+](C3CC3)CC1)CCO2 ZINC000646103600 493012704 /nfs/dbraw/zinc/01/27/04/493012704.db2.gz KQEGHJAYVOIMOG-UHFFFAOYSA-N 3 2 350.507 0.526 10 0 FCAELP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)NC1CC[NH+](C3CC3)CC1)CCO2 ZINC000646103600 493012706 /nfs/dbraw/zinc/01/27/06/493012706.db2.gz KQEGHJAYVOIMOG-UHFFFAOYSA-N 3 2 350.507 0.526 10 0 FCAELP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)NCc1ccc3c(c1)OCO3)CCO2 ZINC000646104830 493013382 /nfs/dbraw/zinc/01/33/82/493013382.db2.gz PBIJZCFFDGJMQF-UHFFFAOYSA-N 2 2 361.442 0.828 10 0 FCAELP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)NCc1ccc3c(c1)OCO3)CCO2 ZINC000646104830 493013386 /nfs/dbraw/zinc/01/33/86/493013386.db2.gz PBIJZCFFDGJMQF-UHFFFAOYSA-N 2 2 361.442 0.828 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@](C(=O)NC)(C(F)(F)F)C2)CC1 ZINC000646108265 493013425 /nfs/dbraw/zinc/01/34/25/493013425.db2.gz CYJXTRVGWUTXKY-IUODEOHRSA-N 2 2 364.412 0.539 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@](C(=O)NC)(C(F)(F)F)C2)CC1 ZINC000646108265 493013430 /nfs/dbraw/zinc/01/34/30/493013430.db2.gz CYJXTRVGWUTXKY-IUODEOHRSA-N 2 2 364.412 0.539 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@](C(=O)NC)(C(F)(F)F)C2)CC1 ZINC000646108268 493013456 /nfs/dbraw/zinc/01/34/56/493013456.db2.gz CYJXTRVGWUTXKY-WFASDCNBSA-N 2 2 364.412 0.539 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@](C(=O)NC)(C(F)(F)F)C2)CC1 ZINC000646108268 493013459 /nfs/dbraw/zinc/01/34/59/493013459.db2.gz CYJXTRVGWUTXKY-WFASDCNBSA-N 2 2 364.412 0.539 10 0 FCAELP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000658783510 493054205 /nfs/dbraw/zinc/05/42/05/493054205.db2.gz MPJFFMNEACWUGD-GOSISDBHSA-N 2 2 358.486 0.392 10 0 FCAELP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000658783510 493054208 /nfs/dbraw/zinc/05/42/08/493054208.db2.gz MPJFFMNEACWUGD-GOSISDBHSA-N 2 2 358.486 0.392 10 0 FCAELP C[NH2+]CCOCCN(C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000626920485 493063756 /nfs/dbraw/zinc/06/37/56/493063756.db2.gz BUROHNMMHQWUKL-SFHVURJKSA-N 2 2 364.490 0.765 10 0 FCAELP C[NH2+]CCOCCN(C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000626920485 493063759 /nfs/dbraw/zinc/06/37/59/493063759.db2.gz BUROHNMMHQWUKL-SFHVURJKSA-N 2 2 364.490 0.765 10 0 FCAELP [NH3+]CC1(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CCOCC1 ZINC000626935916 493067278 /nfs/dbraw/zinc/06/72/78/493067278.db2.gz AIQYYCWDUFCJLL-KRWDZBQOSA-N 2 2 362.474 0.867 10 0 FCAELP C[NH2+]CCOCCN(C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000626936807 493067428 /nfs/dbraw/zinc/06/74/28/493067428.db2.gz LRHDZAUPJRQSJG-GOSISDBHSA-N 2 2 364.490 0.937 10 0 FCAELP CCN(C(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000658826040 493072904 /nfs/dbraw/zinc/07/29/04/493072904.db2.gz MUVMODCRFYGYNF-QGZVFWFLSA-N 2 2 368.522 0.498 10 0 FCAELP CCN(C(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000658826040 493072908 /nfs/dbraw/zinc/07/29/08/493072908.db2.gz MUVMODCRFYGYNF-QGZVFWFLSA-N 2 2 368.522 0.498 10 0 FCAELP C[NH2+]Cc1ccccc1CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000653214063 493083336 /nfs/dbraw/zinc/08/33/36/493083336.db2.gz FGFKZNQOYFPFIA-SFHVURJKSA-N 2 2 374.485 0.203 10 0 FCAELP COCCOCC[NH+]1CCN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000653276266 493087666 /nfs/dbraw/zinc/08/76/66/493087666.db2.gz ZJLRIWGFWZDULY-QGZVFWFLSA-N 2 2 353.438 0.675 10 0 FCAELP O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000627107037 493088207 /nfs/dbraw/zinc/08/82/07/493088207.db2.gz VOUNJXREELADKM-WJFTUGDTSA-N 2 2 373.501 0.970 10 0 FCAELP O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000627107037 493088213 /nfs/dbraw/zinc/08/82/13/493088213.db2.gz VOUNJXREELADKM-WJFTUGDTSA-N 2 2 373.501 0.970 10 0 FCAELP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627118340 493091114 /nfs/dbraw/zinc/09/11/14/493091114.db2.gz YIWPNNLDJPNAHS-QZTJIDSGSA-N 2 2 361.490 0.090 10 0 FCAELP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627118340 493091116 /nfs/dbraw/zinc/09/11/16/493091116.db2.gz YIWPNNLDJPNAHS-QZTJIDSGSA-N 2 2 361.490 0.090 10 0 FCAELP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627118340 493091117 /nfs/dbraw/zinc/09/11/17/493091117.db2.gz YIWPNNLDJPNAHS-QZTJIDSGSA-N 2 2 361.490 0.090 10 0 FCAELP [NH3+]C1(CNC(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)CCOCC1 ZINC000627146710 493096042 /nfs/dbraw/zinc/09/60/42/493096042.db2.gz CMBFYXOUANLADN-INIZCTEOSA-N 2 2 363.462 0.090 10 0 FCAELP [NH3+]C1(CNC(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)CCOCC1 ZINC000627146710 493096046 /nfs/dbraw/zinc/09/60/46/493096046.db2.gz CMBFYXOUANLADN-INIZCTEOSA-N 2 2 363.462 0.090 10 0 FCAELP COc1ncc(Br)cc1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000627156415 493098277 /nfs/dbraw/zinc/09/82/77/493098277.db2.gz ABMGBUXHSYPFRM-GFCCVEGCSA-N 2 2 372.267 0.637 10 0 FCAELP COc1ncc(Br)cc1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000627156415 493098279 /nfs/dbraw/zinc/09/82/79/493098279.db2.gz ABMGBUXHSYPFRM-GFCCVEGCSA-N 2 2 372.267 0.637 10 0 FCAELP C[C@@H]1CC[C@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[NH2+]1 ZINC000627196719 493105907 /nfs/dbraw/zinc/10/59/07/493105907.db2.gz VJYFOQBMXLIHGO-OLZOCXBDSA-N 2 2 358.450 0.335 10 0 FCAELP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NCCOCCC[NH3+])CC1 ZINC000627211817 493107568 /nfs/dbraw/zinc/10/75/68/493107568.db2.gz PGKVOKKNTXOXSJ-MRXNPFEDSA-N 2 2 369.510 0.080 10 0 FCAELP COCC[NH+](CCOC)C1CCN(C(=O)C2([NH+]3CCOCC3)CC2)CC1 ZINC000633049017 493109286 /nfs/dbraw/zinc/10/92/86/493109286.db2.gz NSPUOKATYWDGAJ-UHFFFAOYSA-N 2 2 369.506 0.437 10 0 FCAELP O=C(NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000627224929 493109649 /nfs/dbraw/zinc/10/96/49/493109649.db2.gz QUUANOJOSMJDGS-ROUUACIJSA-N 2 2 359.474 0.818 10 0 FCAELP O=C(NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000627224929 493109656 /nfs/dbraw/zinc/10/96/56/493109656.db2.gz QUUANOJOSMJDGS-ROUUACIJSA-N 2 2 359.474 0.818 10 0 FCAELP [NH3+]CC1(NC(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)CCOCC1 ZINC000627225530 493110236 /nfs/dbraw/zinc/11/02/36/493110236.db2.gz YGIYHCNNZPPZIW-MRXNPFEDSA-N 2 2 363.462 0.090 10 0 FCAELP [NH3+]CC1(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)CCOCC1 ZINC000627225530 493110240 /nfs/dbraw/zinc/11/02/40/493110240.db2.gz YGIYHCNNZPPZIW-MRXNPFEDSA-N 2 2 363.462 0.090 10 0 FCAELP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000633076921 493115871 /nfs/dbraw/zinc/11/58/71/493115871.db2.gz OKYYXKDKLAQMRR-SJLPKXTDSA-N 2 2 358.486 0.692 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C[C@H]1C[NH3+] ZINC000633076868 493115930 /nfs/dbraw/zinc/11/59/30/493115930.db2.gz SYKAVIVOYSLHLC-UKRRQHHQSA-N 2 2 350.488 0.446 10 0 FCAELP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)N3C[C@H]([NH3+])C[C@@H]3C)CC2)s1 ZINC000633116331 493132853 /nfs/dbraw/zinc/13/28/53/493132853.db2.gz RUAAXKTVODPTTK-UONOGXRCSA-N 2 2 364.515 0.903 10 0 FCAELP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000633118018 493133200 /nfs/dbraw/zinc/13/32/00/493133200.db2.gz HMVQYDBXERUCSG-KFWWJZLASA-N 2 2 359.474 0.874 10 0 FCAELP C[C@@H](NC(=O)N1CC[NH+](CCc2cnccn2)CC1)C1=CC[N@H+](C)CC1 ZINC000633158860 493137956 /nfs/dbraw/zinc/13/79/56/493137956.db2.gz ZVYJJAQIGZASSB-MRXNPFEDSA-N 2 2 358.490 0.997 10 0 FCAELP C[C@@H](NC(=O)N1CC[NH+](CCc2cnccn2)CC1)C1=CC[N@@H+](C)CC1 ZINC000633158860 493137962 /nfs/dbraw/zinc/13/79/62/493137962.db2.gz ZVYJJAQIGZASSB-MRXNPFEDSA-N 2 2 358.490 0.997 10 0 FCAELP CCn1cc[nH+]c1CNC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659073139 493140239 /nfs/dbraw/zinc/14/02/39/493140239.db2.gz BKGRTFUWOPKMOP-HNNXBMFYSA-N 2 2 357.414 0.819 10 0 FCAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000627312923 493146899 /nfs/dbraw/zinc/14/68/99/493146899.db2.gz NOGNMISDIHTQDL-XUWVNRHRSA-N 2 2 352.479 0.003 10 0 FCAELP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000659093722 493149135 /nfs/dbraw/zinc/14/91/35/493149135.db2.gz ASLFPSBBAFZQOO-GJZGRUSLSA-N 2 2 362.474 0.960 10 0 FCAELP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000659093722 493149139 /nfs/dbraw/zinc/14/91/39/493149139.db2.gz ASLFPSBBAFZQOO-GJZGRUSLSA-N 2 2 362.474 0.960 10 0 FCAELP Nc1ccc(NC(=O)C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c[nH+]1 ZINC000659093706 493149287 /nfs/dbraw/zinc/14/92/87/493149287.db2.gz ACHUNVUVTGGWCF-INIZCTEOSA-N 2 2 369.425 0.485 10 0 FCAELP Nc1ccc(NC(=O)C(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c[nH+]1 ZINC000659093706 493149292 /nfs/dbraw/zinc/14/92/92/493149292.db2.gz ACHUNVUVTGGWCF-INIZCTEOSA-N 2 2 369.425 0.485 10 0 FCAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000627317194 493149444 /nfs/dbraw/zinc/14/94/44/493149444.db2.gz IFVHJIHUPRBWDP-GLQYFDAESA-N 2 2 359.405 0.631 10 0 FCAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000627317767 493150283 /nfs/dbraw/zinc/15/02/83/493150283.db2.gz XJWMFHRALFWWQE-ARFHVFGLSA-N 2 2 355.442 0.882 10 0 FCAELP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)NCCc1cn3ccccc3[nH+]1)C2 ZINC000627324081 493153097 /nfs/dbraw/zinc/15/30/97/493153097.db2.gz PNSRYKROHQEKOK-KDURUIRLSA-N 2 2 355.442 0.451 10 0 FCAELP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627324499 493154068 /nfs/dbraw/zinc/15/40/68/493154068.db2.gz CRFZFQKQXYRUSM-OAHLLOKOSA-N 2 2 357.458 0.699 10 0 FCAELP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000659108734 493156550 /nfs/dbraw/zinc/15/65/50/493156550.db2.gz VHOZLPKOVAXOGS-MRXNPFEDSA-N 2 2 362.474 0.947 10 0 FCAELP COc1cccc(OCC[NH+]2CCN(C(=O)[C@@H]([NH3+])COC(C)C)CC2)c1 ZINC000659315368 493188233 /nfs/dbraw/zinc/18/82/33/493188233.db2.gz QKCRATNWMQSZSR-SFHVURJKSA-N 2 2 365.474 0.971 10 0 FCAELP CC(C)(C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)[C@@]1(O)CCOC1 ZINC000647340869 493195301 /nfs/dbraw/zinc/19/53/01/493195301.db2.gz PAWGVKWEGYCCLC-LJQANCHMSA-N 2 2 355.523 0.550 10 0 FCAELP CC(C)(C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1)[C@@]1(O)CCOC1 ZINC000647340869 493195308 /nfs/dbraw/zinc/19/53/08/493195308.db2.gz PAWGVKWEGYCCLC-LJQANCHMSA-N 2 2 355.523 0.550 10 0 FCAELP CN(C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000659364710 493198303 /nfs/dbraw/zinc/19/83/03/493198303.db2.gz OLNUQHHBKXVLHJ-SJORKVTESA-N 2 2 364.490 0.005 10 0 FCAELP CN(C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000659364710 493198307 /nfs/dbraw/zinc/19/83/07/493198307.db2.gz OLNUQHHBKXVLHJ-SJORKVTESA-N 2 2 364.490 0.005 10 0 FCAELP Cc1cc(NCCNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)nc(C(C)C)[nH+]1 ZINC000627404998 493205179 /nfs/dbraw/zinc/20/51/79/493205179.db2.gz SBSVLTSUXLAADC-UONOGXRCSA-N 2 2 362.478 0.823 10 0 FCAELP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000672571552 493208587 /nfs/dbraw/zinc/20/85/87/493208587.db2.gz OBRUZOVDPNGLTI-GOEBONIOSA-N 2 2 350.507 0.966 10 0 FCAELP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000672571552 493208590 /nfs/dbraw/zinc/20/85/90/493208590.db2.gz OBRUZOVDPNGLTI-GOEBONIOSA-N 2 2 350.507 0.966 10 0 FCAELP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000659553518 493211683 /nfs/dbraw/zinc/21/16/83/493211683.db2.gz IXJBARKHHSUJLD-QZTJIDSGSA-N 2 2 361.490 0.090 10 0 FCAELP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000659553518 493211686 /nfs/dbraw/zinc/21/16/86/493211686.db2.gz IXJBARKHHSUJLD-QZTJIDSGSA-N 2 2 361.490 0.090 10 0 FCAELP Cc1cc(NCCNC(=O)C(=O)NCCC2(C[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000627423101 493211997 /nfs/dbraw/zinc/21/19/97/493211997.db2.gz DKRNHLGPYHSUNX-UHFFFAOYSA-N 2 2 362.478 0.682 10 0 FCAELP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000659626196 493221798 /nfs/dbraw/zinc/22/17/98/493221798.db2.gz GIRRQOXKKOXFIG-QZTJIDSGSA-N 2 2 361.490 0.172 10 0 FCAELP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000659626196 493221802 /nfs/dbraw/zinc/22/18/02/493221802.db2.gz GIRRQOXKKOXFIG-QZTJIDSGSA-N 2 2 361.490 0.172 10 0 FCAELP Cc1cccn2cc(CCNC(=O)C(=O)N(C)[C@H]3CC[N@@H+](C4CC4)C3)[nH+]c12 ZINC000672761624 493245739 /nfs/dbraw/zinc/24/57/39/493245739.db2.gz GBQWULMDMDPPHU-KRWDZBQOSA-N 2 2 369.469 0.997 10 0 FCAELP Cc1cccn2cc(CCNC(=O)C(=O)N(C)[C@H]3CC[N@H+](C4CC4)C3)[nH+]c12 ZINC000672761624 493245743 /nfs/dbraw/zinc/24/57/43/493245743.db2.gz GBQWULMDMDPPHU-KRWDZBQOSA-N 2 2 369.469 0.997 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC3CC3)C1)CC2 ZINC000660771887 493378861 /nfs/dbraw/zinc/37/88/61/493378861.db2.gz AAHNAESGHQPNCR-INIZCTEOSA-N 2 2 359.474 0.724 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC3CC3)C1)CC2 ZINC000660771887 493378864 /nfs/dbraw/zinc/37/88/64/493378864.db2.gz AAHNAESGHQPNCR-INIZCTEOSA-N 2 2 359.474 0.724 10 0 FCAELP CN(C(=O)c1ccnc2c1CC(=O)N2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668616919 493384891 /nfs/dbraw/zinc/38/48/91/493384891.db2.gz HKPQPBNGUDZBMY-CQSZACIVSA-N 2 2 357.458 0.817 10 0 FCAELP CN(C(=O)c1ccnc2c1CC(=O)N2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668616919 493384893 /nfs/dbraw/zinc/38/48/93/493384893.db2.gz HKPQPBNGUDZBMY-CQSZACIVSA-N 2 2 357.458 0.817 10 0 FCAELP CC(C)(C(N)=O)[NH+]1CCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000674317747 493407253 /nfs/dbraw/zinc/40/72/53/493407253.db2.gz NYEYUBJXEUIFNL-UHFFFAOYSA-N 2 2 357.418 0.681 10 0 FCAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661143808 493411518 /nfs/dbraw/zinc/41/15/18/493411518.db2.gz WGONZPVRWBEFMG-DLBZAZTESA-N 2 2 369.473 0.732 10 0 FCAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661143808 493411521 /nfs/dbraw/zinc/41/15/21/493411521.db2.gz WGONZPVRWBEFMG-DLBZAZTESA-N 2 2 369.473 0.732 10 0 FCAELP COC[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1)C1CCOCC1 ZINC000661159206 493413931 /nfs/dbraw/zinc/41/39/31/493413931.db2.gz SFQWQVTUBBVICN-SFHVURJKSA-N 2 2 365.474 0.955 10 0 FCAELP CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000661214799 493419059 /nfs/dbraw/zinc/41/90/59/493419059.db2.gz BFIHTCZAUXRJCC-BRWVUGGUSA-N 2 2 371.522 0.369 10 0 FCAELP Cc1nccnc1N1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000685040843 493444529 /nfs/dbraw/zinc/44/45/29/493444529.db2.gz QQFUZDGOYJTTLC-UHFFFAOYSA-N 2 2 358.490 0.650 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+]C2(C(N)=O)CCOCC2)CC1 ZINC000661594079 493448959 /nfs/dbraw/zinc/44/89/59/493448959.db2.gz HCFQKVABVDJCCA-MRXNPFEDSA-N 2 2 374.485 0.516 10 0 FCAELP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CCO1 ZINC000669020332 493452426 /nfs/dbraw/zinc/45/24/26/493452426.db2.gz XRMCQCJQWMHDDA-INIZCTEOSA-N 2 2 373.457 0.520 10 0 FCAELP O=C(NC1CC([NH+]2CCCCC2)C1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000669122868 493465132 /nfs/dbraw/zinc/46/51/32/493465132.db2.gz YQGFSUFZYPBNAA-AQFXKWCLSA-N 2 2 364.490 0.053 10 0 FCAELP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000675088145 493466444 /nfs/dbraw/zinc/46/64/44/493466444.db2.gz OLWBMAHLTFVIIU-UHFFFAOYSA-N 2 2 366.506 0.299 10 0 FCAELP O=C(C[NH+]1CCN(C[C@@H]2C[NH2+]CCO2)CC1)N1CCCc2ccccc21 ZINC000662262864 493501288 /nfs/dbraw/zinc/50/12/88/493501288.db2.gz JXRRPHYFVLWOOX-SFHVURJKSA-N 2 2 358.486 0.572 10 0 FCAELP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000685533945 493502053 /nfs/dbraw/zinc/50/20/53/493502053.db2.gz KMNCFBKFORDHNF-OAHLLOKOSA-N 2 2 356.511 0.402 10 0 FCAELP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000685533945 493502055 /nfs/dbraw/zinc/50/20/55/493502055.db2.gz KMNCFBKFORDHNF-OAHLLOKOSA-N 2 2 356.511 0.402 10 0 FCAELP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319813 493506165 /nfs/dbraw/zinc/50/61/65/493506165.db2.gz MTLGLKZRITVXRH-ZBFHGGJFSA-N 2 2 354.495 0.155 10 0 FCAELP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319813 493506166 /nfs/dbraw/zinc/50/61/66/493506166.db2.gz MTLGLKZRITVXRH-ZBFHGGJFSA-N 2 2 354.495 0.155 10 0 FCAELP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000669479401 493506680 /nfs/dbraw/zinc/50/66/80/493506680.db2.gz ULDAHRIIZKAGDE-RDJZCZTQSA-N 2 2 365.522 0.842 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCN(C(=O)c2cc3c(s2)CC[NH2+]C3)CC1 ZINC000662502604 493521703 /nfs/dbraw/zinc/52/17/03/493521703.db2.gz XRUUYUBBPAFVPC-UHFFFAOYSA-N 2 2 350.488 0.630 10 0 FCAELP C[NH+](C)CCn1cc(NC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)cn1 ZINC000676090264 493522553 /nfs/dbraw/zinc/52/25/53/493522553.db2.gz OJVJKBNXVJQSSC-UHFFFAOYSA-N 2 2 369.429 0.390 10 0 FCAELP [NH3+]C[C@H]1CCCc2ccc(C(=O)NCC(=O)NCC[NH+]3CCOCC3)cc21 ZINC000662527111 493523714 /nfs/dbraw/zinc/52/37/14/493523714.db2.gz QEGAJAVQOXOHGC-QGZVFWFLSA-N 2 2 374.485 0.243 10 0 FCAELP C[C@@H](CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)C[NH+]1CCOCC1 ZINC000676096021 493523861 /nfs/dbraw/zinc/52/38/61/493523861.db2.gz OFUQYOKMPZPPIO-AWEZNQCLSA-N 2 2 372.429 0.290 10 0 FCAELP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)cn1 ZINC000676098458 493524348 /nfs/dbraw/zinc/52/43/48/493524348.db2.gz MIUVFNMDLYPMEE-UHFFFAOYSA-N 2 2 359.434 0.443 10 0 FCAELP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cn1 ZINC000676098644 493524369 /nfs/dbraw/zinc/52/43/69/493524369.db2.gz TZAXQCUBUFJBPK-OAHLLOKOSA-N 2 2 359.434 0.443 10 0 FCAELP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000662705784 493533356 /nfs/dbraw/zinc/53/33/56/493533356.db2.gz UPUUOYUXYINMFZ-SLUKUZTOSA-N 2 2 361.486 0.561 10 0 FCAELP CC(C)OC[C@H]([NH3+])C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000662786115 493542031 /nfs/dbraw/zinc/54/20/31/493542031.db2.gz PBVNIERCKUONQJ-SFHVURJKSA-N 2 2 364.490 0.885 10 0 FCAELP CN(C(=O)COC1CCC([NH3+])CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900190 493550119 /nfs/dbraw/zinc/55/01/19/493550119.db2.gz KFNHKXHQUHDSHO-NXYGQSRBSA-N 3 2 352.523 0.900 10 0 FCAELP CN(C(=O)COC1CCC([NH3+])CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900190 493550120 /nfs/dbraw/zinc/55/01/20/493550120.db2.gz KFNHKXHQUHDSHO-NXYGQSRBSA-N 3 2 352.523 0.900 10 0 FCAELP CCC(CC)[C@H](C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)[NH+]1CCOCC1 ZINC000670406608 493561903 /nfs/dbraw/zinc/56/19/03/493561903.db2.gz YBQQDIAHOLXQDC-ZWKOTPCHSA-N 2 2 352.523 0.630 10 0 FCAELP CCC(CC)[C@H](C(=O)NC[C@H]1C[N@H+]2CCN1CCC2)[NH+]1CCOCC1 ZINC000670406608 493561905 /nfs/dbraw/zinc/56/19/05/493561905.db2.gz YBQQDIAHOLXQDC-ZWKOTPCHSA-N 2 2 352.523 0.630 10 0 FCAELP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C[C@H]1Cc1ccccc1 ZINC000662989209 493565242 /nfs/dbraw/zinc/56/52/42/493565242.db2.gz BTVZZZVOFZDISD-BRWVUGGUSA-N 2 2 362.449 0.269 10 0 FCAELP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C[C@H]1Cc1ccccc1 ZINC000662989209 493565243 /nfs/dbraw/zinc/56/52/43/493565243.db2.gz BTVZZZVOFZDISD-BRWVUGGUSA-N 2 2 362.449 0.269 10 0 FCAELP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000670815056 493599515 /nfs/dbraw/zinc/59/95/15/493599515.db2.gz KQKUUTVCQSZRII-MRXNPFEDSA-N 2 2 359.474 0.899 10 0 FCAELP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000670815056 493599517 /nfs/dbraw/zinc/59/95/17/493599517.db2.gz KQKUUTVCQSZRII-MRXNPFEDSA-N 2 2 359.474 0.899 10 0 FCAELP Cn1cc[nH+]c1[C@H](NC(=O)NCCCC[NH+]1CCOCC1)C(C)(C)CO ZINC000663655983 493609977 /nfs/dbraw/zinc/60/99/77/493609977.db2.gz YKSHOALLBIWXTR-HNNXBMFYSA-N 2 2 367.494 0.891 10 0 FCAELP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000670907752 493610697 /nfs/dbraw/zinc/61/06/97/493610697.db2.gz XTLNFPKZATZRQW-KRWDZBQOSA-N 2 2 355.442 0.758 10 0 FCAELP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000670907752 493610700 /nfs/dbraw/zinc/61/07/00/493610700.db2.gz XTLNFPKZATZRQW-KRWDZBQOSA-N 2 2 355.442 0.758 10 0 FCAELP C[C@H]([C@H](C)NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[NH+]1CCOCC1 ZINC000664006629 493630181 /nfs/dbraw/zinc/63/01/81/493630181.db2.gz JPEGYXRHGSOMFY-GVDBMIGSSA-N 2 2 356.511 0.848 10 0 FCAELP CN(C)C(=O)C1(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)CCCC1 ZINC000664111191 493637233 /nfs/dbraw/zinc/63/72/33/493637233.db2.gz DRSRCMMSOPSCHT-UHFFFAOYSA-N 2 2 355.527 0.818 10 0 FCAELP CN(C)C(=O)C1(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCCC1 ZINC000664111191 493637235 /nfs/dbraw/zinc/63/72/35/493637235.db2.gz DRSRCMMSOPSCHT-UHFFFAOYSA-N 2 2 355.527 0.818 10 0 FCAELP C[C@@H](O)[C@H]1CCN(c2cc(NCC[N@H+](C)CCC[NH+](C)C)nc[nH+]2)C1 ZINC000664245266 493647319 /nfs/dbraw/zinc/64/73/19/493647319.db2.gz OGVJSKNSGUNSSX-CVEARBPZSA-N 3 2 350.511 0.979 10 0 FCAELP C[C@@H](O)[C@H]1CCN(c2cc(NCC[N@@H+](C)CCC[NH+](C)C)nc[nH+]2)C1 ZINC000664245266 493647322 /nfs/dbraw/zinc/64/73/22/493647322.db2.gz OGVJSKNSGUNSSX-CVEARBPZSA-N 3 2 350.511 0.979 10 0 FCAELP C[C@@H](O)[C@H]1CCN(c2cc(NCC[N@H+](C)CCC[NH+](C)C)ncn2)C1 ZINC000664245266 493647324 /nfs/dbraw/zinc/64/73/24/493647324.db2.gz OGVJSKNSGUNSSX-CVEARBPZSA-N 2 2 350.511 0.979 10 0 FCAELP C[C@@H](O)[C@H]1CCN(c2cc(NCC[N@@H+](C)CCC[NH+](C)C)ncn2)C1 ZINC000664245266 493647326 /nfs/dbraw/zinc/64/73/26/493647326.db2.gz OGVJSKNSGUNSSX-CVEARBPZSA-N 2 2 350.511 0.979 10 0 FCAELP CO[C@@H]1CCC[C@H]([C@@H](CO)NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000664537865 493666783 /nfs/dbraw/zinc/66/67/83/493666783.db2.gz RSRSFTNTPBBNLK-CGTJXYLNSA-N 2 2 370.538 0.878 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679500637 493682812 /nfs/dbraw/zinc/68/28/12/493682812.db2.gz RRRMWDVLMFHOGX-UHFFFAOYSA-N 2 2 365.397 0.983 10 0 FCAELP CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)[C@H]2C1 ZINC000664915792 493689808 /nfs/dbraw/zinc/68/98/08/493689808.db2.gz LVDHLNORFIKOOT-OKZBNKHCSA-N 2 2 367.538 0.816 10 0 FCAELP CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)[C@H]2C1 ZINC000664915792 493689809 /nfs/dbraw/zinc/68/98/09/493689809.db2.gz LVDHLNORFIKOOT-OKZBNKHCSA-N 2 2 367.538 0.816 10 0 FCAELP CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)[C@@H]2C1 ZINC000664915793 493689924 /nfs/dbraw/zinc/68/99/24/493689924.db2.gz LVDHLNORFIKOOT-RCCFBDPRSA-N 2 2 367.538 0.816 10 0 FCAELP CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)[C@@H]2C1 ZINC000664915793 493689925 /nfs/dbraw/zinc/68/99/25/493689925.db2.gz LVDHLNORFIKOOT-RCCFBDPRSA-N 2 2 367.538 0.816 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1=O ZINC000679946867 493702679 /nfs/dbraw/zinc/70/26/79/493702679.db2.gz VBTASTSKENWWPR-HZPDHXFCSA-N 2 2 374.489 0.695 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1=O ZINC000679946867 493702681 /nfs/dbraw/zinc/70/26/81/493702681.db2.gz VBTASTSKENWWPR-HZPDHXFCSA-N 2 2 374.489 0.695 10 0 FCAELP COC[C@@H](CCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)OC ZINC000665516661 493720259 /nfs/dbraw/zinc/72/02/59/493720259.db2.gz RDTMSFPEOPAWEQ-IAGOWNOFSA-N 2 2 356.511 0.848 10 0 FCAELP COC[C@@H](CCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)OC ZINC000665516661 493720261 /nfs/dbraw/zinc/72/02/61/493720261.db2.gz RDTMSFPEOPAWEQ-IAGOWNOFSA-N 2 2 356.511 0.848 10 0 FCAELP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000672164645 493739291 /nfs/dbraw/zinc/73/92/91/493739291.db2.gz XMXYBECRXODGCZ-WMZOPIPTSA-N 2 2 374.485 0.516 10 0 FCAELP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000672164645 493739294 /nfs/dbraw/zinc/73/92/94/493739294.db2.gz XMXYBECRXODGCZ-WMZOPIPTSA-N 2 2 374.485 0.516 10 0 FCAELP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000672164645 493739296 /nfs/dbraw/zinc/73/92/96/493739296.db2.gz XMXYBECRXODGCZ-WMZOPIPTSA-N 2 2 374.485 0.516 10 0 FCAELP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000672164645 493739297 /nfs/dbraw/zinc/73/92/97/493739297.db2.gz XMXYBECRXODGCZ-WMZOPIPTSA-N 2 2 374.485 0.516 10 0 FCAELP Cc1ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1S(N)(=O)=O ZINC000666113519 493756770 /nfs/dbraw/zinc/75/67/70/493756770.db2.gz QFGFRPIDIXFNRY-UHFFFAOYSA-N 2 2 371.507 0.647 10 0 FCAELP Cc1ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1S(N)(=O)=O ZINC000666113519 493756772 /nfs/dbraw/zinc/75/67/72/493756772.db2.gz QFGFRPIDIXFNRY-UHFFFAOYSA-N 2 2 371.507 0.647 10 0 FCAELP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000410496290 527957083 /nfs/dbraw/zinc/95/70/83/527957083.db2.gz FAIOCZLLDQIKTN-KRWDZBQOSA-N 2 2 366.506 0.251 10 0 FCAELP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000410496290 527957087 /nfs/dbraw/zinc/95/70/87/527957087.db2.gz FAIOCZLLDQIKTN-KRWDZBQOSA-N 2 2 366.506 0.251 10 0 FCAELP CC(C)C[C@@H](C(N)=O)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000412220438 528233642 /nfs/dbraw/zinc/23/36/42/528233642.db2.gz VLBMISWLCOCRIC-WFVVYAPDSA-N 2 2 350.507 0.903 10 0 FCAELP CC(C)C[C@@H](C(N)=O)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000412220438 528233645 /nfs/dbraw/zinc/23/36/45/528233645.db2.gz VLBMISWLCOCRIC-WFVVYAPDSA-N 2 2 350.507 0.903 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](c3nnc[nH]3)C2)C1 ZINC000425552351 535110047 /nfs/dbraw/zinc/11/00/47/535110047.db2.gz RJRAAEAZWVLRIH-GJZGRUSLSA-N 2 2 350.467 0.067 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](c3nnc[nH]3)C2)C1 ZINC000425552351 535110050 /nfs/dbraw/zinc/11/00/50/535110050.db2.gz RJRAAEAZWVLRIH-GJZGRUSLSA-N 2 2 350.467 0.067 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@H](c3nnc[nH]3)C2)C1 ZINC000425552351 535110053 /nfs/dbraw/zinc/11/00/53/535110053.db2.gz RJRAAEAZWVLRIH-GJZGRUSLSA-N 2 2 350.467 0.067 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@H](c3nnc[nH]3)C2)C1 ZINC000425552351 535110061 /nfs/dbraw/zinc/11/00/61/535110061.db2.gz RJRAAEAZWVLRIH-GJZGRUSLSA-N 2 2 350.467 0.067 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](c3nnc[nH]3)C2)C1 ZINC000425552354 535119350 /nfs/dbraw/zinc/11/93/50/535119350.db2.gz RJRAAEAZWVLRIH-LSDHHAIUSA-N 2 2 350.467 0.067 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](c3nnc[nH]3)C2)C1 ZINC000425552354 535119355 /nfs/dbraw/zinc/11/93/55/535119355.db2.gz RJRAAEAZWVLRIH-LSDHHAIUSA-N 2 2 350.467 0.067 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H](c3nnc[nH]3)C2)C1 ZINC000425552354 535119360 /nfs/dbraw/zinc/11/93/60/535119360.db2.gz RJRAAEAZWVLRIH-LSDHHAIUSA-N 2 2 350.467 0.067 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H](c3nnc[nH]3)C2)C1 ZINC000425552354 535119364 /nfs/dbraw/zinc/11/93/64/535119364.db2.gz RJRAAEAZWVLRIH-LSDHHAIUSA-N 2 2 350.467 0.067 10 0 FCAELP CCSCC[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000438084407 535686551 /nfs/dbraw/zinc/68/65/51/535686551.db2.gz YSYCZZQPWGBQTF-UHFFFAOYSA-N 2 2 358.533 0.876 10 0 FCAELP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)NC(=O)NCc1cccs1)CCO2 ZINC000592181119 546618926 /nfs/dbraw/zinc/61/89/26/546618926.db2.gz CQPXTQSIRKSZIJ-UHFFFAOYSA-N 2 2 366.487 0.871 10 0 FCAELP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)NC(=O)NCc1cccs1)CCO2 ZINC000592181119 546618930 /nfs/dbraw/zinc/61/89/30/546618930.db2.gz CQPXTQSIRKSZIJ-UHFFFAOYSA-N 2 2 366.487 0.871 10 0 FCAELP COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000594820341 546834803 /nfs/dbraw/zinc/83/48/03/546834803.db2.gz CBJCAZXMOONUKH-GJZGRUSLSA-N 2 2 363.524 0.521 10 0 FCAELP COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000594820341 546834805 /nfs/dbraw/zinc/83/48/05/546834805.db2.gz CBJCAZXMOONUKH-GJZGRUSLSA-N 2 2 363.524 0.521 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSC[C@H]2C[NH+](C)CCO2)C1 ZINC000583084026 546904103 /nfs/dbraw/zinc/90/41/03/546904103.db2.gz RRIODVHUZWIEJR-HZPDHXFCSA-N 2 2 359.536 0.523 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CSC[C@H]2C[NH+](C)CCO2)C1 ZINC000583084026 546904105 /nfs/dbraw/zinc/90/41/05/546904105.db2.gz RRIODVHUZWIEJR-HZPDHXFCSA-N 2 2 359.536 0.523 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)CSC[C@H]2C[N@H+](C)CCO2)C1 ZINC000583084026 546904107 /nfs/dbraw/zinc/90/41/07/546904107.db2.gz RRIODVHUZWIEJR-HZPDHXFCSA-N 2 2 359.536 0.523 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)CSC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000583084026 546904109 /nfs/dbraw/zinc/90/41/09/546904109.db2.gz RRIODVHUZWIEJR-HZPDHXFCSA-N 2 2 359.536 0.523 10 0 FCAELP COCC[NH+](CCOC)C1CCN(c2nc(C)[nH+]c(N(C)C)n2)CC1 ZINC000553301681 547268788 /nfs/dbraw/zinc/26/87/88/547268788.db2.gz XONNCUMDSZRSQM-UHFFFAOYSA-N 2 2 352.483 0.810 10 0 FCAELP COCC[NH+](CCOC)C1CCN(c2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC000553301681 547268793 /nfs/dbraw/zinc/26/87/93/547268793.db2.gz XONNCUMDSZRSQM-UHFFFAOYSA-N 2 2 352.483 0.810 10 0 FCAELP COC[C@]1(C)NC(=O)N(CC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1=O ZINC000925328641 665840395 /nfs/dbraw/zinc/84/03/95/665840395.db2.gz ZZSBJLVCNBMRSM-KRWDZBQOSA-N 2 2 352.479 0.894 10 0 FCAELP C[C@@H]([NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)(C)CO ZINC000924722910 665869960 /nfs/dbraw/zinc/86/99/60/665869960.db2.gz INVPHHMFJSKZCJ-OAHLLOKOSA-N 2 2 370.519 0.530 10 0 FCAELP C[C@H]([NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)(C)CO ZINC000924722897 665869982 /nfs/dbraw/zinc/86/99/82/665869982.db2.gz INVPHHMFJSKZCJ-HNNXBMFYSA-N 2 2 370.519 0.530 10 0 FCAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(CS(=O)(=O)N(C)C)cc1 ZINC000925805334 664823597 /nfs/dbraw/zinc/82/35/97/664823597.db2.gz SMMPDYXKCACVRO-RHSMWYFYSA-N 2 2 355.504 0.935 10 0 FCAELP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C2C[NH+]([C@@H]3CCOC3)C2)C[C@H](C)O1 ZINC000895875307 665061930 /nfs/dbraw/zinc/06/19/30/665061930.db2.gz LWLOHJUZXLOHRY-CIRFHOKZSA-N 2 2 351.491 0.807 10 0 FCAELP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C2C[NH+]([C@@H]3CCOC3)C2)C[C@H](C)O1 ZINC000895875307 665061932 /nfs/dbraw/zinc/06/19/32/665061932.db2.gz LWLOHJUZXLOHRY-CIRFHOKZSA-N 2 2 351.491 0.807 10 0 FCAELP C[C@H]1CCCC[N@@H+]1CCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000069034781 666494266 /nfs/dbraw/zinc/49/42/66/666494266.db2.gz RFQUFMJUQPGPHZ-HNNXBMFYSA-N 2 2 374.551 0.669 10 0 FCAELP C[C@H]1CCCC[N@H+]1CCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000069034781 666494267 /nfs/dbraw/zinc/49/42/67/666494267.db2.gz RFQUFMJUQPGPHZ-HNNXBMFYSA-N 2 2 374.551 0.669 10 0 FCAELP O=C1C[C@H]([NH2+][C@H](C2CC2)C2CCOCC2)CN1CC[NH+]1CCOCC1 ZINC000925450902 667116588 /nfs/dbraw/zinc/11/65/88/667116588.db2.gz RUHAHJADQXILHY-PKOBYXMFSA-N 2 2 351.491 0.714 10 0 FCAELP COC(=O)CC1CC(NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000918913514 667140993 /nfs/dbraw/zinc/14/09/93/667140993.db2.gz MKUMFCFBXSKKTE-SLTAFYQDSA-N 2 2 352.479 0.796 10 0 FCAELP COC(=O)CC1CC(NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000918913514 667140994 /nfs/dbraw/zinc/14/09/94/667140994.db2.gz MKUMFCFBXSKKTE-SLTAFYQDSA-N 2 2 352.479 0.796 10 0 FCAELP C[NH+]1CCN(CCCCNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000919500270 667180737 /nfs/dbraw/zinc/18/07/37/667180737.db2.gz ARSQFLSSZUPAQG-IAGOWNOFSA-N 2 2 369.579 0.893 10 0 FCAELP C[NH+]1CCN(CCCCNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000919500270 667180740 /nfs/dbraw/zinc/18/07/40/667180740.db2.gz ARSQFLSSZUPAQG-IAGOWNOFSA-N 2 2 369.579 0.893 10 0 FCAELP CCOC1CC(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)([NH+]2CCOCC2)C1 ZINC000922212146 667618842 /nfs/dbraw/zinc/61/88/42/667618842.db2.gz CKYGETGATLORFN-UERKLNTKSA-N 2 2 354.495 0.648 10 0 FCAELP CCOC1CC(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)([NH+]2CCOCC2)C1 ZINC000922212146 667618845 /nfs/dbraw/zinc/61/88/45/667618845.db2.gz CKYGETGATLORFN-UERKLNTKSA-N 2 2 354.495 0.648 10 0 FCAELP O=S(=O)(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)C1C[NH2+]C1 ZINC000923591798 667854123 /nfs/dbraw/zinc/85/41/23/667854123.db2.gz KKMSYJHANCPZNQ-UHFFFAOYSA-N 2 2 366.531 0.476 10 0 FCAELP CS(=O)(=O)CC[NH+]1CCC(Nc2nc(N)[nH+]c3c2CCCC3)CC1 ZINC000825733236 669467307 /nfs/dbraw/zinc/46/73/07/669467307.db2.gz XPDVDKAZDHWURG-UHFFFAOYSA-N 2 2 353.492 0.859 10 0 FCAELP CN(C(=O)N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000842006129 670624786 /nfs/dbraw/zinc/62/47/86/670624786.db2.gz VNGWZFGHHGGIHD-HUUCEWRRSA-N 3 2 359.465 0.794 10 0 FCAELP CN(C(=O)N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000842006129 670624789 /nfs/dbraw/zinc/62/47/89/670624789.db2.gz VNGWZFGHHGGIHD-HUUCEWRRSA-N 3 2 359.465 0.794 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000803493417 675931082 /nfs/dbraw/zinc/93/10/82/675931082.db2.gz MOXWESLCPUPZFW-WBVHZDCISA-N 2 2 357.495 0.589 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000803493417 675931083 /nfs/dbraw/zinc/93/10/83/675931083.db2.gz MOXWESLCPUPZFW-WBVHZDCISA-N 2 2 357.495 0.589 10 0 FCAELP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903757462 675968674 /nfs/dbraw/zinc/96/86/74/675968674.db2.gz XYQOYJYXVXSRKQ-RYUDHWBXSA-N 2 2 361.368 0.470 10 0 FCAELP CCN(C1CC[NH+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1)S(C)(=O)=O ZINC000903904218 675981089 /nfs/dbraw/zinc/98/10/89/675981089.db2.gz RVZFEJFEWDOBIF-OAHLLOKOSA-N 2 2 370.523 0.449 10 0 FCAELP CC/C=C(\F)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000865192830 672231984 /nfs/dbraw/zinc/23/19/84/672231984.db2.gz FVEJXNLQCNNVAE-BNCCVWRVSA-N 2 2 354.470 0.947 10 0 FCAELP C[C@H](NC(=O)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1cccs1 ZINC000866710491 672290871 /nfs/dbraw/zinc/29/08/71/672290871.db2.gz YOSKVRJKDVADBQ-FQUUOJAGSA-N 2 2 364.471 0.792 10 0 FCAELP C[C@H](NC(=O)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1cccs1 ZINC000866710491 672290876 /nfs/dbraw/zinc/29/08/76/672290876.db2.gz YOSKVRJKDVADBQ-FQUUOJAGSA-N 2 2 364.471 0.792 10 0 FCAELP O=S(=O)(NCc1cc[nH+]c(N2CCSCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000923667622 673044764 /nfs/dbraw/zinc/04/47/64/673044764.db2.gz OCHPERYVIHEMPF-CQSZACIVSA-N 2 2 356.517 0.806 10 0 FCAELP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000924774356 673763819 /nfs/dbraw/zinc/76/38/19/673763819.db2.gz ZXHPDAGAQZWEKE-UHFFFAOYSA-N 3 2 356.540 0.840 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)n1 ZINC000924780977 673764088 /nfs/dbraw/zinc/76/40/88/673764088.db2.gz ATLVGRXTKCFEON-CYBMUJFWSA-N 2 2 355.508 0.851 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)n1 ZINC000924780977 673764089 /nfs/dbraw/zinc/76/40/89/673764089.db2.gz ATLVGRXTKCFEON-CYBMUJFWSA-N 2 2 355.508 0.851 10 0 FCAELP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000925612052 673796961 /nfs/dbraw/zinc/79/69/61/673796961.db2.gz HQHPLMBPPDLBSA-DLBZAZTESA-N 2 2 356.511 0.849 10 0 FCAELP CN(C)S(=O)(=O)Cc1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000925805102 673804686 /nfs/dbraw/zinc/80/46/86/673804686.db2.gz QVQMVZOIHWBNMQ-QZTJIDSGSA-N 2 2 367.515 0.935 10 0 FCAELP C[C@@H]1CN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC[C@@H]1C[NH3+] ZINC000926050908 673809714 /nfs/dbraw/zinc/80/97/14/673809714.db2.gz PTFMASKJSRQHLL-HUUCEWRRSA-N 2 2 350.467 0.664 10 0 FCAELP Cn1nc([C@H]2CCCOC2)cc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000926107999 673811570 /nfs/dbraw/zinc/81/15/70/673811570.db2.gz HIPGEXDUJUPELY-ZDUSSCGKSA-N 2 2 350.467 0.859 10 0 FCAELP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000929865158 673981140 /nfs/dbraw/zinc/98/11/40/673981140.db2.gz KUQYCGWDNKUTLQ-KBPBESRZSA-N 2 2 351.476 0.004 10 0 FCAELP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000929865158 673981141 /nfs/dbraw/zinc/98/11/41/673981141.db2.gz KUQYCGWDNKUTLQ-KBPBESRZSA-N 2 2 351.476 0.004 10 0 FCAELP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000930174751 674003819 /nfs/dbraw/zinc/00/38/19/674003819.db2.gz OVLCVUKEMCCCMM-RBSFLKMASA-N 2 2 368.547 0.671 10 0 FCAELP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000930174751 674003821 /nfs/dbraw/zinc/00/38/21/674003821.db2.gz OVLCVUKEMCCCMM-RBSFLKMASA-N 2 2 368.547 0.671 10 0 FCAELP C[N@@H+]1CCC[C@](O)(CC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000900559905 675694875 /nfs/dbraw/zinc/69/48/75/675694875.db2.gz DNYLQKOISYMKGQ-KRWDZBQOSA-N 2 2 351.451 0.001 10 0 FCAELP C[N@H+]1CCC[C@](O)(CC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000900559905 675694876 /nfs/dbraw/zinc/69/48/76/675694876.db2.gz DNYLQKOISYMKGQ-KRWDZBQOSA-N 2 2 351.451 0.001 10 0 FCAELP CN(C(=O)C[C@@]1(O)CCC[NH+](C)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900670707 675705852 /nfs/dbraw/zinc/70/58/52/675705852.db2.gz UAEUNAOOCPIKLS-MJGOQNOKSA-N 3 2 352.523 0.460 10 0 FCAELP CN(C(=O)C[C@@]1(O)CCC[NH+](C)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900670707 675705854 /nfs/dbraw/zinc/70/58/54/675705854.db2.gz UAEUNAOOCPIKLS-MJGOQNOKSA-N 3 2 352.523 0.460 10 0 FCAELP CN(C(=O)C[C@@]1(O)CCC[N@H+](C)C1)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000900670707 675705857 /nfs/dbraw/zinc/70/58/57/675705857.db2.gz UAEUNAOOCPIKLS-MJGOQNOKSA-N 3 2 352.523 0.460 10 0 FCAELP CN(C(=O)C[C@@]1(O)CCC[N@@H+](C)C1)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000900670707 675705859 /nfs/dbraw/zinc/70/58/59/675705859.db2.gz UAEUNAOOCPIKLS-MJGOQNOKSA-N 3 2 352.523 0.460 10 0 FCAELP CN(C(=O)C[C@]1(O)CCC[NH+](C)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900670706 675705955 /nfs/dbraw/zinc/70/59/55/675705955.db2.gz UAEUNAOOCPIKLS-IEBWSBKVSA-N 3 2 352.523 0.460 10 0 FCAELP CN(C(=O)C[C@]1(O)CCC[NH+](C)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900670706 675705956 /nfs/dbraw/zinc/70/59/56/675705956.db2.gz UAEUNAOOCPIKLS-IEBWSBKVSA-N 3 2 352.523 0.460 10 0 FCAELP CN(C(=O)C[C@]1(O)CCC[N@H+](C)C1)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000900670706 675705959 /nfs/dbraw/zinc/70/59/59/675705959.db2.gz UAEUNAOOCPIKLS-IEBWSBKVSA-N 3 2 352.523 0.460 10 0 FCAELP CN(C(=O)C[C@]1(O)CCC[N@@H+](C)C1)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000900670706 675705961 /nfs/dbraw/zinc/70/59/61/675705961.db2.gz UAEUNAOOCPIKLS-IEBWSBKVSA-N 3 2 352.523 0.460 10 0 FCAELP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000900683697 675706962 /nfs/dbraw/zinc/70/69/62/675706962.db2.gz OZKOUZSWAAGSFD-HDMKZQKVSA-N 2 2 366.531 0.608 10 0 FCAELP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000900683697 675706965 /nfs/dbraw/zinc/70/69/65/675706965.db2.gz OZKOUZSWAAGSFD-HDMKZQKVSA-N 2 2 366.531 0.608 10 0 FCAELP CC(C)(C)NC(=O)NCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001266599747 1169811247 /nfs/dbraw/zinc/81/12/47/1169811247.db2.gz VGMXCXAKMBUERA-AAVRWANBSA-N 2 2 362.478 0.848 10 0 FCAELP CC(C)(C)NC(=O)NCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001266599747 1169811248 /nfs/dbraw/zinc/81/12/48/1169811248.db2.gz VGMXCXAKMBUERA-AAVRWANBSA-N 2 2 362.478 0.848 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCn2cncn2)C1 ZINC001266807849 1170639843 /nfs/dbraw/zinc/63/98/43/1170639843.db2.gz ULUPBRGNXNHDGZ-BZUAXINKSA-N 2 2 357.462 0.644 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CCc2c[nH+]cn2C)CCN1C(=O)COCC[NH+](C)C ZINC001719635884 1171121505 /nfs/dbraw/zinc/12/15/05/1171121505.db2.gz RVXQXFXSCHPPDE-ZBFHGGJFSA-N 2 2 365.478 0.037 10 0 FCAELP O=C(NC/C=C\C[NH2+]C[C@@H]1CCCS(=O)(=O)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001483023185 1192718103 /nfs/dbraw/zinc/71/81/03/1192718103.db2.gz WJKQRNFVYWHTKQ-PPVKQBOPSA-N 2 2 366.487 0.600 10 0 FCAELP O=C(NC/C=C\C[NH2+]C[C@@H]1CCCS(=O)(=O)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001483023185 1192718107 /nfs/dbraw/zinc/71/81/07/1192718107.db2.gz WJKQRNFVYWHTKQ-PPVKQBOPSA-N 2 2 366.487 0.600 10 0 FCAELP C[N@H+](CCNC(=O)C(=O)N1CC[NH+](CCCOC(C)(C)C)CC1)C1CC1 ZINC000897549863 1192792590 /nfs/dbraw/zinc/79/25/90/1192792590.db2.gz AZYJONJJYCEBEQ-UHFFFAOYSA-N 2 2 368.522 0.546 10 0 FCAELP C[N@@H+](CCNC(=O)C(=O)N1CC[NH+](CCCOC(C)(C)C)CC1)C1CC1 ZINC000897549863 1192792597 /nfs/dbraw/zinc/79/25/97/1192792597.db2.gz AZYJONJJYCEBEQ-UHFFFAOYSA-N 2 2 368.522 0.546 10 0 FCAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C3C[NH+]([C@@H]4CCOC4)C3)CC2)CC1 ZINC000897997654 1192852867 /nfs/dbraw/zinc/85/28/67/1192852867.db2.gz JLSXIAJOKXDWMU-LJQANCHMSA-N 3 2 364.534 0.726 10 0 FCAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C3C[NH+]([C@@H]4CCOC4)C3)CC2)CC1 ZINC000897997654 1192852868 /nfs/dbraw/zinc/85/28/68/1192852868.db2.gz JLSXIAJOKXDWMU-LJQANCHMSA-N 3 2 364.534 0.726 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)CCN1c1cc[nH+]cc1 ZINC000898016315 1192854731 /nfs/dbraw/zinc/85/47/31/1192854731.db2.gz YGELEPMIYCRXSQ-GJZGRUSLSA-N 2 2 368.441 0.446 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCN1c1cc[nH+]cc1 ZINC000898016317 1192854758 /nfs/dbraw/zinc/85/47/58/1192854758.db2.gz YGELEPMIYCRXSQ-LSDHHAIUSA-N 2 2 368.441 0.446 10 0 FCAELP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000842050691 1192863636 /nfs/dbraw/zinc/86/36/36/1192863636.db2.gz FZTLODVOEWGWBS-HXUWFJFHSA-N 2 2 356.470 0.721 10 0 FCAELP CC(C)[C@H](C(=O)N1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1)[NH+](C)C ZINC001719723558 1179786125 /nfs/dbraw/zinc/78/61/25/1179786125.db2.gz HFXJCHQDCHCMCE-IIDMSEBBSA-N 2 2 363.506 0.760 10 0 FCAELP CCCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001267591104 1181994877 /nfs/dbraw/zinc/99/48/77/1181994877.db2.gz ZFDAZCUYCYYJQH-ARFHVFGLSA-N 2 2 361.490 0.830 10 0 FCAELP CCCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001267591104 1181994887 /nfs/dbraw/zinc/99/48/87/1181994887.db2.gz ZFDAZCUYCYYJQH-ARFHVFGLSA-N 2 2 361.490 0.830 10 0 FCAELP COC(=O)[C@H]1CC(=O)N(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000248454512 1185876688 /nfs/dbraw/zinc/87/66/88/1185876688.db2.gz ZLDRJUUBMMRKSI-PMRDEQMMSA-N 2 2 364.490 0.208 10 0 FCAELP COC(=O)[C@H]1CC(=O)N(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000248454512 1185876689 /nfs/dbraw/zinc/87/66/89/1185876689.db2.gz ZLDRJUUBMMRKSI-PMRDEQMMSA-N 2 2 364.490 0.208 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+]2CCN(Cc3cnon3)CC2)CC[N@@H+]1C ZINC001481469522 1186093211 /nfs/dbraw/zinc/09/32/11/1186093211.db2.gz UBRICYSNDPKLAW-DLBZAZTESA-N 2 2 364.494 0.376 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+]2CCN(Cc3cnon3)CC2)CC[N@H+]1C ZINC001481469522 1186093218 /nfs/dbraw/zinc/09/32/18/1186093218.db2.gz UBRICYSNDPKLAW-DLBZAZTESA-N 2 2 364.494 0.376 10 0 FCAELP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001719850189 1186383241 /nfs/dbraw/zinc/38/32/41/1186383241.db2.gz PMPRTACHJSKCPG-LTIDMASMSA-N 2 2 366.506 0.297 10 0 FCAELP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001719850189 1186383245 /nfs/dbraw/zinc/38/32/45/1186383245.db2.gz PMPRTACHJSKCPG-LTIDMASMSA-N 2 2 366.506 0.297 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCC2([NH2+][C@H](C(N)=O)c3ccc(F)cc3)CC2)CC[N@@H+]1C ZINC001269415314 1187847382 /nfs/dbraw/zinc/84/73/82/1187847382.db2.gz CXBZYSZBDFTLEI-WQVCFCJDSA-N 2 2 362.449 0.931 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCC2([NH2+][C@H](C(N)=O)c3ccc(F)cc3)CC2)CC[N@H+]1C ZINC001269415314 1187847383 /nfs/dbraw/zinc/84/73/83/1187847383.db2.gz CXBZYSZBDFTLEI-WQVCFCJDSA-N 2 2 362.449 0.931 10 0 FCAELP CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001270136596 1188027708 /nfs/dbraw/zinc/02/77/08/1188027708.db2.gz NFTSVLLAQVHHAX-ARFHVFGLSA-N 2 2 361.490 0.971 10 0 FCAELP C[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c2c1OC(F)(F)O2 ZINC000894903340 1188333215 /nfs/dbraw/zinc/33/32/15/1188333215.db2.gz RDLOPOMOMMWDEX-TXEJJXNPSA-N 2 2 367.352 0.774 10 0 FCAELP C[NH+](C)Cc1ccc(C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c2c1OC(F)(F)O2 ZINC000894903340 1188333218 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2 371.485 0.767 10 0 FCAELP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000550898576 1193818874 /nfs/dbraw/zinc/81/88/74/1193818874.db2.gz GNUBMLOZJNLVLE-OAHLLOKOSA-N 2 2 371.485 0.767 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NC1CCCC1 ZINC001483061981 1193856553 /nfs/dbraw/zinc/85/65/53/1193856553.db2.gz YGKBCBPAGYMFIB-KSLSASGISA-N 2 2 359.474 0.844 10 0 FCAELP CC(C)N1CC[C@@H]([NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1=O ZINC001483062293 1193856973 /nfs/dbraw/zinc/85/69/73/1193856973.db2.gz NEDYQYLGURDXBU-LDUWWUQZSA-N 2 2 359.474 0.795 10 0 FCAELP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000898527218 1194040821 /nfs/dbraw/zinc/04/08/21/1194040821.db2.gz AVEDVUQFTZMASZ-IAGOWNOFSA-N 2 2 355.442 0.951 10 0 FCAELP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000898527218 1194040825 /nfs/dbraw/zinc/04/08/25/1194040825.db2.gz AVEDVUQFTZMASZ-IAGOWNOFSA-N 2 2 355.442 0.951 10 0 FCAELP Cn1cc(CN(CCn2cc[nH+]c2)C(=O)C[C@]2(O)CCC[N@H+](C)C2)cn1 ZINC000908066522 1195722255 /nfs/dbraw/zinc/72/22/55/1195722255.db2.gz GFHVFOWVAGOOES-GOSISDBHSA-N 2 2 360.462 0.492 10 0 FCAELP Cn1cc(CN(CCn2cc[nH+]c2)C(=O)C[C@]2(O)CCC[N@@H+](C)C2)cn1 ZINC000908066522 1195722261 /nfs/dbraw/zinc/72/22/61/1195722261.db2.gz GFHVFOWVAGOOES-GOSISDBHSA-N 2 2 360.462 0.492 10 0 FCAELP C[C@H](C(=O)N(C)CC[N@H+](C)CCO)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000912606670 1196352948 /nfs/dbraw/zinc/35/29/48/1196352948.db2.gz JRKOHOQKCWCJAY-MRXNPFEDSA-N 2 2 366.481 0.719 10 0 FCAELP C[C@H](C(=O)N(C)CC[N@@H+](C)CCO)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000912606670 1196352953 /nfs/dbraw/zinc/35/29/53/1196352953.db2.gz JRKOHOQKCWCJAY-MRXNPFEDSA-N 2 2 366.481 0.719 10 0 FCAELP O=C(N[C@@H](C[NH2+]CC1CC1)C1CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001483577269 1196378940 /nfs/dbraw/zinc/37/89/40/1196378940.db2.gz NJELTOLGZBKYHN-SQNIBIBYSA-N 2 2 351.491 0.761 10 0 FCAELP O=C(N[C@H](C[NH2+]CC1CC1)C1CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001483577267 1196379078 /nfs/dbraw/zinc/37/90/78/1196379078.db2.gz NJELTOLGZBKYHN-KURKYZTESA-N 2 2 351.491 0.761 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](C[NH2+]CCS(C)(=O)=O)C1CC1 ZINC001483589018 1196389765 /nfs/dbraw/zinc/38/97/65/1196389765.db2.gz JQCKCOBGDZGWRF-MCIONIFRSA-N 2 2 354.476 0.053 10 0 FCAELP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[N@H+](C)[C@H](CO)C3)cc2)CC1 ZINC000913551690 1196458758 /nfs/dbraw/zinc/45/87/58/1196458758.db2.gz WQWAIDFOSXVPMV-IBGZPJMESA-N 2 2 360.502 0.966 10 0 FCAELP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[N@@H+](C)[C@H](CO)C3)cc2)CC1 ZINC000913551690 1196458766 /nfs/dbraw/zinc/45/87/66/1196458766.db2.gz WQWAIDFOSXVPMV-IBGZPJMESA-N 2 2 360.502 0.966 10 0 FCAELP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000591933712 1196531786 /nfs/dbraw/zinc/53/17/86/1196531786.db2.gz FECQXAMQKKQABY-MRXNPFEDSA-N 2 2 363.458 0.928 10 0 FCAELP CO[C@H]1C[C@@H](C[NH+](C)C)N(c2cc(N3Cc4cncnc4C3)[nH+]cn2)C1 ZINC000824506866 1197731224 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SEOXSHLMUSUYHL-SJORKVTESA-N 2 2 369.506 0.218 10 0 FCAELP C[NH+]1CCN(C(=O)c2ccc(-c3noc(CC(F)(F)C[NH3+])n3)cn2)CC1 ZINC000844914375 1204443643 /nfs/dbraw/zinc/44/36/43/1204443643.db2.gz GEODBTPYYVHSMB-UHFFFAOYSA-N 2 2 366.372 0.656 10 0 FCAELP CCCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001488942750 1208580563 /nfs/dbraw/zinc/58/05/63/1208580563.db2.gz SIZPISSAUJJMTC-HRCADAONSA-N 2 2 361.490 0.846 10 0 FCAELP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001489016824 1208608193 /nfs/dbraw/zinc/60/81/93/1208608193.db2.gz OJNDSHWOXPPTJG-CZUORRHYSA-N 2 2 363.462 0.026 10 0 FCAELP CCO[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C[NH2+]CCn1cccn1 ZINC001489021351 1208609778 /nfs/dbraw/zinc/60/97/78/1208609778.db2.gz ZDLRKCNSXLXOSA-NVXWUHKLSA-N 2 2 360.462 0.610 10 0 FCAELP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001489245736 1208684790 /nfs/dbraw/zinc/68/47/90/1208684790.db2.gz KZBWKDSIDBYGHE-RRFJBIMHSA-N 2 2 365.453 0.691 10 0 FCAELP CCC[N@H+](C)CC(=O)N1C[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@]2(C)C1 ZINC001490233411 1209281292 /nfs/dbraw/zinc/28/12/92/1209281292.db2.gz OWFUTXFBKBZYJP-BEFAXECRSA-N 2 2 361.490 0.611 10 0 FCAELP CCC[N@@H+](C)CC(=O)N1C[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@]2(C)C1 ZINC001490233411 1209281294 /nfs/dbraw/zinc/28/12/94/1209281294.db2.gz OWFUTXFBKBZYJP-BEFAXECRSA-N 2 2 361.490 0.611 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[N@H+](C)C[C@H]1CCc2ncnn21 ZINC001490251775 1209286451 /nfs/dbraw/zinc/28/64/51/1209286451.db2.gz WPDNQZCVRSRJTG-RBSFLKMASA-N 2 2 357.462 0.741 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[N@@H+](C)C[C@H]1CCc2ncnn21 ZINC001490251775 1209286453 /nfs/dbraw/zinc/28/64/53/1209286453.db2.gz WPDNQZCVRSRJTG-RBSFLKMASA-N 2 2 357.462 0.741 10 0 FCAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2 ZINC001490620559 1209391230 /nfs/dbraw/zinc/39/12/30/1209391230.db2.gz XMJFHMQLBNXBJA-SIXLDLHFSA-N 2 2 371.485 0.932 10 0 FCAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2 ZINC001490620559 1209391235 /nfs/dbraw/zinc/39/12/35/1209391235.db2.gz XMJFHMQLBNXBJA-SIXLDLHFSA-N 2 2 371.485 0.932 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC4=C(CCC(=O)N4)C3)C2)CC1 ZINC000852127687 1209533567 /nfs/dbraw/zinc/53/35/67/1209533567.db2.gz AVIBHXDREMXRHL-OAHLLOKOSA-N 2 2 361.490 0.734 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC4=C(CCC(=O)N4)C3)C2)CC1 ZINC000852127687 1209533570 /nfs/dbraw/zinc/53/35/70/1209533570.db2.gz AVIBHXDREMXRHL-OAHLLOKOSA-N 2 2 361.490 0.734 10 0 FCAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852296049 1209540970 /nfs/dbraw/zinc/54/09/70/1209540970.db2.gz NYRZAMSCWCHPSZ-OAHLLOKOSA-N 2 2 369.469 0.989 10 0 FCAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852296049 1209540975 /nfs/dbraw/zinc/54/09/75/1209540975.db2.gz NYRZAMSCWCHPSZ-OAHLLOKOSA-N 2 2 369.469 0.989 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852865781 1209569311 /nfs/dbraw/zinc/56/93/11/1209569311.db2.gz OZIYPMHSEAUKDS-DOTOQJQBSA-N 2 2 360.458 0.840 10 0 FCAELP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C3=NO[C@H](C[NH3+])C3)c2)CC1 ZINC000852891182 1209574014 /nfs/dbraw/zinc/57/40/14/1209574014.db2.gz ZJONQRDOFNIRMU-INIZCTEOSA-N 2 2 359.430 0.393 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000853590852 1209600623 /nfs/dbraw/zinc/60/06/23/1209600623.db2.gz VVLLWZXFVVBPGP-UHFFFAOYSA-N 2 2 359.478 0.950 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000853590852 1209600625 /nfs/dbraw/zinc/60/06/25/1209600625.db2.gz VVLLWZXFVVBPGP-UHFFFAOYSA-N 2 2 359.478 0.950 10 0 FCAELP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856597128 1209717656 /nfs/dbraw/zinc/71/76/56/1209717656.db2.gz DUGGCWZOZZKCTG-MRXNPFEDSA-N 2 2 363.462 0.831 10 0 FCAELP CNC(=O)NC(=O)C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856597128 1209717659 /nfs/dbraw/zinc/71/76/59/1209717659.db2.gz DUGGCWZOZZKCTG-MRXNPFEDSA-N 2 2 363.462 0.831 10 0 FCAELP CNC(=O)NC(=O)C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856597128 1209717662 /nfs/dbraw/zinc/71/76/62/1209717662.db2.gz DUGGCWZOZZKCTG-MRXNPFEDSA-N 2 2 363.462 0.831 10 0 FCAELP CNC(=O)NC(=O)C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856597128 1209717664 /nfs/dbraw/zinc/71/76/64/1209717664.db2.gz DUGGCWZOZZKCTG-MRXNPFEDSA-N 2 2 363.462 0.831 10 0 FCAELP CON(C)C(=O)[C@H](C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000858972448 1209807494 /nfs/dbraw/zinc/80/74/94/1209807494.db2.gz OVVJUKVLDNBVMH-HNNXBMFYSA-N 2 2 369.510 0.644 10 0 FCAELP COc1cc(COCC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000859337381 1209817616 /nfs/dbraw/zinc/81/76/16/1209817616.db2.gz JVYYONMZPXXLMV-MRXNPFEDSA-N 2 2 362.474 0.892 10 0 FCAELP COc1cc(COCC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000859337381 1209817620 /nfs/dbraw/zinc/81/76/20/1209817620.db2.gz JVYYONMZPXXLMV-MRXNPFEDSA-N 2 2 362.474 0.892 10 0 FCAELP COC(=O)[C@@H]1CC[C@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)O1 ZINC000859644229 1209827050 /nfs/dbraw/zinc/82/70/50/1209827050.db2.gz UZXPYTZLYQEDAO-CVEARBPZSA-N 2 2 367.490 0.774 10 0 FCAELP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)NCc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000861740964 1209878618 /nfs/dbraw/zinc/87/86/18/1209878618.db2.gz XGWOEOJJEADEJU-BGYRXZFFSA-N 2 2 367.453 0.947 10 0 FCAELP O=C(C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)Nc1ccc(O)cc1 ZINC000863550024 1209944569 /nfs/dbraw/zinc/94/45/69/1209944569.db2.gz MCXFZBXSNXDFJI-CVEARBPZSA-N 2 2 360.414 0.588 10 0 FCAELP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000863766731 1209951279 /nfs/dbraw/zinc/95/12/79/1209951279.db2.gz AFKIMQUECMLNDL-ZOCIIQOWSA-N 2 2 359.474 0.584 10 0 FCAELP COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866709833 1210002789 /nfs/dbraw/zinc/00/27/89/1210002789.db2.gz UTTKSUSCHSHVBL-WNOSKKOXSA-N 2 2 374.441 0.889 10 0 FCAELP COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866709833 1210002792 /nfs/dbraw/zinc/00/27/92/1210002792.db2.gz UTTKSUSCHSHVBL-WNOSKKOXSA-N 2 2 374.441 0.889 10 0 FCAELP Cn1cc(-c2nc(C[N@@H+]3CC[C@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)cs2)cn1 ZINC000866714462 1210004533 /nfs/dbraw/zinc/00/45/33/1210004533.db2.gz PJODWGKLSXDFRQ-ZNMIVQPWSA-N 2 2 374.470 0.911 10 0 FCAELP Cn1cc(-c2nc(C[N@H+]3CC[C@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)cs2)cn1 ZINC000866714462 1210004535 /nfs/dbraw/zinc/00/45/35/1210004535.db2.gz PJODWGKLSXDFRQ-ZNMIVQPWSA-N 2 2 374.470 0.911 10 0 FCAELP Nc1nc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)nc2ccccc12 ZINC000866714722 1210005011 /nfs/dbraw/zinc/00/50/11/1210005011.db2.gz VZGXZKIBAJHTTC-GLQYFDAESA-N 2 2 354.414 0.579 10 0 FCAELP Nc1nc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)nc2ccccc12 ZINC000866714722 1210005014 /nfs/dbraw/zinc/00/50/14/1210005014.db2.gz VZGXZKIBAJHTTC-GLQYFDAESA-N 2 2 354.414 0.579 10 0 FCAELP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[NH+]3C)C2)C[C@H](C)O1 ZINC000867488341 1210008752 /nfs/dbraw/zinc/00/87/52/1210008752.db2.gz IEARKCDSICEMGO-VVLHAWIVSA-N 2 2 366.506 0.107 10 0 FCAELP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[NH+]3C)C2)C[C@H](C)O1 ZINC000867488341 1210008757 /nfs/dbraw/zinc/00/87/57/1210008757.db2.gz IEARKCDSICEMGO-VVLHAWIVSA-N 2 2 366.506 0.107 10 0 FCAELP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)C[C@H](C)O1 ZINC000867488341 1210008760 /nfs/dbraw/zinc/00/87/60/1210008760.db2.gz IEARKCDSICEMGO-VVLHAWIVSA-N 2 2 366.506 0.107 10 0 FCAELP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)C[C@H](C)O1 ZINC000867488341 1210008763 /nfs/dbraw/zinc/00/87/63/1210008763.db2.gz IEARKCDSICEMGO-VVLHAWIVSA-N 2 2 366.506 0.107 10 0 FCAELP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000868418122 1210064426 /nfs/dbraw/zinc/06/44/26/1210064426.db2.gz IWFWIRWTVWLELN-OALUTQOASA-N 2 2 370.497 0.992 10 0 FCAELP O=C(/C=C\C[NH+]1CCOCC1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000869241521 1210087161 /nfs/dbraw/zinc/08/71/61/1210087161.db2.gz HQIYIPKOGHTIAL-COLJXDCZSA-N 2 2 359.470 0.758 10 0 FCAELP O=C(/C=C\C[NH+]1CCOCC1)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000869241521 1210087165 /nfs/dbraw/zinc/08/71/65/1210087165.db2.gz HQIYIPKOGHTIAL-COLJXDCZSA-N 2 2 359.470 0.758 10 0 FCAELP CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872193466 1210176979 /nfs/dbraw/zinc/17/69/79/1210176979.db2.gz XQVJFXIOLBNJIH-HNAYVOBHSA-N 2 2 361.490 0.752 10 0 FCAELP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)c3c(C[NH3+])cnn3C)cc2)CC1 ZINC000876895640 1210433858 /nfs/dbraw/zinc/43/38/58/1210433858.db2.gz HGDNSEOZSHPDHY-UHFFFAOYSA-N 2 2 370.457 0.795 10 0 FCAELP CN(C(=O)CCCC[NH+](C)C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001299383675 1211123946 /nfs/dbraw/zinc/12/39/46/1211123946.db2.gz WBVNBSCVGZQHCM-HZPDHXFCSA-N 2 2 361.490 0.925 10 0 FCAELP C[C@@H]1[C@H](NC(=O)N2CC[NH+](C)C[C@@H]2CNC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000925332037 1211495824 /nfs/dbraw/zinc/49/58/24/1211495824.db2.gz NBYQHVSHKOKFAP-QLFBSQMISA-N 2 2 369.510 0.929 10 0 FCAELP C[C@@H]1[C@H](NC(=O)N2CC[NH+](C)C[C@@H]2CNC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000925332037 1211495826 /nfs/dbraw/zinc/49/58/26/1211495826.db2.gz NBYQHVSHKOKFAP-QLFBSQMISA-N 2 2 369.510 0.929 10 0 FCAELP C[C@@H]1[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)CC[NH+]1C ZINC000925332037 1211495829 /nfs/dbraw/zinc/49/58/29/1211495829.db2.gz NBYQHVSHKOKFAP-QLFBSQMISA-N 2 2 369.510 0.929 10 0 FCAELP C[C@@H]1[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)CC[NH+]1C ZINC000925332037 1211495831 /nfs/dbraw/zinc/49/58/31/1211495831.db2.gz NBYQHVSHKOKFAP-QLFBSQMISA-N 2 2 369.510 0.929 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)CC[C@H]1C[NH3+] ZINC000926390293 1211544778 /nfs/dbraw/zinc/54/47/78/1211544778.db2.gz YKOYNIGAPZEPTG-NEWSRXKRSA-N 2 2 372.513 0.815 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)CC[C@H]1C[NH3+] ZINC000926390293 1211544785 /nfs/dbraw/zinc/54/47/85/1211544785.db2.gz YKOYNIGAPZEPTG-NEWSRXKRSA-N 2 2 372.513 0.815 10 0 FCAELP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CCNCC[NH2+]CC3)c2C1 ZINC000927879446 1211589700 /nfs/dbraw/zinc/58/97/00/1211589700.db2.gz RSMZCYOYMRLBFX-UHFFFAOYSA-N 2 2 359.474 0.372 10 0 FCAELP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CCNCC[NH2+]CC3)c2C1 ZINC000927879446 1211589704 /nfs/dbraw/zinc/58/97/04/1211589704.db2.gz RSMZCYOYMRLBFX-UHFFFAOYSA-N 2 2 359.474 0.372 10 0 FCAELP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C ZINC000928633696 1211606394 /nfs/dbraw/zinc/60/63/94/1211606394.db2.gz BRZYSLVFGZBGJE-CABCVRRESA-N 2 2 372.510 0.668 10 0 FCAELP C[C@@H]1C[N@H+](C[C@@H]2CN=C(c3cnn(C)c3)O2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000930137404 1211690018 /nfs/dbraw/zinc/69/00/18/1211690018.db2.gz SOUAMXCPKHTRQE-BPQIPLTHSA-N 2 2 360.506 0.523 10 0 FCAELP C[C@@H]1C[N@@H+](C[C@@H]2CN=C(c3cnn(C)c3)O2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000930137404 1211690024 /nfs/dbraw/zinc/69/00/24/1211690024.db2.gz SOUAMXCPKHTRQE-BPQIPLTHSA-N 2 2 360.506 0.523 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC[C@@H]3C[C@H]3C3CC3)C2)CC1 ZINC000930176481 1211693971 /nfs/dbraw/zinc/69/39/71/1211693971.db2.gz XHFNUAUCHYAYHR-RYRKJORJSA-N 2 2 362.518 0.824 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC[C@@H]3C[C@H]3C3CC3)C2)CC1 ZINC000930176481 1211693975 /nfs/dbraw/zinc/69/39/75/1211693975.db2.gz XHFNUAUCHYAYHR-RYRKJORJSA-N 2 2 362.518 0.824 10 0 FCAELP Cc1cc(CNC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)cc(C)[nH+]1 ZINC000930872783 1211726232 /nfs/dbraw/zinc/72/62/32/1211726232.db2.gz SHPDHVBZYVUGFG-SJORKVTESA-N 2 2 360.458 0.372 10 0 FCAELP Cc1cc(CNC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cc(C)[nH+]1 ZINC000930872783 1211726234 /nfs/dbraw/zinc/72/62/34/1211726234.db2.gz SHPDHVBZYVUGFG-SJORKVTESA-N 2 2 360.458 0.372 10 0 FCAELP C[C@H](CNC(=O)C(=O)N1CCC12CC[NH+](C)CC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000930947759 1211730050 /nfs/dbraw/zinc/73/00/50/1211730050.db2.gz DHVRWDRMRJWMRH-OAGGEKHMSA-N 2 2 366.506 0.297 10 0 FCAELP C[C@H](CNC(=O)C(=O)N1CCC12CC[NH+](C)CC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000930947759 1211730053 /nfs/dbraw/zinc/73/00/53/1211730053.db2.gz DHVRWDRMRJWMRH-OAGGEKHMSA-N 2 2 366.506 0.297 10 0 FCAELP COC1(OC)CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1O ZINC000931635605 1211766148 /nfs/dbraw/zinc/76/61/48/1211766148.db2.gz OQFBOMIBOLZSRT-IRXDYDNUSA-N 2 2 365.474 0.461 10 0 FCAELP COC1(OC)CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1O ZINC000931635605 1211766150 /nfs/dbraw/zinc/76/61/50/1211766150.db2.gz OQFBOMIBOLZSRT-IRXDYDNUSA-N 2 2 365.474 0.461 10 0 FCAELP C[C@@H]1CC=CC[C@H]1[NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000934621662 1211864674 /nfs/dbraw/zinc/86/46/74/1211864674.db2.gz GBVGHLQLUNUYMC-GDBMZVCRSA-N 2 2 369.473 0.956 10 0 FCAELP CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000934734749 1211866133 /nfs/dbraw/zinc/86/61/33/1211866133.db2.gz HHPDLKGOCDNAAU-SJORKVTESA-N 2 2 369.506 0.218 10 0 FCAELP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC[N@@H+]1CC(C)(C)O ZINC000935544794 1211880426 /nfs/dbraw/zinc/88/04/26/1211880426.db2.gz YUWFHNVZDFYBHW-ZACQAIPSSA-N 2 2 369.506 0.170 10 0 FCAELP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC[N@H+]1CC(C)(C)O ZINC000935544794 1211880428 /nfs/dbraw/zinc/88/04/28/1211880428.db2.gz YUWFHNVZDFYBHW-ZACQAIPSSA-N 2 2 369.506 0.170 10 0 FCAELP CC1(OCC(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C[NH2+]C1 ZINC000649308937 1213652446 /nfs/dbraw/zinc/65/24/46/1213652446.db2.gz IPOBROXVVCOMPB-UHFFFAOYSA-N 2 2 363.458 0.392 10 0 FCAELP CC[NH+](CC)CC(=O)N1CCN(C(=O)/C=C(/C)C[NH+]2CCOCC2)CC1 ZINC000900574376 1218007522 /nfs/dbraw/zinc/00/75/22/1218007522.db2.gz JAMAONRYKRUHNG-VKAVYKQESA-N 2 2 366.506 0.278 10 0 FCAELP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000900925968 1218056794 /nfs/dbraw/zinc/05/67/94/1218056794.db2.gz PETVRBXAYYRWRQ-PXNSSMCTSA-N 2 2 374.485 0.397 10 0 FCAELP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000900925968 1218056797 /nfs/dbraw/zinc/05/67/97/1218056797.db2.gz PETVRBXAYYRWRQ-PXNSSMCTSA-N 2 2 374.485 0.397 10 0 FCAELP CC1(C)CN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@H]1[NH3+] ZINC000903558858 1218449998 /nfs/dbraw/zinc/44/99/98/1218449998.db2.gz RPKUQEAUJCAVDY-LJQANCHMSA-N 2 2 372.513 0.935 10 0 FCAELP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC[C@@H]1C(F)(F)F ZINC000903726780 1218507949 /nfs/dbraw/zinc/50/79/49/1218507949.db2.gz PFQCILUSPVIBFC-GRYCIOLGSA-N 2 2 373.379 0.854 10 0 FCAELP C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C[C@@H]1n1cc[nH+]c1 ZINC000903760925 1218518562 /nfs/dbraw/zinc/51/85/62/1218518562.db2.gz XKPXZJDKYABXJL-LPWJVIDDSA-N 2 2 373.379 0.641 10 0 FCAELP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cnn1C ZINC000903909935 1218561743 /nfs/dbraw/zinc/56/17/43/1218561743.db2.gz IZCXCYPPQAFJNP-HQRMLTQVSA-N 3 2 362.566 0.804 10 0 FCAELP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cnn1C ZINC000903909935 1218561757 /nfs/dbraw/zinc/56/17/57/1218561757.db2.gz IZCXCYPPQAFJNP-HQRMLTQVSA-N 3 2 362.566 0.804 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC[C@@H]2C2OCCO2)C1 ZINC000726882718 1219658538 /nfs/dbraw/zinc/65/85/38/1219658538.db2.gz QYDGMFNJJYMUMQ-IAGOWNOFSA-N 2 2 369.506 0.687 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC[C@@H]2C2OCCO2)C1 ZINC000726882718 1219658540 /nfs/dbraw/zinc/65/85/40/1219658540.db2.gz QYDGMFNJJYMUMQ-IAGOWNOFSA-N 2 2 369.506 0.687 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCCC[C@@H]2C2OCCO2)C1 ZINC000726882718 1219658541 /nfs/dbraw/zinc/65/85/41/1219658541.db2.gz QYDGMFNJJYMUMQ-IAGOWNOFSA-N 2 2 369.506 0.687 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCCC[C@@H]2C2OCCO2)C1 ZINC000726882718 1219658544 /nfs/dbraw/zinc/65/85/44/1219658544.db2.gz QYDGMFNJJYMUMQ-IAGOWNOFSA-N 2 2 369.506 0.687 10 0 FCAELP O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC001118861523 1221837131 /nfs/dbraw/zinc/83/71/31/1221837131.db2.gz KKSYVBCEOAGXTA-CQSZACIVSA-N 2 2 359.478 0.555 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC001119635611 1221942930 /nfs/dbraw/zinc/94/29/30/1221942930.db2.gz BTFYHFFJIYXKTN-JXFKEZNVSA-N 2 2 374.485 0.204 10 0 FCAELP C[C@@H](CNC(=O)[C@@]1([NH+](C)C)COc2ccccc2C1)C[NH+]1CCN(C)CC1 ZINC001123658710 1222348028 /nfs/dbraw/zinc/34/80/28/1222348028.db2.gz TYVMOHURMUSZIX-UWJYYQICSA-N 2 2 374.529 0.922 10 0 FCAELP C[NH+](C)[C@]1(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)COc2ccccc2C1 ZINC001123778784 1222356586 /nfs/dbraw/zinc/35/65/86/1222356586.db2.gz AFUNFQIEWAJAJF-QKLQHJQFSA-N 2 2 359.470 0.589 10 0 FCAELP C[NH+](C)[C@]1(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)COc2ccccc2C1 ZINC001123778784 1222356588 /nfs/dbraw/zinc/35/65/88/1222356588.db2.gz AFUNFQIEWAJAJF-QKLQHJQFSA-N 2 2 359.470 0.589 10 0 FCAELP COc1c(C)c[nH+]c(CNC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c1C ZINC000842149381 1222837491 /nfs/dbraw/zinc/83/74/91/1222837491.db2.gz XSXIPLGCJFGOPV-IBGZPJMESA-N 2 2 360.458 0.925 10 0 FCAELP CCc1nn(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(=O)n1CC ZINC000842600310 1222849535 /nfs/dbraw/zinc/84/95/35/1222849535.db2.gz ORJSDJBHEPYRGO-SJPCQFCGSA-N 2 2 362.522 0.827 10 0 FCAELP CCc1nn(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(=O)n1CC ZINC000842600310 1222849536 /nfs/dbraw/zinc/84/95/36/1222849536.db2.gz ORJSDJBHEPYRGO-SJPCQFCGSA-N 2 2 362.522 0.827 10 0 FCAELP C[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000848931735 1245386672 /nfs/dbraw/zinc/38/66/72/1245386672.db2.gz GXVGHTXUPCINRM-VQHPVUNQSA-N 2 2 368.522 0.591 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848935301 1245388683 /nfs/dbraw/zinc/38/86/83/1245388683.db2.gz KUISPRWOBVPAMR-NRKLIOEPSA-N 2 2 368.522 0.589 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848935301 1245388687 /nfs/dbraw/zinc/38/86/87/1245388687.db2.gz KUISPRWOBVPAMR-NRKLIOEPSA-N 2 2 368.522 0.589 10 0 FCAELP CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+]3CCN2CC3)[C@H](c2cnn(C)c2)C1 ZINC000849568417 1245401168 /nfs/dbraw/zinc/40/11/68/1245401168.db2.gz NZOYJFBNGSIQMW-QYZOEREBSA-N 2 2 374.533 0.350 10 0 FCAELP CC(C)[N@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+]3CCN2CC3)[C@H](c2cnn(C)c2)C1 ZINC000849568417 1245401174 /nfs/dbraw/zinc/40/11/74/1245401174.db2.gz NZOYJFBNGSIQMW-QYZOEREBSA-N 2 2 374.533 0.350 10 0 FCAELP C[NH+]1CCC(CNC(=O)NCC[C@@H]2CNC(=O)C2)([NH+]2CCCCC2)CC1 ZINC000920605272 1245626110 /nfs/dbraw/zinc/62/61/10/1245626110.db2.gz YKWVBEGUMXVWKF-INIZCTEOSA-N 2 2 365.522 0.762 10 0 FCAELP O=C(N1CC[NH2+]CC1)N1CC[NH+](C[C@@H](O)COc2ccccc2F)CC1 ZINC000923397667 1245715278 /nfs/dbraw/zinc/71/52/78/1245715278.db2.gz FCZRKHPOWVBSEF-OAHLLOKOSA-N 2 2 366.437 0.208 10 0 FCAELP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000937524300 1245795333 /nfs/dbraw/zinc/79/53/33/1245795333.db2.gz CDSKTLBDFDXKHR-CAOSSQGBSA-N 2 2 368.441 0.540 10 0 FCAELP C[C@@H](CNC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)[NH+]1CCN(C)CC1 ZINC001519686030 1265749677 /nfs/dbraw/zinc/74/96/77/1265749677.db2.gz CTFSVWHMCVMWKB-DOTOQJQBSA-N 2 2 353.511 0.175 10 0 FCAELP C[C@@H](CNC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1)[NH+]1CCN(C)CC1 ZINC001519686030 1265749682 /nfs/dbraw/zinc/74/96/82/1265749682.db2.gz CTFSVWHMCVMWKB-DOTOQJQBSA-N 2 2 353.511 0.175 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)CCc2[nH+]ccn2C)CCN1C(=O)C[NH+]1CCCC1 ZINC001519975384 1265816109 /nfs/dbraw/zinc/81/61/09/1265816109.db2.gz NOPDNYPYPDVFJG-JKSUJKDBSA-N 2 2 361.490 0.944 10 0 FCAELP CC(C)C[C@H](C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)n1cc[nH+]c1 ZINC001520928340 1266043536 /nfs/dbraw/zinc/04/35/36/1266043536.db2.gz VPJCILMTKFEYJK-LZLYRXPVSA-N 2 2 350.463 0.812 10 0 FCAELP CC(C)C[C@H](C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)n1cc[nH+]c1 ZINC001520928340 1266043543 /nfs/dbraw/zinc/04/35/43/1266043543.db2.gz VPJCILMTKFEYJK-LZLYRXPVSA-N 2 2 350.463 0.812 10 0 FCAELP CCNc1cc(CNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)cc[nH+]1 ZINC001521147188 1266092981 /nfs/dbraw/zinc/09/29/81/1266092981.db2.gz KNAQHIZZCOYKJE-MAUKXSAKSA-N 2 2 363.462 0.538 10 0 FCAELP CCNc1cc(CNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)cc[nH+]1 ZINC001521147188 1266092989 /nfs/dbraw/zinc/09/29/89/1266092989.db2.gz KNAQHIZZCOYKJE-MAUKXSAKSA-N 2 2 363.462 0.538 10 0 FCAELP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001521934762 1266240686 /nfs/dbraw/zinc/24/06/86/1266240686.db2.gz QOSKEFRLMMHGSC-OWCLPIDISA-N 2 2 361.490 0.515 10 0 FCAELP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001521934762 1266240693 /nfs/dbraw/zinc/24/06/93/1266240693.db2.gz QOSKEFRLMMHGSC-OWCLPIDISA-N 2 2 361.490 0.515 10 0 FCAELP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001521935639 1266242565 /nfs/dbraw/zinc/24/25/65/1266242565.db2.gz YQSOUTOQRBEJSN-HUUCEWRRSA-N 2 2 361.490 0.658 10 0 FCAELP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001521935639 1266242571 /nfs/dbraw/zinc/24/25/71/1266242571.db2.gz YQSOUTOQRBEJSN-HUUCEWRRSA-N 2 2 361.490 0.658 10 0 FCAELP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001521941324 1266245303 /nfs/dbraw/zinc/24/53/03/1266245303.db2.gz ZOKZFRIOLFXJNT-OWCLPIDISA-N 2 2 361.490 0.515 10 0 FCAELP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001521941324 1266245310 /nfs/dbraw/zinc/24/53/10/1266245310.db2.gz ZOKZFRIOLFXJNT-OWCLPIDISA-N 2 2 361.490 0.515 10 0 FCAELP Cc1c[nH+]cn1CC(=O)NC[C@]1(C)CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001335404411 1259648356 /nfs/dbraw/zinc/64/83/56/1259648356.db2.gz GDFMRIAMPFNZJN-SFHVURJKSA-N 2 2 358.446 0.751 10 0 FCAELP C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1cnn(C)c1 ZINC001264502811 1260375282 /nfs/dbraw/zinc/37/52/82/1260375282.db2.gz UDJFHQQIAWTGLU-CWRNSKLLSA-N 2 2 360.462 0.431 10 0 FCAELP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]2C1 ZINC001264646664 1260388784 /nfs/dbraw/zinc/38/87/84/1260388784.db2.gz UKZDYEYNIHMNSK-IXDOHACOSA-N 2 2 364.490 0.714 10 0 FCAELP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]2C1 ZINC001264646664 1260388790 /nfs/dbraw/zinc/38/87/90/1260388790.db2.gz UKZDYEYNIHMNSK-IXDOHACOSA-N 2 2 364.490 0.714 10 0 FCAELP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001265285793 1260410781 /nfs/dbraw/zinc/41/07/81/1260410781.db2.gz HTDWEANUWVHGHG-RBSFLKMASA-N 2 2 367.494 0.143 10 0 FCAELP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001265285793 1260410788 /nfs/dbraw/zinc/41/07/88/1260410788.db2.gz HTDWEANUWVHGHG-RBSFLKMASA-N 2 2 367.494 0.143 10 0 FCAELP CCCCNC(=O)NC(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001265285793 1260410791 /nfs/dbraw/zinc/41/07/91/1260410791.db2.gz HTDWEANUWVHGHG-RBSFLKMASA-N 2 2 367.494 0.143 10 0 FCAELP CCCCNC(=O)NC(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001265285793 1260410797 /nfs/dbraw/zinc/41/07/97/1260410797.db2.gz HTDWEANUWVHGHG-RBSFLKMASA-N 2 2 367.494 0.143 10 0 FCAELP CC(C)OCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001265440025 1260412698 /nfs/dbraw/zinc/41/26/98/1260412698.db2.gz AUFKLLKYYHGUQV-KSZLIROESA-N 2 2 369.506 0.482 10 0 FCAELP CCOCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001265921877 1260420730 /nfs/dbraw/zinc/42/07/30/1260420730.db2.gz XESBZWLLUQFFMN-KSZLIROESA-N 2 2 369.506 0.483 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[NH+](Cc3coc(C4CC4)n3)C2)CC[N@@H+]1C ZINC001278782332 1260731059 /nfs/dbraw/zinc/73/10/59/1260731059.db2.gz VUSYXTABSPTGJT-NRXGSXMXSA-N 2 2 362.474 0.945 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[NH+](Cc3coc(C4CC4)n3)C2)CC[N@H+]1C ZINC001278782332 1260731065 /nfs/dbraw/zinc/73/10/65/1260731065.db2.gz VUSYXTABSPTGJT-NRXGSXMXSA-N 2 2 362.474 0.945 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[N@H+](Cc3coc(C4CC4)n3)C2)CC[NH+]1C ZINC001278782332 1260731068 /nfs/dbraw/zinc/73/10/68/1260731068.db2.gz VUSYXTABSPTGJT-NRXGSXMXSA-N 2 2 362.474 0.945 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](Cc3coc(C4CC4)n3)C2)CC[NH+]1C ZINC001278782332 1260731070 /nfs/dbraw/zinc/73/10/70/1260731070.db2.gz VUSYXTABSPTGJT-NRXGSXMXSA-N 2 2 362.474 0.945 10 0 FCAELP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001332237636 1266364306 /nfs/dbraw/zinc/36/43/06/1266364306.db2.gz KTGRYUIVYVOEMW-YUELXQCFSA-N 2 2 359.430 0.229 10 0 FCAELP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001281762244 1261185842 /nfs/dbraw/zinc/18/58/42/1261185842.db2.gz WEFXBYOXRGUSHK-BZUAXINKSA-N 2 2 361.490 0.750 10 0 FCAELP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001282091971 1261337200 /nfs/dbraw/zinc/33/72/00/1261337200.db2.gz QIKOZSXLTHEONI-IBEHDNSVSA-N 2 2 359.474 0.866 10 0 FCAELP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001282091971 1261337204 /nfs/dbraw/zinc/33/72/04/1261337204.db2.gz QIKOZSXLTHEONI-IBEHDNSVSA-N 2 2 359.474 0.866 10 0 FCAELP [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001332432180 1266402318 /nfs/dbraw/zinc/40/23/18/1266402318.db2.gz RWHQUTFGOXLEIQ-HZPDHXFCSA-N 2 2 374.489 0.479 10 0 FCAELP [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001332432180 1266402322 /nfs/dbraw/zinc/40/23/22/1266402322.db2.gz RWHQUTFGOXLEIQ-HZPDHXFCSA-N 2 2 374.489 0.479 10 0 FCAELP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001282138616 1261353033 /nfs/dbraw/zinc/35/30/33/1261353033.db2.gz PIIVZSYHTFAAEB-OWCLPIDISA-N 2 2 361.490 0.848 10 0 FCAELP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001282138616 1261353039 /nfs/dbraw/zinc/35/30/39/1261353039.db2.gz PIIVZSYHTFAAEB-OWCLPIDISA-N 2 2 361.490 0.848 10 0 FCAELP [NH3+][C@H]1CCCC[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001332432179 1266403009 /nfs/dbraw/zinc/40/30/09/1266403009.db2.gz RWHQUTFGOXLEIQ-HOTGVXAUSA-N 2 2 374.489 0.479 10 0 FCAELP [NH3+][C@H]1CCCC[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001332432179 1266403016 /nfs/dbraw/zinc/40/30/16/1266403016.db2.gz RWHQUTFGOXLEIQ-HOTGVXAUSA-N 2 2 374.489 0.479 10 0 FCAELP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001282188486 1261374797 /nfs/dbraw/zinc/37/47/97/1261374797.db2.gz PZBOLWCERXYOGY-GDBMZVCRSA-N 2 2 363.462 0.028 10 0 FCAELP C[NH+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC001282297946 1261407034 /nfs/dbraw/zinc/40/70/34/1261407034.db2.gz OUAUGKLTRVHBRP-SJORKVTESA-N 2 2 361.490 0.922 10 0 FCAELP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001282497022 1261487746 /nfs/dbraw/zinc/48/77/46/1261487746.db2.gz SBBNTLJOEILTDX-BZUAXINKSA-N 2 2 361.490 0.515 10 0 FCAELP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001282497022 1261487753 /nfs/dbraw/zinc/48/77/53/1261487753.db2.gz SBBNTLJOEILTDX-BZUAXINKSA-N 2 2 361.490 0.515 10 0 FCAELP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001282541654 1261517148 /nfs/dbraw/zinc/51/71/48/1261517148.db2.gz IZWYENZZADBOAV-FVQBIDKESA-N 2 2 361.490 0.813 10 0 FCAELP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001282541654 1261517154 /nfs/dbraw/zinc/51/71/54/1261517154.db2.gz IZWYENZZADBOAV-FVQBIDKESA-N 2 2 361.490 0.813 10 0 FCAELP C[C@@H]1[C@H](C(=O)N2CCC(C)(CNC(=O)Cn3cc[nH+]c3)CC2)CC[N@@H+]1C ZINC001286149033 1261919218 /nfs/dbraw/zinc/91/92/18/1261919218.db2.gz KVYKPVNXQBNVMD-HZPDHXFCSA-N 2 2 361.490 0.968 10 0 FCAELP C[C@@H]1[C@H](C(=O)N2CCC(C)(CNC(=O)Cn3cc[nH+]c3)CC2)CC[N@H+]1C ZINC001286149033 1261919222 /nfs/dbraw/zinc/91/92/22/1261919222.db2.gz KVYKPVNXQBNVMD-HZPDHXFCSA-N 2 2 361.490 0.968 10 0 FCAELP C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)NC(=O)C[N@H+](C)C1CCC1 ZINC001287722939 1261971010 /nfs/dbraw/zinc/97/10/10/1261971010.db2.gz VBRUOIUMNOASIE-FVQBIDKESA-N 2 2 361.490 0.971 10 0 FCAELP C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001287722939 1261971017 /nfs/dbraw/zinc/97/10/17/1261971017.db2.gz VBRUOIUMNOASIE-FVQBIDKESA-N 2 2 361.490 0.971 10 0 FCAELP C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCO1 ZINC001288590375 1262026172 /nfs/dbraw/zinc/02/61/72/1262026172.db2.gz SLFPERKJRFUFQZ-RRFJBIMHSA-N 2 2 363.462 0.199 10 0 FCAELP C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCO1 ZINC001288590375 1262026179 /nfs/dbraw/zinc/02/61/79/1262026179.db2.gz SLFPERKJRFUFQZ-RRFJBIMHSA-N 2 2 363.462 0.199 10 0 FCAELP C[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@H]21 ZINC001288993528 1262061913 /nfs/dbraw/zinc/06/19/13/1262061913.db2.gz SRFRFXXNZSKOJG-YQQAZPJKSA-N 2 2 359.474 0.457 10 0 FCAELP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001289363417 1262184415 /nfs/dbraw/zinc/18/44/15/1262184415.db2.gz OOULLJJGOWVGKE-HZPDHXFCSA-N 2 2 359.474 0.722 10 0 FCAELP CC[NH+](CC)CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001289801828 1262344258 /nfs/dbraw/zinc/34/42/58/1262344258.db2.gz LCRUQIJJFQDSDC-ZMSDIMECSA-N 2 2 361.490 0.989 10 0 FCAELP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@]2(C)C1 ZINC001290829798 1262515680 /nfs/dbraw/zinc/51/56/80/1262515680.db2.gz LTTIIAPTNIBXOC-BEFAXECRSA-N 2 2 361.490 0.610 10 0 FCAELP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@]2(C)C1 ZINC001290829798 1262515688 /nfs/dbraw/zinc/51/56/88/1262515688.db2.gz LTTIIAPTNIBXOC-BEFAXECRSA-N 2 2 361.490 0.610 10 0 FCAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[NH+](C)[C@@H]3CCC[C@H]3O)CC2)CC1 ZINC001299521281 1262965963 /nfs/dbraw/zinc/96/59/63/1262965963.db2.gz RJMAAZLFGKVHMX-RTBURBONSA-N 3 2 366.550 0.850 10 0 FCAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[NH+](C)[C@@H]3CCC[C@H]3O)CC2)CC1 ZINC001299521281 1262965969 /nfs/dbraw/zinc/96/59/69/1262965969.db2.gz RJMAAZLFGKVHMX-RTBURBONSA-N 3 2 366.550 0.850 10 0 FCAELP CC[NH+]1CCC([NH+]2CCCN(C(=O)C[N@H+](C)[C@@H]3CCC[C@H]3O)CC2)CC1 ZINC001299521281 1262965974 /nfs/dbraw/zinc/96/59/74/1262965974.db2.gz RJMAAZLFGKVHMX-RTBURBONSA-N 3 2 366.550 0.850 10 0 FCAELP CC[NH+]1CCC([NH+]2CCCN(C(=O)C[N@@H+](C)[C@@H]3CCC[C@H]3O)CC2)CC1 ZINC001299521281 1262965980 /nfs/dbraw/zinc/96/59/80/1262965980.db2.gz RJMAAZLFGKVHMX-RTBURBONSA-N 3 2 366.550 0.850 10 0 FCAELP Cn1nncc1C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001479451960 1263203875 /nfs/dbraw/zinc/20/38/75/1263203875.db2.gz HZAJRNDEUAFVPG-LSDHHAIUSA-N 2 2 371.489 0.965 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001479636940 1263284730 /nfs/dbraw/zinc/28/47/30/1263284730.db2.gz MZLGITAISHJJCZ-GXTWGEPZSA-N 2 2 358.402 0.341 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+]1CC(=O)NC(N)=O ZINC001479636940 1263284740 /nfs/dbraw/zinc/28/47/40/1263284740.db2.gz MZLGITAISHJJCZ-GXTWGEPZSA-N 2 2 358.402 0.341 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC(=O)NCc1ccco1 ZINC001479646957 1263303487 /nfs/dbraw/zinc/30/34/87/1263303487.db2.gz UTUCTDUWBDUNTA-DLBZAZTESA-N 2 2 362.474 0.961 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC(=O)NCc1ccco1 ZINC001479646957 1263303496 /nfs/dbraw/zinc/30/34/96/1263303496.db2.gz UTUCTDUWBDUNTA-DLBZAZTESA-N 2 2 362.474 0.961 10 0 FCAELP C[C@H](C(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)[C@@H]1C)[NH+]1CCCCCC1 ZINC001479721584 1263391390 /nfs/dbraw/zinc/39/13/90/1263391390.db2.gz SDFUVIQKIQCCKQ-MCIONIFRSA-N 2 2 353.467 0.025 10 0 FCAELP C[C@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)[C@@H]1C)[NH+]1CCCCCC1 ZINC001479721584 1263391401 /nfs/dbraw/zinc/39/14/01/1263391401.db2.gz SDFUVIQKIQCCKQ-MCIONIFRSA-N 2 2 353.467 0.025 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCO[C@H]2CCOC2)C1 ZINC001480223516 1263426831 /nfs/dbraw/zinc/42/68/31/1263426831.db2.gz FXNAJJMYNSYTHU-DMRKSPOLSA-N 2 2 362.474 0.956 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)CC(=O)NC[C@H]2CCCO2)CC[N@@H+]1C ZINC001482597260 1263442545 /nfs/dbraw/zinc/44/25/45/1263442545.db2.gz UYJUPCJZEGYYSE-IXDOHACOSA-N 2 2 368.522 0.402 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)CC(=O)NC[C@H]2CCCO2)CC[N@H+]1C ZINC001482597260 1263442552 /nfs/dbraw/zinc/44/25/52/1263442552.db2.gz UYJUPCJZEGYYSE-IXDOHACOSA-N 2 2 368.522 0.402 10 0 FCAELP 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C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001317393385 1263508824 /nfs/dbraw/zinc/50/88/24/1263508824.db2.gz QRINDWDUFYCBHW-UMVBOHGHSA-N 2 2 360.462 0.347 10 0 FCAELP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001317393385 1263508827 /nfs/dbraw/zinc/50/88/27/1263508827.db2.gz QRINDWDUFYCBHW-UMVBOHGHSA-N 2 2 360.462 0.347 10 0 FCAELP CN(C[C@@H](O)C[NH2+]CC(=O)NCC(C)(C)C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001486283206 1263529692 /nfs/dbraw/zinc/52/96/92/1263529692.db2.gz SDLVZOUSHGHNCO-BFHYXJOUSA-N 2 2 365.478 0.084 10 0 FCAELP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CCN1C(=O)CCC1=O ZINC001318575893 1263588849 /nfs/dbraw/zinc/58/88/49/1263588849.db2.gz KXKHYQPZSZSZPF-BFHYXJOUSA-N 2 2 361.446 0.157 10 0 FCAELP CCN(C(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)C1CC1 ZINC001491809951 1263625047 /nfs/dbraw/zinc/62/50/47/1263625047.db2.gz CZFJDKYKDPFTOF-FVQBIDKESA-N 2 2 359.474 0.962 10 0 FCAELP 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C[C@@]1(C[NH2+]CCN2CCNC2=O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001500353880 1264065983 /nfs/dbraw/zinc/06/59/83/1264065983.db2.gz GHUKNRKWVQZAII-LBTNJELSSA-N 2 2 360.462 0.367 10 0 FCAELP C[C@@]1(C[NH2+]CCN2CCNC2=O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001500353880 1264065991 /nfs/dbraw/zinc/06/59/91/1264065991.db2.gz GHUKNRKWVQZAII-LBTNJELSSA-N 2 2 360.462 0.367 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1(C)CC[NH+](CCOCCO)CC1 ZINC001500448597 1264069163 /nfs/dbraw/zinc/06/91/63/1264069163.db2.gz RBCLRXGRMLSILY-HZPDHXFCSA-N 2 2 364.490 0.751 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC/C=C\CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC[N@@H+]1C ZINC001501877174 1264148824 /nfs/dbraw/zinc/14/88/24/1264148824.db2.gz HMVWKQJLBXJFIF-TZGBVXRMSA-N 2 2 359.474 0.574 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC/C=C\CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC[N@H+]1C ZINC001501877174 1264148825 /nfs/dbraw/zinc/14/88/25/1264148825.db2.gz HMVWKQJLBXJFIF-TZGBVXRMSA-N 2 2 359.474 0.574 10 0 FCAELP C[C@@H](C[N@H+](C)Cc1cc(=O)n2[nH]ccc2n1)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001322160560 1264156945 /nfs/dbraw/zinc/15/69/45/1264156945.db2.gz MYDLIGQTFWMMIZ-GZBFAFLISA-N 2 2 360.462 0.299 10 0 FCAELP C[C@@H](C[N@@H+](C)Cc1cc(=O)n2[nH]ccc2n1)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001322160560 1264156952 /nfs/dbraw/zinc/15/69/52/1264156952.db2.gz MYDLIGQTFWMMIZ-GZBFAFLISA-N 2 2 360.462 0.299 10 0 FCAELP C[C@@H](C[NH+](C)Cc1cc(=O)n2[nH]ccc2n1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001322160560 1264156955 /nfs/dbraw/zinc/15/69/55/1264156955.db2.gz MYDLIGQTFWMMIZ-GZBFAFLISA-N 2 2 360.462 0.299 10 0 FCAELP C[C@@H](C[NH+](C)Cc1cc(=O)n2[nH]ccc2n1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001322160560 1264156958 /nfs/dbraw/zinc/15/69/58/1264156958.db2.gz MYDLIGQTFWMMIZ-GZBFAFLISA-N 2 2 360.462 0.299 10 0 FCAELP CC1([NH2+]CCNS(C)(=O)=O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001502784293 1264182511 /nfs/dbraw/zinc/18/25/11/1264182511.db2.gz LWTQBVDLYIJAMT-CHWSQXEVSA-N 2 2 369.491 0.033 10 0 FCAELP CC1([NH2+]CCNS(C)(=O)=O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001502784293 1264182516 /nfs/dbraw/zinc/18/25/16/1264182516.db2.gz LWTQBVDLYIJAMT-CHWSQXEVSA-N 2 2 369.491 0.033 10 0 FCAELP Cn1nccc1C[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001502873414 1264185186 /nfs/dbraw/zinc/18/51/86/1264185186.db2.gz RKDUTMZHZXCLAV-HUUCEWRRSA-N 2 2 358.446 0.390 10 0 FCAELP Cn1nccc1C[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001502873414 1264185191 /nfs/dbraw/zinc/18/51/91/1264185191.db2.gz RKDUTMZHZXCLAV-HUUCEWRRSA-N 2 2 358.446 0.390 10 0 FCAELP C[C@H]1CN(C(=O)C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC001322554273 1264217624 /nfs/dbraw/zinc/21/76/24/1264217624.db2.gz HKCNRZVIQBQZPV-RRFJBIMHSA-N 2 2 363.462 0.199 10 0 FCAELP C[C@H]1CN(C(=O)C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCO1 ZINC001322554273 1264217627 /nfs/dbraw/zinc/21/76/27/1264217627.db2.gz HKCNRZVIQBQZPV-RRFJBIMHSA-N 2 2 363.462 0.199 10 0 FCAELP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc2nc(C3CC3)no2)CC[N@@H+]1C ZINC001507477911 1264364189 /nfs/dbraw/zinc/36/41/89/1264364189.db2.gz AXGBKFPFLCBZBZ-KWCYVHTRSA-N 2 2 351.451 0.196 10 0 FCAELP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc2nc(C3CC3)no2)CC[N@H+]1C ZINC001507477911 1264364195 /nfs/dbraw/zinc/36/41/95/1264364195.db2.gz AXGBKFPFLCBZBZ-KWCYVHTRSA-N 2 2 351.451 0.196 10 0 FCAELP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001513231360 1264978589 /nfs/dbraw/zinc/97/85/89/1264978589.db2.gz OWBQXCREMKSJKJ-XOKHGSTOSA-N 2 2 359.474 0.647 10 0 FCAELP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001513231360 1264978596 /nfs/dbraw/zinc/97/85/96/1264978596.db2.gz OWBQXCREMKSJKJ-XOKHGSTOSA-N 2 2 359.474 0.647 10 0 FCAELP [NH3+]CC1(CCNC(=O)C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC001326591158 1265138089 /nfs/dbraw/zinc/13/80/89/1265138089.db2.gz OTLPQTJKXDLYTN-UHFFFAOYSA-N 2 2 355.442 0.793 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@@]4(CNC(=O)C4)C3)CC2)CC1 ZINC001326726122 1265158559 /nfs/dbraw/zinc/15/85/59/1265158559.db2.gz TZYZZXZYMUTZHN-LJQANCHMSA-N 2 2 363.506 0.467 10 0 FCAELP CN1CC[NH+](CCCCNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC001327052572 1265226087 /nfs/dbraw/zinc/22/60/87/1265226087.db2.gz JDULSHFTJZWXSO-UHFFFAOYSA-N 2 2 358.446 0.417 10 0 FCAELP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001514420262 1265350727 /nfs/dbraw/zinc/35/07/27/1265350727.db2.gz SYZLTZYZZGENMA-HUUCEWRRSA-N 2 2 351.451 0.005 10 0 FCAELP CC[NH+]1CCN(C2CN(C(=O)[C@@]3([NH+](C)C)COc4ccccc4C3)C2)CC1 ZINC001522289148 1266469653 /nfs/dbraw/zinc/46/96/53/1266469653.db2.gz LIJSKEKBMYMBCQ-NRFANRHFSA-N 2 2 372.513 0.770 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)N[C@H]([C@@H](O)c4cccnc4)C3=O)C2)CC1 ZINC001332864855 1266496059 /nfs/dbraw/zinc/49/60/59/1266496059.db2.gz FKOFSELZUBRQIA-BBWFWOEESA-N 2 2 373.457 0.204 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)N[C@H]([C@@H](O)c4cccnc4)C3=O)C2)CC1 ZINC001332864855 1266496064 /nfs/dbraw/zinc/49/60/64/1266496064.db2.gz FKOFSELZUBRQIA-BBWFWOEESA-N 2 2 373.457 0.204 10 0 FCAELP C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCO1 ZINC001333118564 1266537852 /nfs/dbraw/zinc/53/78/52/1266537852.db2.gz MSVWDWWXGDHWQZ-HNNXBMFYSA-N 2 2 366.506 0.299 10 0 FCAELP CC[NH+](CC)CC[C@H](C)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001522840447 1266586366 /nfs/dbraw/zinc/58/63/66/1266586366.db2.gz RXZJOUBOYYBFEB-DLBZAZTESA-N 2 2 368.522 0.404 10 0 FCAELP Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)C[C@]1(O)CCC[N@@H+](C)C1)C2 ZINC001334140265 1266850507 /nfs/dbraw/zinc/85/05/07/1266850507.db2.gz QIMBIGWQIDKBJS-KBXCAEBGSA-N 2 2 350.463 0.004 10 0 FCAELP Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)C[C@]1(O)CCC[N@H+](C)C1)C2 ZINC001334140265 1266850522 /nfs/dbraw/zinc/85/05/22/1266850522.db2.gz QIMBIGWQIDKBJS-KBXCAEBGSA-N 2 2 350.463 0.004 10 0 FCAELP COC(=O)c1c(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)nc2n1CCC2 ZINC001526897256 1266851432 /nfs/dbraw/zinc/85/14/32/1266851432.db2.gz RAKVWWXPNLOSPT-UHFFFAOYSA-N 2 2 366.466 0.621 10 0 FCAELP COC(=O)c1c(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)nc2n1CCC2 ZINC001526897256 1266851444 /nfs/dbraw/zinc/85/14/44/1266851444.db2.gz RAKVWWXPNLOSPT-UHFFFAOYSA-N 2 2 366.466 0.621 10 0 FCAELP O=C(NCCCCn1cc[nH+]c1)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001527419797 1266899393 /nfs/dbraw/zinc/89/93/93/1266899393.db2.gz BLTVBIHOWKTJGZ-DOTOQJQBSA-N 2 2 351.451 0.188 10 0 FCAELP O=C(NCCCCn1cc[nH+]c1)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001527419797 1266899404 /nfs/dbraw/zinc/89/94/04/1266899404.db2.gz BLTVBIHOWKTJGZ-DOTOQJQBSA-N 2 2 351.451 0.188 10 0 FCAELP CO[C@H]1C[C@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC001334653059 1267123182 /nfs/dbraw/zinc/12/31/82/1267123182.db2.gz IKNHJEZFQDCFDG-KOMQPUFPSA-N 2 2 354.495 0.012 10 0 FCAELP CO[C@H]1C[C@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC001334653059 1267123185 /nfs/dbraw/zinc/12/31/85/1267123185.db2.gz IKNHJEZFQDCFDG-KOMQPUFPSA-N 2 2 354.495 0.012 10 0 FCAELP CCO[C@H](CNC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)C[NH+](C)C ZINC001334841273 1267197557 /nfs/dbraw/zinc/19/75/57/1267197557.db2.gz PDWYWHQWQPYZST-WBVHZDCISA-N 2 2 362.474 0.372 10 0 FCAELP CCO[C@H](CNC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)C[NH+](C)C ZINC001334841273 1267197558 /nfs/dbraw/zinc/19/75/58/1267197558.db2.gz PDWYWHQWQPYZST-WBVHZDCISA-N 2 2 362.474 0.372 10 0 FCAELP CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](CO)c2c[nH+]cn2C)[C@@H](c2cnn(C)c2)C1 ZINC001339005817 1268146383 /nfs/dbraw/zinc/14/63/83/1268146383.db2.gz KMKLUNRRVLBKDZ-BBWFWOEESA-N 2 2 374.489 0.817 10 0 FCAELP CC(C)[N@H+]1CC[C@H](C(=O)N[C@@H](CO)c2c[nH+]cn2C)[C@@H](c2cnn(C)c2)C1 ZINC001339005817 1268146388 /nfs/dbraw/zinc/14/63/88/1268146388.db2.gz KMKLUNRRVLBKDZ-BBWFWOEESA-N 2 2 374.489 0.817 10 0 FCAELP C[C@H]1C[C@H](N(C)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001339728540 1268313300 /nfs/dbraw/zinc/31/33/00/1268313300.db2.gz SPFMFQOOZHNJBP-GOEBONIOSA-N 2 2 374.551 0.620 10 0 FCAELP C[C@H]1C[C@H](N(C)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001339728540 1268313314 /nfs/dbraw/zinc/31/33/14/1268313314.db2.gz SPFMFQOOZHNJBP-GOEBONIOSA-N 2 2 374.551 0.620 10 0 FCAELP CO[C@@H]1CC[C@H]1N(C)C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001340617004 1268605072 /nfs/dbraw/zinc/60/50/72/1268605072.db2.gz UTIQFKBFOWIBSW-IAGOWNOFSA-N 2 2 366.506 0.297 10 0 FCAELP C[C@H]1C[C@H](NC(=O)C(=O)NCc2nc(C[NH+](C)C)cs2)CC[N@@H+]1C ZINC001340694686 1268626334 /nfs/dbraw/zinc/62/63/34/1268626334.db2.gz RKPFJOVLEFXDHV-NWDGAFQWSA-N 2 2 353.492 0.420 10 0 FCAELP C[C@H]1C[C@H](NC(=O)C(=O)NCc2nc(C[NH+](C)C)cs2)CC[N@H+]1C ZINC001340694686 1268626341 /nfs/dbraw/zinc/62/63/41/1268626341.db2.gz RKPFJOVLEFXDHV-NWDGAFQWSA-N 2 2 353.492 0.420 10 0 FCAELP CN(C[C@H](O)C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1)CC(F)(F)F ZINC001559894988 1269178504 /nfs/dbraw/zinc/17/85/04/1269178504.db2.gz KKTSNSWZVDJTLC-AWEZNQCLSA-N 2 2 353.429 0.668 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[N@@H+]1CCCS(=O)(=O)CC ZINC001566016744 1269553355 /nfs/dbraw/zinc/55/33/55/1269553355.db2.gz BCLOYUHWYDDDGQ-JKSUJKDBSA-N 2 2 370.519 0.985 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[N@H+]1CCCS(=O)(=O)CC ZINC001566016744 1269553360 /nfs/dbraw/zinc/55/33/60/1269553360.db2.gz BCLOYUHWYDDDGQ-JKSUJKDBSA-N 2 2 370.519 0.985 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC[N@@H+]1CC(=O)NC(N)=O ZINC001566028764 1269564736 /nfs/dbraw/zinc/56/47/36/1269564736.db2.gz DNGNXRGWZUGKPB-MJBXVCDLSA-N 2 2 353.467 0.025 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC[N@H+]1CC(=O)NC(N)=O ZINC001566028764 1269564738 /nfs/dbraw/zinc/56/47/38/1269564738.db2.gz DNGNXRGWZUGKPB-MJBXVCDLSA-N 2 2 353.467 0.025 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC[NH+]1CC(=O)NC(N)=O ZINC001566028764 1269564745 /nfs/dbraw/zinc/56/47/45/1269564745.db2.gz DNGNXRGWZUGKPB-MJBXVCDLSA-N 2 2 353.467 0.025 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC[NH+]1CC(=O)NC(N)=O ZINC001566028764 1269564751 /nfs/dbraw/zinc/56/47/51/1269564751.db2.gz DNGNXRGWZUGKPB-MJBXVCDLSA-N 2 2 353.467 0.025 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCOCCO)C1 ZINC001566075045 1269591569 /nfs/dbraw/zinc/59/15/69/1269591569.db2.gz PEOUMZSRSAMYCE-GVDBMIGSSA-N 2 2 364.490 0.893 10 0 FCAELP C[C@H]1COCC[C@H]1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001342764247 1269596166 /nfs/dbraw/zinc/59/61/66/1269596166.db2.gz AZTJBENCJDDIGB-GOEBONIOSA-N 2 2 354.495 0.012 10 0 FCAELP C[C@H]1COCC[C@H]1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001342764247 1269596171 /nfs/dbraw/zinc/59/61/71/1269596171.db2.gz AZTJBENCJDDIGB-GOEBONIOSA-N 2 2 354.495 0.012 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH+]2CC(=O)NCC2CC2)CC[N@@H+]1C ZINC001566921955 1269668871 /nfs/dbraw/zinc/66/88/71/1269668871.db2.gz UJSSCWXISXDMKT-DJIMGWMZSA-N 2 2 350.507 0.824 10 0 FCAELP 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C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cncs1 ZINC001119770281 847970948 /nfs/dbraw/zinc/97/09/48/847970948.db2.gz SFTHTQXWHOAYTL-QWHCGFSZSA-N 2 2 365.503 0.605 10 0 FCAELP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cncs1 ZINC001119770281 847970955 /nfs/dbraw/zinc/97/09/55/847970955.db2.gz SFTHTQXWHOAYTL-QWHCGFSZSA-N 2 2 365.503 0.605 10 0 FCAELP C/C(=C/C(=O)N[C@@H]1CCC[C@@H]1[NH+]1CCC(O)CC1)C[NH+]1CCOCC1 ZINC001123861857 848646941 /nfs/dbraw/zinc/64/69/41/848646941.db2.gz KPUXGIMQCXPFJR-XRSVIKRQSA-N 2 2 351.491 0.759 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CN(C(=O)C(C)(C)C)CCO1 ZINC001146890341 849569789 /nfs/dbraw/zinc/56/97/89/849569789.db2.gz FOVHFYBFVWQMMA-OAHLLOKOSA-N 2 2 356.511 0.260 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CN(C(=O)C(C)(C)C)CCO1 ZINC001146890341 849569791 /nfs/dbraw/zinc/56/97/91/849569791.db2.gz FOVHFYBFVWQMMA-OAHLLOKOSA-N 2 2 356.511 0.260 10 0 FCAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001263933147 859248663 /nfs/dbraw/zinc/24/86/63/859248663.db2.gz NRMBNNCRRZJEEX-SOUVJXGZSA-N 2 2 354.476 0.192 10 0 FCAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001264006831 859278022 /nfs/dbraw/zinc/27/80/22/859278022.db2.gz MPZOSMNKTGRNQM-HIFRSBDPSA-N 2 2 370.519 0.912 10 0 FCAELP CCO[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C[NH2+]CC(=O)NC ZINC001264535182 859377342 /nfs/dbraw/zinc/37/73/42/859377342.db2.gz XEKUHRJGHIRKAB-RBSFLKMASA-N 2 2 351.451 0.033 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC[N@@H+]1CC(=O)NC(N)=O ZINC001264607436 859395367 /nfs/dbraw/zinc/39/53/67/859395367.db2.gz GIRTYPKRYFRWDE-MJBXVCDLSA-N 2 2 353.467 0.023 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC[N@H+]1CC(=O)NC(N)=O ZINC001264607436 859395376 /nfs/dbraw/zinc/39/53/76/859395376.db2.gz GIRTYPKRYFRWDE-MJBXVCDLSA-N 2 2 353.467 0.023 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC[NH+]1CC(=O)NC(N)=O ZINC001264607436 859395382 /nfs/dbraw/zinc/39/53/82/859395382.db2.gz GIRTYPKRYFRWDE-MJBXVCDLSA-N 2 2 353.467 0.023 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC[NH+]1CC(=O)NC(N)=O ZINC001264607436 859395391 /nfs/dbraw/zinc/39/53/91/859395391.db2.gz GIRTYPKRYFRWDE-MJBXVCDLSA-N 2 2 353.467 0.023 10 0 FCAELP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC2(CS(C)(=O)=O)CC2)[C@@H]1C)[NH+](C)C ZINC001264727668 859441590 /nfs/dbraw/zinc/44/15/90/859441590.db2.gz TUCNHHPDNOWPIS-QLFBSQMISA-N 2 2 359.536 0.730 10 0 FCAELP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC2(CS(C)(=O)=O)CC2)[C@@H]1C)[NH+](C)C ZINC001264727668 859441597 /nfs/dbraw/zinc/44/15/97/859441597.db2.gz TUCNHHPDNOWPIS-QLFBSQMISA-N 2 2 359.536 0.730 10 0 FCAELP COC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001265550376 859462313 /nfs/dbraw/zinc/46/23/13/859462313.db2.gz BUKGSUHKBJSYBV-UUAJXVIYSA-N 2 2 355.479 0.138 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+]2CCNC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001269234637 859545504 /nfs/dbraw/zinc/54/55/04/859545504.db2.gz BWKFZKUYEMRPQD-QLFBSQMISA-N 2 2 353.511 0.615 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+]2CCNC(=O)NC(C)(C)C)CC[N@H+]1C ZINC001269234637 859545512 /nfs/dbraw/zinc/54/55/12/859545512.db2.gz BWKFZKUYEMRPQD-QLFBSQMISA-N 2 2 353.511 0.615 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCNC(=O)NC(C)(C)C)CC[NH+]1C ZINC001269234637 859545521 /nfs/dbraw/zinc/54/55/21/859545521.db2.gz BWKFZKUYEMRPQD-QLFBSQMISA-N 2 2 353.511 0.615 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCNC(=O)NC(C)(C)C)CC[NH+]1C ZINC001269234637 859545525 /nfs/dbraw/zinc/54/55/25/859545525.db2.gz BWKFZKUYEMRPQD-QLFBSQMISA-N 2 2 353.511 0.615 10 0 FCAELP CCc1nnc([C@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)o1 ZINC001272169383 860105844 /nfs/dbraw/zinc/10/58/44/860105844.db2.gz USJNBPBVQPRMBE-BFHYXJOUSA-N 2 2 353.467 0.444 10 0 FCAELP CCc1nnc([C@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)o1 ZINC001272169383 860105849 /nfs/dbraw/zinc/10/58/49/860105849.db2.gz USJNBPBVQPRMBE-BFHYXJOUSA-N 2 2 353.467 0.444 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCC2([NH2+]Cc3nc(N(C)C)no3)CCC2)CC[N@@H+]1C ZINC001273084131 860368310 /nfs/dbraw/zinc/36/83/10/860368310.db2.gz CNWDXRKRLRUTRB-CHWSQXEVSA-N 2 2 350.467 0.604 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCC2([NH2+]Cc3nc(N(C)C)no3)CCC2)CC[N@H+]1C ZINC001273084131 860368322 /nfs/dbraw/zinc/36/83/22/860368322.db2.gz CNWDXRKRLRUTRB-CHWSQXEVSA-N 2 2 350.467 0.604 10 0 FCAELP CCc1nnc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)s1 ZINC001283759743 864517563 /nfs/dbraw/zinc/51/75/63/864517563.db2.gz KMLGWNZCMRLJPD-FRRDWIJNSA-N 2 2 355.508 0.398 10 0 FCAELP CCc1nnc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)s1 ZINC001283759743 864517574 /nfs/dbraw/zinc/51/75/74/864517574.db2.gz KMLGWNZCMRLJPD-FRRDWIJNSA-N 2 2 355.508 0.398 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](C[NH2+]CCS(C)(=O)=O)C(C)(C)C ZINC001284632864 864584752 /nfs/dbraw/zinc/58/47/52/864584752.db2.gz TWDZOKCCZKGOGZ-NFAWXSAZSA-N 2 2 370.519 0.689 10 0 FCAELP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CCO[C@H](C[NH+]4CCOCC4)C3)C[N@@H+]2C1 ZINC001352485815 867152754 /nfs/dbraw/zinc/15/27/54/867152754.db2.gz KPWZFMCHTPJQET-ZJPYXAASSA-N 2 2 351.491 0.666 10 0 FCAELP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CCO[C@H](C[NH+]4CCOCC4)C3)C[N@H+]2C1 ZINC001352485815 867152763 /nfs/dbraw/zinc/15/27/63/867152763.db2.gz KPWZFMCHTPJQET-ZJPYXAASSA-N 2 2 351.491 0.666 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CC(=O)N[C@@H](C)C(C)C)C2)CC[N@@H+]1C ZINC001318121310 867611323 /nfs/dbraw/zinc/61/13/23/867611323.db2.gz HPDZXVKKOWJEFY-BHYGNILZSA-N 2 2 352.523 0.925 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CC(=O)N[C@@H](C)C(C)C)C2)CC[N@H+]1C ZINC001318121310 867611327 /nfs/dbraw/zinc/61/13/27/867611327.db2.gz HPDZXVKKOWJEFY-BHYGNILZSA-N 2 2 352.523 0.925 10 0 FCAELP O=C(NC/C=C\C[NH2+]CC[C@H]1CCS(=O)(=O)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001321097813 868366534 /nfs/dbraw/zinc/36/65/34/868366534.db2.gz QLXPDWIJJAOXDS-PPVKQBOPSA-N 2 2 366.487 0.600 10 0 FCAELP O=C(NC/C=C\C[NH2+]CC[C@H]1CCS(=O)(=O)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001321097813 868366543 /nfs/dbraw/zinc/36/65/43/868366543.db2.gz QLXPDWIJJAOXDS-PPVKQBOPSA-N 2 2 366.487 0.600 10 0 FCAELP CN(C(=O)NCCC1CS(=O)(=O)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001321722940 868585607 /nfs/dbraw/zinc/58/56/07/868585607.db2.gz RGGNZILLENRQTM-INIZCTEOSA-N 2 2 372.535 0.231 10 0 FCAELP CN(C(=O)NCCC1CS(=O)(=O)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001321722940 868585609 /nfs/dbraw/zinc/58/56/09/868585609.db2.gz RGGNZILLENRQTM-INIZCTEOSA-N 2 2 372.535 0.231 10 0 FCAELP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001322285883 868781699 /nfs/dbraw/zinc/78/16/99/868781699.db2.gz FCKUJRIVTUUCSV-MRXNPFEDSA-N 2 2 357.520 0.297 10 0 FCAELP CCOC[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001327363119 870816523 /nfs/dbraw/zinc/81/65/23/870816523.db2.gz HVPTUQRYGXJVBM-GOEBONIOSA-N 2 2 354.495 0.155 10 0 FCAELP CCOC[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001327363119 870816526 /nfs/dbraw/zinc/81/65/26/870816526.db2.gz HVPTUQRYGXJVBM-GOEBONIOSA-N 2 2 354.495 0.155 10 0 FCAELP Cn1cc(N2CC[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C2)cn1 ZINC001327689690 871014547 /nfs/dbraw/zinc/01/45/47/871014547.db2.gz WSJMGYMDONUKCH-OAHLLOKOSA-N 2 2 351.499 0.182 10 0 FCAELP Cn1cc(N2CC[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C2)cn1 ZINC001327689690 871014567 /nfs/dbraw/zinc/01/45/67/871014567.db2.gz WSJMGYMDONUKCH-OAHLLOKOSA-N 2 2 351.499 0.182 10 0 FCAELP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001345452111 871350368 /nfs/dbraw/zinc/35/03/68/871350368.db2.gz WUEMDOLCVYCWIA-KFWWJZLASA-N 2 2 353.442 0.669 10 0 FCAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001348749693 872784683 /nfs/dbraw/zinc/78/46/83/872784683.db2.gz ZIGRXCQTFXBJOH-RLFYNMQTSA-N 2 2 350.463 0.739 10 0 FCAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001348749693 872784685 /nfs/dbraw/zinc/78/46/85/872784685.db2.gz ZIGRXCQTFXBJOH-RLFYNMQTSA-N 2 2 350.463 0.739 10 0 FCAELP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)NCCOc3ccc4c(c3)OCO4)C2)C1 ZINC000292091596 214076978 /nfs/dbraw/zinc/07/69/78/214076978.db2.gz GTVUMCWZKQGNKN-LJQANCHMSA-N 2 2 361.442 0.938 10 0 FCAELP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)NCCOc3ccc4c(c3)OCO4)C2)C1 ZINC000292091596 214076980 /nfs/dbraw/zinc/07/69/80/214076980.db2.gz GTVUMCWZKQGNKN-LJQANCHMSA-N 2 2 361.442 0.938 10 0 FCAELP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)NCCOc3ccc4c(c3)OCO4)C2)C1 ZINC000292091596 214076982 /nfs/dbraw/zinc/07/69/82/214076982.db2.gz GTVUMCWZKQGNKN-LJQANCHMSA-N 2 2 361.442 0.938 10 0 FCAELP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)NCCOc3ccc4c(c3)OCO4)C2)C1 ZINC000292091596 214076985 /nfs/dbraw/zinc/07/69/85/214076985.db2.gz GTVUMCWZKQGNKN-LJQANCHMSA-N 2 2 361.442 0.938 10 0 FCAELP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292089617 214077008 /nfs/dbraw/zinc/07/70/08/214077008.db2.gz GMWQLCQTYUHDGH-GUYCJALGSA-N 2 2 366.487 0.689 10 0 FCAELP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292089617 214077010 /nfs/dbraw/zinc/07/70/10/214077010.db2.gz GMWQLCQTYUHDGH-GUYCJALGSA-N 2 2 366.487 0.689 10 0 FCAELP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292089617 214077012 /nfs/dbraw/zinc/07/70/12/214077012.db2.gz GMWQLCQTYUHDGH-GUYCJALGSA-N 2 2 366.487 0.689 10 0 FCAELP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292089617 214077016 /nfs/dbraw/zinc/07/70/16/214077016.db2.gz GMWQLCQTYUHDGH-GUYCJALGSA-N 2 2 366.487 0.689 10 0 FCAELP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292088359 214077471 /nfs/dbraw/zinc/07/74/71/214077471.db2.gz GMWQLCQTYUHDGH-CXAGYDPISA-N 2 2 366.487 0.689 10 0 FCAELP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292088359 214077474 /nfs/dbraw/zinc/07/74/74/214077474.db2.gz GMWQLCQTYUHDGH-CXAGYDPISA-N 2 2 366.487 0.689 10 0 FCAELP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292088359 214077477 /nfs/dbraw/zinc/07/74/77/214077477.db2.gz GMWQLCQTYUHDGH-CXAGYDPISA-N 2 2 366.487 0.689 10 0 FCAELP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292088359 214077479 /nfs/dbraw/zinc/07/74/79/214077479.db2.gz GMWQLCQTYUHDGH-CXAGYDPISA-N 2 2 366.487 0.689 10 0 FCAELP O[C@H]1COCC[NH+](Cc2cc(C[N@H+]3CCOC[C@H](O)C3)ccc2F)C1 ZINC000295792023 214319258 /nfs/dbraw/zinc/31/92/58/214319258.db2.gz ZOCRNSDUYRFLBK-IAGOWNOFSA-N 2 2 354.422 0.212 10 0 FCAELP O[C@H]1COCC[NH+](Cc2cc(C[N@@H+]3CCOC[C@H](O)C3)ccc2F)C1 ZINC000295792023 214319261 /nfs/dbraw/zinc/31/92/61/214319261.db2.gz ZOCRNSDUYRFLBK-IAGOWNOFSA-N 2 2 354.422 0.212 10 0 FCAELP O[C@H]1COCC[NH+](Cc2ccc(F)c(C[N@@H+]3CCOC[C@H](O)C3)c2)C1 ZINC000295792023 214319266 /nfs/dbraw/zinc/31/92/66/214319266.db2.gz ZOCRNSDUYRFLBK-IAGOWNOFSA-N 2 2 354.422 0.212 10 0 FCAELP O[C@H]1COCC[NH+](Cc2ccc(F)c(C[N@H+]3CCOC[C@H](O)C3)c2)C1 ZINC000295792023 214319270 /nfs/dbraw/zinc/31/92/70/214319270.db2.gz ZOCRNSDUYRFLBK-IAGOWNOFSA-N 2 2 354.422 0.212 10 0 FCAELP O=C(NCc1ccc2c[nH+]cn2c1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000297398172 214396655 /nfs/dbraw/zinc/39/66/55/214396655.db2.gz XJUQVJOWONSRPD-INIZCTEOSA-N 2 2 371.441 0.131 10 0 FCAELP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000410485646 529907678 /nfs/dbraw/zinc/90/76/78/529907678.db2.gz QEBLZHRYGJMMFL-QGZVFWFLSA-N 2 2 366.506 0.254 10 0 FCAELP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000333679381 215307172 /nfs/dbraw/zinc/30/71/72/215307172.db2.gz ONECKKNUZKTQDB-OAGGEKHMSA-N 2 2 351.495 0.323 10 0 FCAELP C[C@@H]1C[C@H](NC(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2)C[N@@H+]1C1CC1 ZINC000284781794 213218461 /nfs/dbraw/zinc/21/84/61/213218461.db2.gz FMPGPBTTZHQCQO-HIFRSBDPSA-N 2 2 368.441 0.625 10 0 FCAELP C[C@@H]1C[C@H](NC(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2)C[N@H+]1C1CC1 ZINC000284781794 213218463 /nfs/dbraw/zinc/21/84/63/213218463.db2.gz FMPGPBTTZHQCQO-HIFRSBDPSA-N 2 2 368.441 0.625 10 0 FCAELP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000284692846 213198875 /nfs/dbraw/zinc/19/88/75/213198875.db2.gz FCRPXXXKGBVPTK-INIZCTEOSA-N 2 2 360.458 0.839 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000284139027 213083036 /nfs/dbraw/zinc/08/30/36/213083036.db2.gz VEPYKNQZRNJBEP-NXHRZFHOSA-N 2 2 374.485 0.385 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000284139027 213083039 /nfs/dbraw/zinc/08/30/39/213083039.db2.gz VEPYKNQZRNJBEP-NXHRZFHOSA-N 2 2 374.485 0.385 10 0 FCAELP CN(C)C(=O)C1([NH2+]CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000411914449 237099772 /nfs/dbraw/zinc/09/97/72/237099772.db2.gz QERBLKYTIWDFKK-UHFFFAOYSA-N 2 2 366.506 0.348 10 0 FCAELP Cc1ccc(NC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1S(N)(=O)=O ZINC000246584832 209394292 /nfs/dbraw/zinc/39/42/92/209394292.db2.gz SJQDSDURGORSJN-ZFWWWQNUSA-N 2 2 368.503 0.995 10 0 FCAELP Cc1ccc(NC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1S(N)(=O)=O ZINC000246584832 209394296 /nfs/dbraw/zinc/39/42/96/209394296.db2.gz SJQDSDURGORSJN-ZFWWWQNUSA-N 2 2 368.503 0.995 10 0 FCAELP Cc1ccc(NC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1S(N)(=O)=O ZINC000246584832 209394299 /nfs/dbraw/zinc/39/42/99/209394299.db2.gz SJQDSDURGORSJN-ZFWWWQNUSA-N 2 2 368.503 0.995 10 0 FCAELP Cc1ccc(NC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1S(N)(=O)=O ZINC000246584832 209394303 /nfs/dbraw/zinc/39/43/03/209394303.db2.gz SJQDSDURGORSJN-ZFWWWQNUSA-N 2 2 368.503 0.995 10 0 FCAELP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246567368 209394097 /nfs/dbraw/zinc/39/40/97/209394097.db2.gz RPBZTUWMYRHYFB-UONOGXRCSA-N 2 2 368.503 0.995 10 0 FCAELP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246567368 209394101 /nfs/dbraw/zinc/39/41/01/209394101.db2.gz RPBZTUWMYRHYFB-UONOGXRCSA-N 2 2 368.503 0.995 10 0 FCAELP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246567368 209394105 /nfs/dbraw/zinc/39/41/05/209394105.db2.gz RPBZTUWMYRHYFB-UONOGXRCSA-N 2 2 368.503 0.995 10 0 FCAELP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246567368 209394108 /nfs/dbraw/zinc/39/41/08/209394108.db2.gz RPBZTUWMYRHYFB-UONOGXRCSA-N 2 2 368.503 0.995 10 0 FCAELP C[C@@H](NC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000246545206 209388817 /nfs/dbraw/zinc/38/88/17/209388817.db2.gz XTVUOONMRNRKBY-ZACQAIPSSA-N 2 2 368.522 0.990 10 0 FCAELP C[C@@H](NC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000246545206 209388811 /nfs/dbraw/zinc/38/88/11/209388811.db2.gz XTVUOONMRNRKBY-ZACQAIPSSA-N 2 2 368.522 0.990 10 0 FCAELP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245419478 209366588 /nfs/dbraw/zinc/36/65/88/209366588.db2.gz HAQSUZSMEUSTAB-GDBMZVCRSA-N 2 2 351.495 0.465 10 0 FCAELP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245419478 209366591 /nfs/dbraw/zinc/36/65/91/209366591.db2.gz HAQSUZSMEUSTAB-GDBMZVCRSA-N 2 2 351.495 0.465 10 0 FCAELP CN(C(=O)c1ccc(NC(=O)[C@H]2COCC[NH2+]2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000246216568 209380694 /nfs/dbraw/zinc/38/06/94/209380694.db2.gz GJCXNVQPRJCZQX-IAGOWNOFSA-N 2 2 360.458 0.780 10 0 FCAELP CN(C(=O)c1ccc(NC(=O)[C@H]2COCC[NH2+]2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000246216568 209380698 /nfs/dbraw/zinc/38/06/98/209380698.db2.gz GJCXNVQPRJCZQX-IAGOWNOFSA-N 2 2 360.458 0.780 10 0 FCAELP [NH3+]C1(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCCCCC1 ZINC000237763429 209357176 /nfs/dbraw/zinc/35/71/76/209357176.db2.gz MHNSBINKIPCLBM-MRXNPFEDSA-N 2 2 366.506 0.335 10 0 FCAELP C[C@H]([NH3+])CCC(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000193312052 209312134 /nfs/dbraw/zinc/31/21/34/209312134.db2.gz SYWBLDZJVLYBSC-AWEZNQCLSA-N 2 2 350.438 0.827 10 0 FCAELP CC1(C)NC(=O)N(CCC[NH+]2CCC([N@@H+]3CCCOCC3)CC2)C1=O ZINC000931291169 674107514 /nfs/dbraw/zinc/10/75/14/674107514.db2.gz MOIPFPSAAVNYGP-UHFFFAOYSA-N 2 2 352.479 0.894 10 0 FCAELP CC1(C)NC(=O)N(CCC[NH+]2CCC([N@H+]3CCCOCC3)CC2)C1=O ZINC000931291169 674107516 /nfs/dbraw/zinc/10/75/16/674107516.db2.gz MOIPFPSAAVNYGP-UHFFFAOYSA-N 2 2 352.479 0.894 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCNC(=O)c3ccccc3)C2)CC1 ZINC000369392347 216393977 /nfs/dbraw/zinc/39/39/77/216393977.db2.gz HHHPOAVONDRDIA-KRWDZBQOSA-N 2 2 373.501 0.884 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCNC(=O)c3ccccc3)C2)CC1 ZINC000369392347 216393980 /nfs/dbraw/zinc/39/39/80/216393980.db2.gz HHHPOAVONDRDIA-KRWDZBQOSA-N 2 2 373.501 0.884 10 0 FCAELP C[N@@H+]1C[C@]2(C)C[NH+](CCOc3ccc(S(N)(=O)=O)cc3)C[C@]2(C)C1 ZINC000931304504 674108074 /nfs/dbraw/zinc/10/80/74/674108074.db2.gz NXYWDRPCVPPTLX-CALCHBBNSA-N 2 2 353.488 0.986 10 0 FCAELP C[N@H+]1C[C@]2(C)C[NH+](CCOc3ccc(S(N)(=O)=O)cc3)C[C@]2(C)C1 ZINC000931304504 674108076 /nfs/dbraw/zinc/10/80/76/674108076.db2.gz NXYWDRPCVPPTLX-CALCHBBNSA-N 2 2 353.488 0.986 10 0 FCAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)CC1 ZINC000188798727 209237650 /nfs/dbraw/zinc/23/76/50/209237650.db2.gz OOZLDLWCAPNUDB-UHFFFAOYSA-N 2 2 357.462 0.364 10 0 FCAELP C[C@@H](O)C[NH+]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000186819526 209197637 /nfs/dbraw/zinc/19/76/37/209197637.db2.gz XVEDXHMPKRVHEB-GOSISDBHSA-N 2 2 360.502 0.329 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)Nc3ccc(C[NH3+])cc3)CC2)cc[nH+]1 ZINC000415068200 245344927 /nfs/dbraw/zinc/34/49/27/245344927.db2.gz QOZZCFGNDQFYBO-UHFFFAOYSA-N 2 2 354.414 0.531 10 0 FCAELP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)[C@H](C)C1 ZINC000415161078 245353677 /nfs/dbraw/zinc/35/36/77/245353677.db2.gz MFQYBLIGTLUBQS-CYBMUJFWSA-N 2 2 374.441 0.324 10 0 FCAELP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)[C@H](C)C1 ZINC000415161078 245353685 /nfs/dbraw/zinc/35/36/85/245353685.db2.gz MFQYBLIGTLUBQS-CYBMUJFWSA-N 2 2 374.441 0.324 10 0 FCAELP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C(=O)N3CC[NH2+]CC3)c2)C[C@H](C)O1 ZINC000415284630 245376179 /nfs/dbraw/zinc/37/61/79/245376179.db2.gz PVFTVGPFPSDTCY-GASCZTMLSA-N 2 2 360.458 0.666 10 0 FCAELP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C(=O)N3CC[NH2+]CC3)c2)C[C@H](C)O1 ZINC000415284630 245376184 /nfs/dbraw/zinc/37/61/84/245376184.db2.gz PVFTVGPFPSDTCY-GASCZTMLSA-N 2 2 360.458 0.666 10 0 FCAELP CO[C@@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1cnn(C)c1 ZINC000374254033 217113850 /nfs/dbraw/zinc/11/38/50/217113850.db2.gz CDGXHPLTORQFPG-UJJTZGENSA-N 2 2 361.490 0.877 10 0 FCAELP CO[C@@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1cnn(C)c1 ZINC000374254033 217113853 /nfs/dbraw/zinc/11/38/53/217113853.db2.gz CDGXHPLTORQFPG-UJJTZGENSA-N 2 2 361.490 0.877 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C)C2)CC1 ZINC000375177404 217225916 /nfs/dbraw/zinc/22/59/16/217225916.db2.gz BSBYZJVWATXRTO-YQQAZPJKSA-N 2 2 370.538 0.612 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C)C2)CC1 ZINC000375177404 217225918 /nfs/dbraw/zinc/22/59/18/217225918.db2.gz BSBYZJVWATXRTO-YQQAZPJKSA-N 2 2 370.538 0.612 10 0 FCAELP Cn1cc([C@@H]2C[NH2+]CCN2C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cn1 ZINC000181414575 209113655 /nfs/dbraw/zinc/11/36/55/209113655.db2.gz SHMQBQGXPITTGA-RBUKOAKNSA-N 2 2 369.469 0.794 10 0 FCAELP Cn1cc([C@@H]2C[NH2+]CCN2C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cn1 ZINC000181414575 209113660 /nfs/dbraw/zinc/11/36/60/209113660.db2.gz SHMQBQGXPITTGA-RBUKOAKNSA-N 2 2 369.469 0.794 10 0 FCAELP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)CC1 ZINC000375658863 217295929 /nfs/dbraw/zinc/29/59/29/217295929.db2.gz DEEDNBWRQGOWGM-MRXNPFEDSA-N 2 2 374.551 0.331 10 0 FCAELP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)CC1 ZINC000375658863 217295931 /nfs/dbraw/zinc/29/59/31/217295931.db2.gz DEEDNBWRQGOWGM-MRXNPFEDSA-N 2 2 374.551 0.331 10 0 FCAELP CN1CC(=O)N2CC[N@H+](Cc3ccc(C[NH+]4CCCC4)s3)C[C@@H]2C1=O ZINC000065410150 205349212 /nfs/dbraw/zinc/34/92/12/205349212.db2.gz TUWZQFNQJQTYNZ-MRXNPFEDSA-N 2 2 362.499 0.829 10 0 FCAELP CN1CC(=O)N2CC[N@@H+](Cc3ccc(C[NH+]4CCCC4)s3)C[C@@H]2C1=O ZINC000065410150 205349217 /nfs/dbraw/zinc/34/92/17/205349217.db2.gz TUWZQFNQJQTYNZ-MRXNPFEDSA-N 2 2 362.499 0.829 10 0 FCAELP Cc1cc(N2CC[C@H]([N@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@H](C)C3)C2=O)n(C)n1 ZINC000376203247 217368741 /nfs/dbraw/zinc/36/87/41/217368741.db2.gz LSOKDDKUEAOZMS-NXHRZFHOSA-N 2 2 374.533 0.792 10 0 FCAELP Cc1cc(N2CC[C@H]([N@@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@H](C)C3)C2=O)n(C)n1 ZINC000376203247 217368743 /nfs/dbraw/zinc/36/87/43/217368743.db2.gz LSOKDDKUEAOZMS-NXHRZFHOSA-N 2 2 374.533 0.792 10 0 FCAELP CN(C(=O)C(=O)NCc1nc(C[NH+](C)C)cs1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000931659662 674128321 /nfs/dbraw/zinc/12/83/21/674128321.db2.gz ZRISHZCUIBJMQO-AWEZNQCLSA-N 2 2 365.503 0.516 10 0 FCAELP CN(C(=O)C(=O)NCc1nc(C[NH+](C)C)cs1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000931659662 674128319 /nfs/dbraw/zinc/12/83/19/674128319.db2.gz ZRISHZCUIBJMQO-AWEZNQCLSA-N 2 2 365.503 0.516 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000419385142 246128181 /nfs/dbraw/zinc/12/81/81/246128181.db2.gz BYBFIEWTJUHEAO-UHFFFAOYSA-N 2 2 355.442 0.751 10 0 FCAELP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)C[C@@H](C)O1 ZINC000419412851 246146143 /nfs/dbraw/zinc/14/61/43/246146143.db2.gz RQGDWBDDEGYWCT-MWDXBVQZSA-N 2 2 370.538 0.971 10 0 FCAELP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)C[C@@H](C)O1 ZINC000419412851 246146151 /nfs/dbraw/zinc/14/61/51/246146151.db2.gz RQGDWBDDEGYWCT-MWDXBVQZSA-N 2 2 370.538 0.971 10 0 FCAELP CCN(C(=O)C(=O)NCc1nc(C[NH+](C)C)cs1)[C@H]1CC[N@H+](C)C1 ZINC000931666398 674129684 /nfs/dbraw/zinc/12/96/84/674129684.db2.gz FAYCFJVTCFBVCS-ZDUSSCGKSA-N 2 2 353.492 0.374 10 0 FCAELP CCN(C(=O)C(=O)NCc1nc(C[NH+](C)C)cs1)[C@H]1CC[N@@H+](C)C1 ZINC000931666398 674129687 /nfs/dbraw/zinc/12/96/87/674129687.db2.gz FAYCFJVTCFBVCS-ZDUSSCGKSA-N 2 2 353.492 0.374 10 0 FCAELP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000419407183 246139088 /nfs/dbraw/zinc/13/90/88/246139088.db2.gz JUSIAYSWUOYXIQ-JKSUJKDBSA-N 2 2 355.527 0.109 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000419407183 246139092 /nfs/dbraw/zinc/13/90/92/246139092.db2.gz JUSIAYSWUOYXIQ-JKSUJKDBSA-N 2 2 355.527 0.109 10 0 FCAELP C[C@@H]1CCCN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)[C@H]1C[NH3+] ZINC000419656941 246232840 /nfs/dbraw/zinc/23/28/40/246232840.db2.gz USBXEFLPWJNRME-ZBFHGGJFSA-N 2 2 359.474 0.752 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@H](C)C[NH2+]1 ZINC000419647061 246228638 /nfs/dbraw/zinc/22/86/38/246228638.db2.gz QQSYDAXHQIAGMV-HUUCEWRRSA-N 2 2 355.442 0.756 10 0 FCAELP [NH3+][C@@H](CNC(=O)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)C1CC1 ZINC000419713515 246265787 /nfs/dbraw/zinc/26/57/87/246265787.db2.gz RNBVDNLAEPIBAU-INIZCTEOSA-N 2 2 364.877 0.668 10 0 FCAELP [NH3+][C@@H](CNC(=O)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)C1CC1 ZINC000419713515 246265792 /nfs/dbraw/zinc/26/57/92/246265792.db2.gz RNBVDNLAEPIBAU-INIZCTEOSA-N 2 2 364.877 0.668 10 0 FCAELP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)C(=O)N1CCC[NH2+]CC1 ZINC000419716246 246267960 /nfs/dbraw/zinc/26/79/60/246267960.db2.gz XMRVKXSGNXHJKN-UHFFFAOYSA-N 2 2 364.877 0.636 10 0 FCAELP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)C(=O)N1CCC[NH2+]CC1 ZINC000419716246 246267963 /nfs/dbraw/zinc/26/79/63/246267963.db2.gz XMRVKXSGNXHJKN-UHFFFAOYSA-N 2 2 364.877 0.636 10 0 FCAELP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000419725341 246272125 /nfs/dbraw/zinc/27/21/25/246272125.db2.gz RROJQRPNCFHRRK-MRXNPFEDSA-N 2 2 371.441 0.571 10 0 FCAELP [NH3+][C@H](CNC(=O)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000419875139 246340990 /nfs/dbraw/zinc/34/09/90/246340990.db2.gz WJBWZZNWZNCEOI-GDBMZVCRSA-N 2 2 359.474 0.779 10 0 FCAELP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000419954497 246384682 /nfs/dbraw/zinc/38/46/82/246384682.db2.gz RCSOIJVHDNBEPK-QGZVFWFLSA-N 2 2 374.485 0.598 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC[NH2+]1 ZINC000423582402 247061542 /nfs/dbraw/zinc/06/15/42/247061542.db2.gz XGTORXIHKBETNF-HUUCEWRRSA-N 2 2 359.474 0.746 10 0 FCAELP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)CC1 ZINC000423673382 247105452 /nfs/dbraw/zinc/10/54/52/247105452.db2.gz ONKSZFDZTLZXJB-QGZVFWFLSA-N 2 2 359.474 0.355 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])CC1 ZINC000423738473 247134302 /nfs/dbraw/zinc/13/43/02/247134302.db2.gz QSJSTDBNGDZUQX-HOCLYGCPSA-N 2 2 359.474 0.624 10 0 FCAELP C[NH+](C)CC1CCC(NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CC1 ZINC000442238380 248279159 /nfs/dbraw/zinc/27/91/59/248279159.db2.gz ZQRJXBBKBXMPTG-UHFFFAOYSA-N 2 2 353.511 0.698 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCN(C(=O)NCc2ccc[nH+]c2N(C)C)CC1 ZINC000473878318 250255248 /nfs/dbraw/zinc/25/52/48/250255248.db2.gz SOXMCZOMFBQNHP-UHFFFAOYSA-N 2 2 362.478 0.453 10 0 FCAELP C[NH+]1CCC(CNC(=O)NCC(C)(C)C(N)=O)([NH+]2CCCCC2)CC1 ZINC000073752433 208049572 /nfs/dbraw/zinc/04/95/72/208049572.db2.gz NXEFMXIITGLBAM-UHFFFAOYSA-N 2 2 353.511 0.747 10 0 FCAELP C[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(=O)N(C)C ZINC000073718907 208049868 /nfs/dbraw/zinc/04/98/68/208049868.db2.gz MFDBHFFMELYMAQ-HNNXBMFYSA-N 2 2 353.511 0.713 10 0 FCAELP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CCCC2(C)C)CC1 ZINC000077382867 208074049 /nfs/dbraw/zinc/07/40/49/208074049.db2.gz AWUVCZJLKCHDRA-UHFFFAOYSA-N 2 2 357.462 0.886 10 0 FCAELP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CCCC2(C)C)CC1 ZINC000077382867 208074058 /nfs/dbraw/zinc/07/40/58/208074058.db2.gz AWUVCZJLKCHDRA-UHFFFAOYSA-N 2 2 357.462 0.886 10 0 FCAELP COC[C@@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCO1 ZINC000080493382 208094800 /nfs/dbraw/zinc/09/48/00/208094800.db2.gz MXYVKLRZTDCELF-KRWDZBQOSA-N 2 2 368.522 0.994 10 0 FCAELP COCCCOC1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000091215641 208136816 /nfs/dbraw/zinc/13/68/16/208136816.db2.gz KHCHIGZUVVGHOO-UHFFFAOYSA-N 2 2 368.522 0.992 10 0 FCAELP CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cnc(N4CC[NH+](C)CC4)nc3)[C@H]2C1 ZINC000092096583 208143571 /nfs/dbraw/zinc/14/35/71/208143571.db2.gz GFHMZRYZEBMGBI-FGTMMUONSA-N 2 2 361.490 0.997 10 0 FCAELP CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cnc(N4CC[NH+](C)CC4)nc3)[C@H]2C1 ZINC000092096583 208143575 /nfs/dbraw/zinc/14/35/75/208143575.db2.gz GFHMZRYZEBMGBI-FGTMMUONSA-N 2 2 361.490 0.997 10 0 FCAELP CCC(CC)[C@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)[NH+]1CCOCC1 ZINC000104780878 208186471 /nfs/dbraw/zinc/18/64/71/208186471.db2.gz IYFWCGGYLXLBJW-SJORKVTESA-N 2 2 356.511 0.753 10 0 FCAELP CCC(CC)[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCOCC1 ZINC000104780878 208186479 /nfs/dbraw/zinc/18/64/79/208186479.db2.gz IYFWCGGYLXLBJW-SJORKVTESA-N 2 2 356.511 0.753 10 0 FCAELP CC(C)CNC(=O)[C@H](C)[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106122455 208211991 /nfs/dbraw/zinc/21/19/91/208211991.db2.gz OYDAMZFIDSDDPV-ROUUACIJSA-N 2 2 354.539 0.874 10 0 FCAELP CC(C)CNC(=O)[C@H](C)[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106122455 208211997 /nfs/dbraw/zinc/21/19/97/208211997.db2.gz OYDAMZFIDSDDPV-ROUUACIJSA-N 2 2 354.539 0.874 10 0 FCAELP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130463 208213795 /nfs/dbraw/zinc/21/37/95/208213795.db2.gz KCLGYHFLRIPAFQ-AWEZNQCLSA-N 2 2 350.467 0.514 10 0 FCAELP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130463 208213798 /nfs/dbraw/zinc/21/37/98/208213798.db2.gz KCLGYHFLRIPAFQ-AWEZNQCLSA-N 2 2 350.467 0.514 10 0 FCAELP C[N@H+](CC(=O)NCc1cccnc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000111228460 208276461 /nfs/dbraw/zinc/27/64/61/208276461.db2.gz AXOMZEDFRKVGCS-UHFFFAOYSA-N 2 2 356.474 0.991 10 0 FCAELP C[N@@H+](CC(=O)NCc1cccnc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000111228460 208276467 /nfs/dbraw/zinc/27/64/67/208276467.db2.gz AXOMZEDFRKVGCS-UHFFFAOYSA-N 2 2 356.474 0.991 10 0 FCAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000111230767 208276841 /nfs/dbraw/zinc/27/68/41/208276841.db2.gz LPMJMQMOUYJGRT-HNNXBMFYSA-N 2 2 351.495 0.419 10 0 FCAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000111230767 208276847 /nfs/dbraw/zinc/27/68/47/208276847.db2.gz LPMJMQMOUYJGRT-HNNXBMFYSA-N 2 2 351.495 0.419 10 0 FCAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)nc[nH+]1 ZINC000111227135 208277308 /nfs/dbraw/zinc/27/73/08/208277308.db2.gz WOFKNEWODJIELQ-UKRRQHHQSA-N 2 2 370.461 0.616 10 0 FCAELP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000108535708 208247577 /nfs/dbraw/zinc/24/75/77/208247577.db2.gz HSHCXHTZMTXYTP-QGZVFWFLSA-N 2 2 353.511 0.130 10 0 FCAELP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000108535708 208247582 /nfs/dbraw/zinc/24/75/82/208247582.db2.gz HSHCXHTZMTXYTP-QGZVFWFLSA-N 2 2 353.511 0.130 10 0 FCAELP C[C@@H](CNC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)[NH+]1CCOCC1 ZINC000108552204 208248414 /nfs/dbraw/zinc/24/84/14/208248414.db2.gz PTOVTKHQESEHIT-ZWKOTPCHSA-N 2 2 367.538 0.519 10 0 FCAELP C[C@@H](CNC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)[NH+]1CCOCC1 ZINC000108552204 208248421 /nfs/dbraw/zinc/24/84/21/208248421.db2.gz PTOVTKHQESEHIT-ZWKOTPCHSA-N 2 2 367.538 0.519 10 0 FCAELP C[C@H](CNC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1)[NH+]1CCOCC1 ZINC000115796656 208328583 /nfs/dbraw/zinc/32/85/83/208328583.db2.gz FUZMGRMETFNWHM-MRXNPFEDSA-N 2 2 364.494 0.358 10 0 FCAELP C[C@H](CNC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)[NH+]1CCOCC1 ZINC000115796656 208328588 /nfs/dbraw/zinc/32/85/88/208328588.db2.gz FUZMGRMETFNWHM-MRXNPFEDSA-N 2 2 364.494 0.358 10 0 FCAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@@H](C)CS(C)(=O)=O)CC2)C1 ZINC000118986242 208353953 /nfs/dbraw/zinc/35/39/53/208353953.db2.gz UHEDVCCDYYOHHK-IAGOWNOFSA-N 2 2 361.552 0.394 10 0 FCAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@@H](C)CS(C)(=O)=O)CC2)C1 ZINC000118986242 208353957 /nfs/dbraw/zinc/35/39/57/208353957.db2.gz UHEDVCCDYYOHHK-IAGOWNOFSA-N 2 2 361.552 0.394 10 0 FCAELP CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000119942931 208370207 /nfs/dbraw/zinc/37/02/07/208370207.db2.gz JCJMWLWYJBVDRY-MRXNPFEDSA-N 2 2 364.515 0.945 10 0 FCAELP CN(C)C(=O)[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000119942931 208370211 /nfs/dbraw/zinc/37/02/11/208370211.db2.gz JCJMWLWYJBVDRY-MRXNPFEDSA-N 2 2 364.515 0.945 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000180478815 209097254 /nfs/dbraw/zinc/09/72/54/209097254.db2.gz VMFLJKUESXSKNF-RTBURBONSA-N 2 2 363.502 0.765 10 0 FCAELP C[C@H]1CN(C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000177875666 209038054 /nfs/dbraw/zinc/03/80/54/209038054.db2.gz FPWAUNMAPAHJLD-GJZGRUSLSA-N 2 2 350.467 0.629 10 0 FCAELP Cn1ncc2c1nc(NCc1cccnc1N1CC[NH+](C)CC1)[nH+]c2N ZINC000278399623 488873197 /nfs/dbraw/zinc/87/31/97/488873197.db2.gz MUPGTNCOLRNUSB-UHFFFAOYSA-N 2 2 353.434 0.704 10 0 FCAELP O=C(C[N@@H+]1CC[C@]2(CNC(=O)C2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000278794713 488895909 /nfs/dbraw/zinc/89/59/09/488895909.db2.gz FHWHURYIGJJXSN-FQEVSTJZSA-N 2 2 356.470 0.543 10 0 FCAELP O=C(C[N@H+]1CC[C@]2(CNC(=O)C2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000278794713 488895912 /nfs/dbraw/zinc/89/59/12/488895912.db2.gz FHWHURYIGJJXSN-FQEVSTJZSA-N 2 2 356.470 0.543 10 0 FCAELP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000363999178 488910495 /nfs/dbraw/zinc/91/04/95/488910495.db2.gz MIOHTSRVIDNUQL-HNNXBMFYSA-N 2 2 360.462 0.056 10 0 FCAELP C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000363999178 488910498 /nfs/dbraw/zinc/91/04/98/488910498.db2.gz MIOHTSRVIDNUQL-HNNXBMFYSA-N 2 2 360.462 0.056 10 0 FCAELP CC[N@@H+]1CCC[C@@H](C[NH+](C)CCN2C(=O)CNC2=O)[C@@H]1c1cnn(C)c1 ZINC000328655557 488927221 /nfs/dbraw/zinc/92/72/21/488927221.db2.gz YLONZLSZGFKCCU-WMLDXEAASA-N 2 2 362.478 0.881 10 0 FCAELP CC[N@H+]1CCC[C@@H](C[NH+](C)CCN2C(=O)CNC2=O)[C@@H]1c1cnn(C)c1 ZINC000328655557 488927223 /nfs/dbraw/zinc/92/72/23/488927223.db2.gz YLONZLSZGFKCCU-WMLDXEAASA-N 2 2 362.478 0.881 10 0 FCAELP CC[NH+]1CCC[C@@H](C[N@H+](C)CCN2C(=O)CNC2=O)[C@@H]1c1cnn(C)c1 ZINC000328655557 488927225 /nfs/dbraw/zinc/92/72/25/488927225.db2.gz YLONZLSZGFKCCU-WMLDXEAASA-N 2 2 362.478 0.881 10 0 FCAELP CC[NH+]1CCC[C@@H](C[N@@H+](C)CCN2C(=O)CNC2=O)[C@@H]1c1cnn(C)c1 ZINC000328655557 488927227 /nfs/dbraw/zinc/92/72/27/488927227.db2.gz YLONZLSZGFKCCU-WMLDXEAASA-N 2 2 362.478 0.881 10 0 FCAELP C[N@H+](CCNC(=O)C(=O)N1CC[NH+](C2CC2)CC1)Cc1ccc(F)cc1 ZINC000288098445 488943501 /nfs/dbraw/zinc/94/35/01/488943501.db2.gz HWUKNFIPIOOEPB-UHFFFAOYSA-N 2 2 362.449 0.680 10 0 FCAELP C[N@@H+](CCNC(=O)C(=O)N1CC[NH+](C2CC2)CC1)Cc1ccc(F)cc1 ZINC000288098445 488943504 /nfs/dbraw/zinc/94/35/04/488943504.db2.gz HWUKNFIPIOOEPB-UHFFFAOYSA-N 2 2 362.449 0.680 10 0 FCAELP CC[NH+]1CCN(CC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000051121855 488123721 /nfs/dbraw/zinc/12/37/21/488123721.db2.gz MMNVFUGUHYWDMB-UHFFFAOYSA-N 2 2 360.502 0.773 10 0 FCAELP Cn1cc[nH+]c1[C@@H]1CN(C(=O)NC[C@@H]2CCc3[nH+]ccn3C2)CCN1C ZINC000279805841 488969628 /nfs/dbraw/zinc/96/96/28/488969628.db2.gz DYOVCIKXLOTZQP-GJZGRUSLSA-N 2 2 357.462 0.877 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000054994002 488234006 /nfs/dbraw/zinc/23/40/06/488234006.db2.gz ACBFJXASHBSXFR-SJORKVTESA-N 2 2 366.506 0.110 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000054994002 488234008 /nfs/dbraw/zinc/23/40/08/488234008.db2.gz ACBFJXASHBSXFR-SJORKVTESA-N 2 2 366.506 0.110 10 0 FCAELP COc1c(C)c[nH+]c(CN2CC[NH+](CC(=O)N3CCOCC3)CC2)c1C ZINC000060330544 488288649 /nfs/dbraw/zinc/28/86/49/488288649.db2.gz XTQZAWYOARUYGZ-UHFFFAOYSA-N 2 2 362.474 0.683 10 0 FCAELP CC[NH+]1CCN(CCCNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000068516206 488366665 /nfs/dbraw/zinc/36/66/65/488366665.db2.gz NGDKTFFHTYTDGC-UHFFFAOYSA-N 2 2 374.533 0.591 10 0 FCAELP CCN1CC[NH+](CCCNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000068516206 488366668 /nfs/dbraw/zinc/36/66/68/488366668.db2.gz NGDKTFFHTYTDGC-UHFFFAOYSA-N 2 2 374.533 0.591 10 0 FCAELP CC(C)(CNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000073484023 488384730 /nfs/dbraw/zinc/38/47/30/488384730.db2.gz KAODMIWQELVQAF-KRWDZBQOSA-N 2 2 368.522 0.994 10 0 FCAELP C[NH+]1CCC(CNC(=O)NCCCn2cncn2)([NH+]2CCCCC2)CC1 ZINC000073603286 488385254 /nfs/dbraw/zinc/38/52/54/488385254.db2.gz GIPSNXSVFDEFJT-UHFFFAOYSA-N 2 2 363.510 0.918 10 0 FCAELP CC[NH+]1CCN(CC(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000073945724 488386833 /nfs/dbraw/zinc/38/68/33/488386833.db2.gz DFRBWIAZZHDQDO-IBGZPJMESA-N 2 2 373.545 0.951 10 0 FCAELP CC[NH+]1CCN(CCC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000074365864 488391751 /nfs/dbraw/zinc/39/17/51/488391751.db2.gz CVCAKKYWLWJVBY-SFHVURJKSA-N 2 2 352.523 0.727 10 0 FCAELP CCN1CC[NH+](CCC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000074365864 488391754 /nfs/dbraw/zinc/39/17/54/488391754.db2.gz CVCAKKYWLWJVBY-SFHVURJKSA-N 2 2 352.523 0.727 10 0 FCAELP COC[C@@](C)(O)CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000074768341 488393826 /nfs/dbraw/zinc/39/38/26/488393826.db2.gz KAORKCAZZUTTIA-KRWDZBQOSA-N 2 2 356.511 0.633 10 0 FCAELP CN(C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[C@@H]1CCN(C)C1=O ZINC000074767686 488393834 /nfs/dbraw/zinc/39/38/34/488393834.db2.gz RSWHCNYVCHFSKW-MRXNPFEDSA-N 2 2 365.522 0.809 10 0 FCAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000184786751 488397636 /nfs/dbraw/zinc/39/76/36/488397636.db2.gz HHRGWUKFVNSTFI-SJORKVTESA-N 2 2 356.511 0.441 10 0 FCAELP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000184705952 488397689 /nfs/dbraw/zinc/39/76/89/488397689.db2.gz WOICBKJZJQQFKS-MRXNPFEDSA-N 2 2 370.538 0.831 10 0 FCAELP C[N@@H+]1CCC[C@H]1CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000195016906 488435185 /nfs/dbraw/zinc/43/51/85/488435185.db2.gz BIBPNQODJONQPI-INIZCTEOSA-N 2 2 374.489 0.514 10 0 FCAELP C[N@H+]1CCC[C@H]1CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000195016906 488435186 /nfs/dbraw/zinc/43/51/86/488435186.db2.gz BIBPNQODJONQPI-INIZCTEOSA-N 2 2 374.489 0.514 10 0 FCAELP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCC[C@H](c3[nH]cc[nH+]3)C1)c(=O)n2C ZINC000080960973 488438244 /nfs/dbraw/zinc/43/82/44/488438244.db2.gz HKMDCYJVTHSNBF-ZDUSSCGKSA-N 2 2 371.445 0.427 10 0 FCAELP Cn1cnc2c1c(=O)n(CCC[N@H+]1CCC[C@H](c3[nH]cc[nH+]3)C1)c(=O)n2C ZINC000080960973 488438246 /nfs/dbraw/zinc/43/82/46/488438246.db2.gz HKMDCYJVTHSNBF-ZDUSSCGKSA-N 2 2 371.445 0.427 10 0 FCAELP CNC(=O)Cc1nc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cs1 ZINC000081670762 488443615 /nfs/dbraw/zinc/44/36/15/488443615.db2.gz RBSPRCYMFJEJHT-UHFFFAOYSA-N 2 2 352.504 0.976 10 0 FCAELP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935780563 674329150 /nfs/dbraw/zinc/32/91/50/674329150.db2.gz NLTLZAFSQNULOA-BBWFWOEESA-N 2 2 357.495 0.075 10 0 FCAELP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)C1 ZINC000246355123 488472131 /nfs/dbraw/zinc/47/21/31/488472131.db2.gz PMTKCPAZKVRXCW-GDBMZVCRSA-N 2 2 351.495 0.465 10 0 FCAELP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)C1 ZINC000246355123 488472132 /nfs/dbraw/zinc/47/21/32/488472132.db2.gz PMTKCPAZKVRXCW-GDBMZVCRSA-N 2 2 351.495 0.465 10 0 FCAELP C[C@H](O)C[NH+]1CCN(CCCCN2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)C[C@@H]1C ZINC000246985115 488479682 /nfs/dbraw/zinc/47/96/82/488479682.db2.gz MDIRQHQKRPPVDK-MUGJNUQGSA-N 2 2 370.582 0.540 10 0 FCAELP C[C@H](O)C[NH+]1CCN(CCCCN2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)C[C@@H]1C ZINC000246985115 488479683 /nfs/dbraw/zinc/47/96/83/488479683.db2.gz MDIRQHQKRPPVDK-MUGJNUQGSA-N 2 2 370.582 0.540 10 0 FCAELP C[NH+]1CCCC[C@@H]1CN1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000247145548 488482753 /nfs/dbraw/zinc/48/27/53/488482753.db2.gz NEMDWOYXGBOEDP-IAGOWNOFSA-N 2 2 353.511 0.129 10 0 FCAELP C[NH+]1CCCC[C@@H]1CN1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000247145548 488482755 /nfs/dbraw/zinc/48/27/55/488482755.db2.gz NEMDWOYXGBOEDP-IAGOWNOFSA-N 2 2 353.511 0.129 10 0 FCAELP C[NH+]1CCO[C@H](CNC(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000247145548 488482758 /nfs/dbraw/zinc/48/27/58/488482758.db2.gz NEMDWOYXGBOEDP-IAGOWNOFSA-N 2 2 353.511 0.129 10 0 FCAELP C[NH+]1CCO[C@H](CNC(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000247145548 488482760 /nfs/dbraw/zinc/48/27/60/488482760.db2.gz NEMDWOYXGBOEDP-IAGOWNOFSA-N 2 2 353.511 0.129 10 0 FCAELP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C[C@@H](C)O1 ZINC000247260661 488483608 /nfs/dbraw/zinc/48/36/08/488483608.db2.gz ZXNZDIMXGNQEFS-BRWVUGGUSA-N 2 2 368.522 0.990 10 0 FCAELP COCC[NH2+][C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]Cc2cnc3ccccc3c2)[C@@H]1O ZINC000096533297 488491707 /nfs/dbraw/zinc/49/17/07/488491707.db2.gz NPPFGUCYRPVTDH-IEWDOMPSSA-N 2 2 359.426 0.414 10 0 biogenic FCAELP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000248577340 488498313 /nfs/dbraw/zinc/49/83/13/488498313.db2.gz DTNHZOUNWKGLRR-LUKYLMHMSA-N 2 2 356.511 0.582 10 0 FCAELP C[C@H](O)C[N@H+]1CCN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000248577340 488498315 /nfs/dbraw/zinc/49/83/15/488498315.db2.gz DTNHZOUNWKGLRR-LUKYLMHMSA-N 2 2 356.511 0.582 10 0 FCAELP C[C@H](O)C[NH+]1CCN(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000248577340 488498317 /nfs/dbraw/zinc/49/83/17/488498317.db2.gz DTNHZOUNWKGLRR-LUKYLMHMSA-N 2 2 356.511 0.582 10 0 FCAELP C[C@H](O)C[NH+]1CCN(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000248577340 488498318 /nfs/dbraw/zinc/49/83/18/488498318.db2.gz DTNHZOUNWKGLRR-LUKYLMHMSA-N 2 2 356.511 0.582 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000253371088 488520005 /nfs/dbraw/zinc/52/00/05/488520005.db2.gz ACBFJXASHBSXFR-DLBZAZTESA-N 2 2 366.506 0.110 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000253371088 488520007 /nfs/dbraw/zinc/52/00/07/488520007.db2.gz ACBFJXASHBSXFR-DLBZAZTESA-N 2 2 366.506 0.110 10 0 FCAELP C[NH+](C)C[C@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCO1 ZINC000117041344 488550318 /nfs/dbraw/zinc/55/03/18/488550318.db2.gz CZKKNHWKTVSGOY-SFHVURJKSA-N 3 2 367.538 0.517 10 0 FCAELP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000262142462 488553042 /nfs/dbraw/zinc/55/30/42/488553042.db2.gz HHJJAWKQUBPPAW-UHFFFAOYSA-N 2 2 354.495 0.145 10 0 FCAELP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000262142462 488553044 /nfs/dbraw/zinc/55/30/44/488553044.db2.gz HHJJAWKQUBPPAW-UHFFFAOYSA-N 2 2 354.495 0.145 10 0 FCAELP C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000262220316 488557805 /nfs/dbraw/zinc/55/78/05/488557805.db2.gz JLDRWBPXLUXNQM-PBHICJAKSA-N 2 2 360.458 0.828 10 0 FCAELP C[NH+]1CCN(C(=O)CC2CC[NH+](CC(=O)NC[C@@H]3CCCO3)CC2)CC1 ZINC000121301804 488566084 /nfs/dbraw/zinc/56/60/84/488566084.db2.gz SSUVAXCWLGWKLL-KRWDZBQOSA-N 2 2 366.506 0.158 10 0 FCAELP CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000272189044 488567360 /nfs/dbraw/zinc/56/73/60/488567360.db2.gz BHGQTXLEOLWCSY-UHFFFAOYSA-N 2 2 370.457 0.894 10 0 FCAELP O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262401915 488568619 /nfs/dbraw/zinc/56/86/19/488568619.db2.gz YQXGOOPAJCFWPZ-HOCLYGCPSA-N 2 2 357.414 0.222 10 0 FCAELP CC(=O)N[C@H]1CCCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000127498907 488617213 /nfs/dbraw/zinc/61/72/13/488617213.db2.gz OHAVEYZUXOQUHV-KRWDZBQOSA-N 2 2 365.522 0.855 10 0 FCAELP CC(C)c1nn(C)c(N2CCOCC2)c1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000131397686 488645742 /nfs/dbraw/zinc/64/57/42/488645742.db2.gz LTIAVFGQEHUESQ-SFHVURJKSA-N 2 2 353.511 0.782 10 0 FCAELP C[C@H](CNC(=O)CN1CC[NH+](Cc2ccccc2)CC1)C[NH+]1CCOCC1 ZINC000150714469 488699146 /nfs/dbraw/zinc/69/91/46/488699146.db2.gz SPJQZSJHASECOV-LJQANCHMSA-N 2 2 374.529 0.889 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)N[C@@H](C)CC[NH+]3CCN(C)CC3)ccc2[nH+]1 ZINC000274572344 488720623 /nfs/dbraw/zinc/72/06/23/488720623.db2.gz ZDXSDJQIGSMXTO-AWEZNQCLSA-N 2 2 372.473 0.723 10 0 FCAELP C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)CSCC(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC000155068486 488750516 /nfs/dbraw/zinc/75/05/16/488750516.db2.gz LGYXLIPADCWXFG-FPCVCCKLSA-N 2 2 370.563 0.822 10 0 FCAELP C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)CSCC(=O)N1[C@H](C)C[N@H+](C)C[C@@H]1C ZINC000155068486 488750517 /nfs/dbraw/zinc/75/05/17/488750517.db2.gz LGYXLIPADCWXFG-FPCVCCKLSA-N 2 2 370.563 0.822 10 0 FCAELP C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000155174652 488752253 /nfs/dbraw/zinc/75/22/53/488752253.db2.gz PLTYHUXSEHDITB-UKRRQHHQSA-N 2 2 368.503 0.366 10 0 FCAELP CN1C(=O)C[C@@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@H]1c1cccnc1 ZINC000267187066 488768462 /nfs/dbraw/zinc/76/84/62/488768462.db2.gz AXFQIJTUZDYCPG-IEBWSBKVSA-N 2 2 373.501 0.743 10 0 FCAELP O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000570165465 491221337 /nfs/dbraw/zinc/22/13/37/491221337.db2.gz YRYWDCXTMXTEHX-MRXNPFEDSA-N 2 2 370.457 0.866 10 0 FCAELP [NH3+]Cc1ccc(C(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)o1 ZINC000168293399 488812359 /nfs/dbraw/zinc/81/23/59/488812359.db2.gz DXFBVRVJOVCETF-OAHLLOKOSA-N 2 2 359.426 0.936 10 0 FCAELP O=C(N1CC[NH+](C[C@H](O)COc2ccccc2)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000168300903 488812822 /nfs/dbraw/zinc/81/28/22/488812822.db2.gz DQIDOSMJCZGXIL-MAUKXSAKSA-N 2 2 351.422 0.272 10 0 FCAELP CCn1c(N)c(C(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(=O)[nH]c1=O ZINC000170645405 488814552 /nfs/dbraw/zinc/81/45/52/488814552.db2.gz SNIXGMBXVJUQCP-LBPRGKRZSA-N 2 2 372.429 0.150 10 0 FCAELP CCn1c(N)c(C(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(=O)[nH]c1=O ZINC000170645405 488814554 /nfs/dbraw/zinc/81/45/54/488814554.db2.gz SNIXGMBXVJUQCP-LBPRGKRZSA-N 2 2 372.429 0.150 10 0 FCAELP CC[C@H](C)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000554761126 491223715 /nfs/dbraw/zinc/22/37/15/491223715.db2.gz PKENLRLJXHTUGG-HOTGVXAUSA-N 2 2 358.446 0.865 10 0 FCAELP C[NH+]1CCC(CNC(=O)C[C@H]2CCS(=O)(=O)C2)([NH+]2CCCCC2)CC1 ZINC000172749298 488837336 /nfs/dbraw/zinc/83/73/36/488837336.db2.gz OXBRLJISXRCGPI-MRXNPFEDSA-N 2 2 371.547 0.878 10 0 FCAELP C[NH+]1CCC(CNC(=O)CN2CSCC2=O)([NH+]2CCCCC2)CC1 ZINC000172754171 488837361 /nfs/dbraw/zinc/83/73/61/488837361.db2.gz IMLYMBLXFOIRKJ-UHFFFAOYSA-N 2 2 354.520 0.586 10 0 FCAELP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C[C@H](C)O1 ZINC000173794593 488845443 /nfs/dbraw/zinc/84/54/43/488845443.db2.gz ZXNZDIMXGNQEFS-BBWFWOEESA-N 2 2 368.522 0.990 10 0 FCAELP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C[C@H](C)O1 ZINC000173794593 488845444 /nfs/dbraw/zinc/84/54/44/488845444.db2.gz ZXNZDIMXGNQEFS-BBWFWOEESA-N 2 2 368.522 0.990 10 0 FCAELP C[C@@H]1CN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000173846084 488845845 /nfs/dbraw/zinc/84/58/45/488845845.db2.gz GMAWXDDJNDCGGT-AEFFLSMTSA-N 2 2 373.501 0.626 10 0 FCAELP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)C1 ZINC000174234260 488848194 /nfs/dbraw/zinc/84/81/94/488848194.db2.gz PMTKCPAZKVRXCW-GOEBONIOSA-N 2 2 351.495 0.465 10 0 FCAELP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)C1 ZINC000174234260 488848195 /nfs/dbraw/zinc/84/81/95/488848195.db2.gz PMTKCPAZKVRXCW-GOEBONIOSA-N 2 2 351.495 0.465 10 0 FCAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)C2 ZINC000174816581 488851472 /nfs/dbraw/zinc/85/14/72/488851472.db2.gz ISBKYXQQMWBETI-AWEZNQCLSA-N 2 2 361.490 0.838 10 0 FCAELP Cc1nn(C)c(C)c1CCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175641390 488854815 /nfs/dbraw/zinc/85/48/15/488854815.db2.gz SFVXJNNZGXVHCI-UHFFFAOYSA-N 2 2 350.511 0.905 10 0 FCAELP C[C@H]1CN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000175755581 488855388 /nfs/dbraw/zinc/85/53/88/488855388.db2.gz RMWQWKKBAPUCAS-HOTGVXAUSA-N 2 2 354.495 0.459 10 0 FCAELP C[C@H]1CN(C(=O)NCC[N@H+]2CCOCC2(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000175755581 488855389 /nfs/dbraw/zinc/85/53/89/488855389.db2.gz RMWQWKKBAPUCAS-HOTGVXAUSA-N 2 2 354.495 0.459 10 0 FCAELP C[C@@H]1C[N@@H+]([C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)c2cccs2)CCO1 ZINC000177974710 488859975 /nfs/dbraw/zinc/85/99/75/488859975.db2.gz ZPFLDGVVCGMPGQ-ILXRZTDVSA-N 2 2 353.488 0.957 10 0 FCAELP C[C@@H]1C[N@H+]([C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)c2cccs2)CCO1 ZINC000177974710 488859976 /nfs/dbraw/zinc/85/99/76/488859976.db2.gz ZPFLDGVVCGMPGQ-ILXRZTDVSA-N 2 2 353.488 0.957 10 0 FCAELP C[C@@H]1C[NH+]([C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)c2cccs2)CCO1 ZINC000177974710 488859977 /nfs/dbraw/zinc/85/99/77/488859977.db2.gz ZPFLDGVVCGMPGQ-ILXRZTDVSA-N 2 2 353.488 0.957 10 0 FCAELP C[C@@H]1C[NH+]([C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)c2cccs2)CCO1 ZINC000177974710 488859978 /nfs/dbraw/zinc/85/99/78/488859978.db2.gz ZPFLDGVVCGMPGQ-ILXRZTDVSA-N 2 2 353.488 0.957 10 0 FCAELP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000181695240 488863669 /nfs/dbraw/zinc/86/36/69/488863669.db2.gz QMZMVMOFCOPVSX-MRXNPFEDSA-N 2 2 370.538 0.831 10 0 FCAELP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000181695240 488863670 /nfs/dbraw/zinc/86/36/70/488863670.db2.gz QMZMVMOFCOPVSX-MRXNPFEDSA-N 2 2 370.538 0.831 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@H](C)CN2CCOCC2)C1 ZINC000365186295 489047555 /nfs/dbraw/zinc/04/75/55/489047555.db2.gz WRODEHSQADRGKV-MSOLQXFVSA-N 2 2 370.538 0.112 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@H](C)CN2CCOCC2)C1 ZINC000365186295 489047558 /nfs/dbraw/zinc/04/75/58/489047558.db2.gz WRODEHSQADRGKV-MSOLQXFVSA-N 2 2 370.538 0.112 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)[C@H](C)CN2CCOCC2)C1 ZINC000365186295 489047561 /nfs/dbraw/zinc/04/75/61/489047561.db2.gz WRODEHSQADRGKV-MSOLQXFVSA-N 2 2 370.538 0.112 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)[C@H](C)CN2CCOCC2)C1 ZINC000365186295 489047566 /nfs/dbraw/zinc/04/75/66/489047566.db2.gz WRODEHSQADRGKV-MSOLQXFVSA-N 2 2 370.538 0.112 10 0 FCAELP O=C(C[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1)N1CCNC(=O)C1 ZINC000289397533 489064194 /nfs/dbraw/zinc/06/41/94/489064194.db2.gz RSVZWELVAMCLEZ-OAHLLOKOSA-N 2 2 373.457 0.093 10 0 FCAELP O=C(C[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1)N1CCNC(=O)C1 ZINC000289397533 489064196 /nfs/dbraw/zinc/06/41/96/489064196.db2.gz RSVZWELVAMCLEZ-OAHLLOKOSA-N 2 2 373.457 0.093 10 0 FCAELP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1)c1ccccc1 ZINC000289503030 489071803 /nfs/dbraw/zinc/07/18/03/489071803.db2.gz UJCYQHGVGPLDMT-JKSUJKDBSA-N 2 2 372.473 0.697 10 0 FCAELP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000297580252 489210591 /nfs/dbraw/zinc/21/05/91/489210591.db2.gz BQSXBGVUZSKYDN-UHFFFAOYSA-N 2 2 364.515 0.945 10 0 FCAELP C[NH+]1CCN(C(=O)CC[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)CC1 ZINC000283237067 489231071 /nfs/dbraw/zinc/23/10/71/489231071.db2.gz UOFXHZAYWAKPSE-CVEARBPZSA-N 2 2 351.447 0.568 10 0 FCAELP C[NH+]1CCN(C(=O)CC[N@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)CC1 ZINC000283237067 489231074 /nfs/dbraw/zinc/23/10/74/489231074.db2.gz UOFXHZAYWAKPSE-CVEARBPZSA-N 2 2 351.447 0.568 10 0 FCAELP C[NH+]1CCC(CNC(=O)N2CCn3cnnc3C2)([NH+]2CCCCC2)CC1 ZINC000369847301 489281955 /nfs/dbraw/zinc/28/19/55/489281955.db2.gz PYTNKWSJFSBSNQ-UHFFFAOYSA-N 2 2 361.494 0.754 10 0 FCAELP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[NH+](C4CC4)CC3)CC2)c1 ZINC000298184720 489301168 /nfs/dbraw/zinc/30/11/68/489301168.db2.gz VRLOXUSCPORNKX-UHFFFAOYSA-N 2 2 373.457 0.045 10 0 FCAELP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3cn4c([nH+]3)CCCC4)CC[C@H]21 ZINC000285944666 489336481 /nfs/dbraw/zinc/33/64/81/489336481.db2.gz IDGYNYCSXVFMQQ-GDBMZVCRSA-N 2 2 359.474 0.778 10 0 FCAELP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3cn4c([nH+]3)CCCC4)CC[C@H]21 ZINC000285944666 489336485 /nfs/dbraw/zinc/33/64/85/489336485.db2.gz IDGYNYCSXVFMQQ-GDBMZVCRSA-N 2 2 359.474 0.778 10 0 FCAELP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000286105022 489356687 /nfs/dbraw/zinc/35/66/87/489356687.db2.gz VRKUMSSXPAFMBR-CQSZACIVSA-N 2 2 362.478 0.280 10 0 FCAELP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000286105022 489356690 /nfs/dbraw/zinc/35/66/90/489356690.db2.gz VRKUMSSXPAFMBR-CQSZACIVSA-N 2 2 362.478 0.280 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000370507920 489368504 /nfs/dbraw/zinc/36/85/04/489368504.db2.gz MJMKDGRGQGSYLK-INIZCTEOSA-N 2 2 363.506 0.811 10 0 FCAELP CN(C(=O)C(=O)NCc1[nH+]ccn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000286601116 489408904 /nfs/dbraw/zinc/40/89/04/489408904.db2.gz IIXMOLYJQGPFNT-MRXNPFEDSA-N 2 2 355.442 0.769 10 0 FCAELP CN(C(=O)C(=O)NCc1[nH+]ccn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000286601116 489408905 /nfs/dbraw/zinc/40/89/05/489408905.db2.gz IIXMOLYJQGPFNT-MRXNPFEDSA-N 2 2 355.442 0.769 10 0 FCAELP C[N@@H+]1CCC[C@H](N2CC[NH+](CC(=O)N3CCO[C@@H]4CCCC[C@@H]43)CC2)C1 ZINC000363217829 489439438 /nfs/dbraw/zinc/43/94/38/489439438.db2.gz CDIMVVSBUQJXLF-GBESFXJTSA-N 2 2 364.534 0.868 10 0 FCAELP C[N@H+]1CCC[C@H](N2CC[NH+](CC(=O)N3CCO[C@@H]4CCCC[C@@H]43)CC2)C1 ZINC000363217829 489439441 /nfs/dbraw/zinc/43/94/41/489439441.db2.gz CDIMVVSBUQJXLF-GBESFXJTSA-N 2 2 364.534 0.868 10 0 FCAELP COCCC[N@H+](C)CCNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000363290930 489448718 /nfs/dbraw/zinc/44/87/18/489448718.db2.gz JFGDVIUPVMXSEE-QGZVFWFLSA-N 2 2 356.511 0.851 10 0 FCAELP COCCC[N@@H+](C)CCNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000363290930 489448721 /nfs/dbraw/zinc/44/87/21/489448721.db2.gz JFGDVIUPVMXSEE-QGZVFWFLSA-N 2 2 356.511 0.851 10 0 FCAELP CCC[N@H+](Cc1nc(N)nc(N)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000363287199 489448774 /nfs/dbraw/zinc/44/87/74/489448774.db2.gz BLCNRVKKLHXQSJ-UHFFFAOYSA-N 2 2 371.493 0.985 10 0 FCAELP CCC[N@@H+](Cc1nc(N)nc(N)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000363287199 489448776 /nfs/dbraw/zinc/44/87/76/489448776.db2.gz BLCNRVKKLHXQSJ-UHFFFAOYSA-N 2 2 371.493 0.985 10 0 FCAELP C[NH+]1CCC(CNC(=O)C(=O)NCc2ccoc2)([NH+]2CCCCC2)CC1 ZINC000555568752 491255860 /nfs/dbraw/zinc/25/58/60/491255860.db2.gz PHGPBKRUVIRORY-UHFFFAOYSA-N 2 2 362.474 0.962 10 0 FCAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451437228 489503856 /nfs/dbraw/zinc/50/38/56/489503856.db2.gz SVYGMQZJGGKERC-CXAGYDPISA-N 2 2 354.401 0.821 10 0 FCAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000451437228 489503859 /nfs/dbraw/zinc/50/38/59/489503859.db2.gz SVYGMQZJGGKERC-CXAGYDPISA-N 2 2 354.401 0.821 10 0 FCAELP O=C(CC[N@@H+]1CCN2CCOC[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000371830125 489515641 /nfs/dbraw/zinc/51/56/41/489515641.db2.gz XVRYICGUNQCBBV-QGZVFWFLSA-N 2 2 359.474 0.137 10 0 FCAELP O=C(CC[N@H+]1CCN2CCOC[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000371830125 489515643 /nfs/dbraw/zinc/51/56/43/489515643.db2.gz XVRYICGUNQCBBV-QGZVFWFLSA-N 2 2 359.474 0.137 10 0 FCAELP COC(=O)[C@H]1C[N@H+](CCn2cc[nH+]c2C)[C@H](C)CN1CCn1cc[nH+]c1C ZINC000451729388 489520346 /nfs/dbraw/zinc/52/03/46/489520346.db2.gz VGFGYLKUXJJDAK-CRAIPNDOSA-N 3 2 374.489 0.944 10 0 FCAELP COC(=O)[C@H]1C[N@@H+](CCn2cc[nH+]c2C)[C@H](C)CN1CCn1cc[nH+]c1C ZINC000451729388 489520351 /nfs/dbraw/zinc/52/03/51/489520351.db2.gz VGFGYLKUXJJDAK-CRAIPNDOSA-N 3 2 374.489 0.944 10 0 FCAELP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000415624397 489538354 /nfs/dbraw/zinc/53/83/54/489538354.db2.gz NSNTYYNFEMILCA-RHSMWYFYSA-N 2 2 360.458 0.572 10 0 FCAELP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000415624399 489538482 /nfs/dbraw/zinc/53/84/82/489538482.db2.gz NSNTYYNFEMILCA-YOEHRIQHSA-N 2 2 360.458 0.572 10 0 FCAELP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000563653990 491261559 /nfs/dbraw/zinc/26/15/59/491261559.db2.gz CJIRTCPMDZIRKP-HZPDHXFCSA-N 2 2 354.495 0.156 10 0 FCAELP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[N@@H+](CCO)C[C@@H]2C)CC1 ZINC000452112876 489548113 /nfs/dbraw/zinc/54/81/13/489548113.db2.gz HBXCUPKPAFJSBK-IBGZPJMESA-N 2 2 374.529 0.638 10 0 FCAELP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[N@H+](CCO)C[C@@H]2C)CC1 ZINC000452112876 489548117 /nfs/dbraw/zinc/54/81/17/489548117.db2.gz HBXCUPKPAFJSBK-IBGZPJMESA-N 2 2 374.529 0.638 10 0 FCAELP Cc1cccc(C[NH+]2CCN(C(=O)CN3CC[N@@H+](CCO)C[C@@H]3C)CC2)c1 ZINC000452123653 489549315 /nfs/dbraw/zinc/54/93/15/489549315.db2.gz VNFBWYDYVMYQNF-IBGZPJMESA-N 2 2 374.529 0.638 10 0 FCAELP Cc1cccc(C[NH+]2CCN(C(=O)CN3CC[N@H+](CCO)C[C@@H]3C)CC2)c1 ZINC000452123653 489549318 /nfs/dbraw/zinc/54/93/18/489549318.db2.gz VNFBWYDYVMYQNF-IBGZPJMESA-N 2 2 374.529 0.638 10 0 FCAELP [NH3+][C@@H]1CN(C(=O)NCC[NH+]2CCOCC2)CC[C@H]1c1ccc(F)cc1 ZINC000416445805 489593471 /nfs/dbraw/zinc/59/34/71/489593471.db2.gz MTLJIEJYVRDMPR-DLBZAZTESA-N 2 2 350.438 0.984 10 0 FCAELP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000416663836 489624255 /nfs/dbraw/zinc/62/42/55/489624255.db2.gz MKTNIYHJYSITKH-LSDHHAIUSA-N 2 2 355.504 0.824 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000416663836 489624258 /nfs/dbraw/zinc/62/42/58/489624258.db2.gz MKTNIYHJYSITKH-LSDHHAIUSA-N 2 2 355.504 0.824 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCOC3(CCOCC3)C2)C1 ZINC000372748608 489632706 /nfs/dbraw/zinc/63/27/06/489632706.db2.gz RKWTZMUKIIFMNY-KRWDZBQOSA-N 2 2 369.506 0.341 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCOC3(CCOCC3)C2)C1 ZINC000372748608 489632709 /nfs/dbraw/zinc/63/27/09/489632709.db2.gz RKWTZMUKIIFMNY-KRWDZBQOSA-N 2 2 369.506 0.341 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCOC3(CCOCC3)C2)C1 ZINC000372748608 489632710 /nfs/dbraw/zinc/63/27/10/489632710.db2.gz RKWTZMUKIIFMNY-KRWDZBQOSA-N 2 2 369.506 0.341 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCOC3(CCOCC3)C2)C1 ZINC000372748608 489632711 /nfs/dbraw/zinc/63/27/11/489632711.db2.gz RKWTZMUKIIFMNY-KRWDZBQOSA-N 2 2 369.506 0.341 10 0 FCAELP CC[C@H](COC)[NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000372817614 489639382 /nfs/dbraw/zinc/63/93/82/489639382.db2.gz IHWCFPDDJRRPPL-JKSUJKDBSA-N 2 2 363.506 0.848 10 0 FCAELP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[NH2+]C[C@@](C)(F)C2)CC1 ZINC000417050139 489639823 /nfs/dbraw/zinc/63/98/23/489639823.db2.gz IZANDMVKELWRFB-QGZVFWFLSA-N 2 2 357.474 0.320 10 0 FCAELP CC[NH+]1CCN(CC(C)(C)NC(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000457744281 489655753 /nfs/dbraw/zinc/65/57/53/489655753.db2.gz MRMDTADKDYXQJM-UHFFFAOYSA-N 2 2 369.554 0.814 10 0 FCAELP CCN1CC[NH+](CC(C)(C)NC(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000457744281 489655756 /nfs/dbraw/zinc/65/57/56/489655756.db2.gz MRMDTADKDYXQJM-UHFFFAOYSA-N 2 2 369.554 0.814 10 0 FCAELP O=C(NCC[C@H]1CC[NH2+]C1)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000417715096 489662208 /nfs/dbraw/zinc/66/22/08/489662208.db2.gz SJDOFBIQXPJCQA-OAHLLOKOSA-N 2 2 351.495 0.230 10 0 FCAELP [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCC[NH+]3CCN(C(=O)C4CCC4)CC3)C[C@H]12 ZINC000417710956 489662412 /nfs/dbraw/zinc/66/24/12/489662412.db2.gz PQIHCHHIUIMXFZ-YESZJQIVSA-N 2 2 363.506 0.309 10 0 FCAELP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000418444851 489699009 /nfs/dbraw/zinc/69/90/09/489699009.db2.gz GTXKFKHCDJTUFM-WMLDXEAASA-N 2 2 359.474 0.681 10 0 FCAELP C[NH+]1CCC(CNC(=O)C(=O)Nc2cnns2)([NH+]2CCCCC2)CC1 ZINC000430043543 489717041 /nfs/dbraw/zinc/71/70/41/489717041.db2.gz SUYKKRANHFTRFN-UHFFFAOYSA-N 2 2 366.491 0.543 10 0 FCAELP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000418799356 489729973 /nfs/dbraw/zinc/72/99/73/489729973.db2.gz HSFLHYQYVMXJJB-CHWSQXEVSA-N 2 2 368.428 0.851 10 0 FCAELP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000418799356 489729976 /nfs/dbraw/zinc/72/99/76/489729976.db2.gz HSFLHYQYVMXJJB-CHWSQXEVSA-N 2 2 368.428 0.851 10 0 FCAELP C[NH2+]CCNC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000418806012 489732273 /nfs/dbraw/zinc/73/22/73/489732273.db2.gz OHDRXUSHVONKHF-LBPRGKRZSA-N 2 2 354.401 0.381 10 0 FCAELP C[NH2+]CCNC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000418806012 489732276 /nfs/dbraw/zinc/73/22/76/489732276.db2.gz OHDRXUSHVONKHF-LBPRGKRZSA-N 2 2 354.401 0.381 10 0 FCAELP Cn1nccc1[C@@H](CO)[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000459730931 489750701 /nfs/dbraw/zinc/75/07/01/489750701.db2.gz CFEHURSOIWEWJM-QGZVFWFLSA-N 2 2 357.458 0.388 10 0 FCAELP CC(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NCC[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000418869399 489767041 /nfs/dbraw/zinc/76/70/41/489767041.db2.gz QXWRFBUQSOOLQV-LSDHHAIUSA-N 2 2 354.401 0.680 10 0 FCAELP CC(C)[N@H+]1CC[C@H](NC(=O)C(=O)NCC[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000418869399 489767045 /nfs/dbraw/zinc/76/70/45/489767045.db2.gz QXWRFBUQSOOLQV-LSDHHAIUSA-N 2 2 354.401 0.680 10 0 FCAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418883274 489774289 /nfs/dbraw/zinc/77/42/89/489774289.db2.gz CCEOMIRZTMEZIY-HIFRSBDPSA-N 2 2 357.458 0.965 10 0 FCAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418884688 489774502 /nfs/dbraw/zinc/77/45/02/489774502.db2.gz GDGPZFSMALZGSO-CZUORRHYSA-N 2 2 357.458 0.965 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000418902263 489783289 /nfs/dbraw/zinc/78/32/89/489783289.db2.gz GPERNYGVPOVCHP-TUKIKUTGSA-N 2 2 368.840 0.900 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000418902263 489783293 /nfs/dbraw/zinc/78/32/93/489783293.db2.gz GPERNYGVPOVCHP-TUKIKUTGSA-N 2 2 368.840 0.900 10 0 FCAELP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418904706 489784563 /nfs/dbraw/zinc/78/45/63/489784563.db2.gz JGDUMVHQTKTPAQ-KGLIPLIRSA-N 2 2 356.829 0.806 10 0 FCAELP CC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418904706 489784567 /nfs/dbraw/zinc/78/45/67/489784567.db2.gz JGDUMVHQTKTPAQ-KGLIPLIRSA-N 2 2 356.829 0.806 10 0 FCAELP C[NH2+]CCCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000418908166 489785372 /nfs/dbraw/zinc/78/53/72/489785372.db2.gz MJVGLUBWLFEFCH-GJZGRUSLSA-N 2 2 352.866 0.927 10 0 FCAELP C[NH2+]CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000418908166 489785376 /nfs/dbraw/zinc/78/53/76/489785376.db2.gz MJVGLUBWLFEFCH-GJZGRUSLSA-N 2 2 352.866 0.927 10 0 FCAELP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000459929356 489797117 /nfs/dbraw/zinc/79/71/17/489797117.db2.gz FKCCAUHGNXTWIZ-KRWDZBQOSA-N 2 2 366.506 0.252 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)c1 ZINC000418995025 489812112 /nfs/dbraw/zinc/81/21/12/489812112.db2.gz QQUSOBVXPBXCLO-SJORKVTESA-N 2 2 373.432 0.561 10 0 FCAELP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000418992625 489812298 /nfs/dbraw/zinc/81/22/98/489812298.db2.gz OCKNPGNUOSRXTO-MRXNPFEDSA-N 2 2 371.441 0.261 10 0 FCAELP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000431773048 489818727 /nfs/dbraw/zinc/81/87/27/489818727.db2.gz NRBNJADZTPMWFD-SJORKVTESA-N 2 2 366.506 0.300 10 0 FCAELP C[N@H+]1CCCC[C@H]1CCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000431773048 489818732 /nfs/dbraw/zinc/81/87/32/489818732.db2.gz NRBNJADZTPMWFD-SJORKVTESA-N 2 2 366.506 0.300 10 0 FCAELP COCCO[C@H]1CC[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000376969551 489827743 /nfs/dbraw/zinc/82/77/43/489827743.db2.gz WLANOWBQPXQILG-IRXDYDNUSA-N 2 2 357.495 0.197 10 0 FCAELP COCCO[C@H]1CC[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000376969551 489827745 /nfs/dbraw/zinc/82/77/45/489827745.db2.gz WLANOWBQPXQILG-IRXDYDNUSA-N 2 2 357.495 0.197 10 0 FCAELP COCCO[C@H]1CC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000376969551 489827748 /nfs/dbraw/zinc/82/77/48/489827748.db2.gz WLANOWBQPXQILG-IRXDYDNUSA-N 2 2 357.495 0.197 10 0 FCAELP COCCO[C@H]1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000376969551 489827752 /nfs/dbraw/zinc/82/77/52/489827752.db2.gz WLANOWBQPXQILG-IRXDYDNUSA-N 2 2 357.495 0.197 10 0 FCAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000555906648 491281950 /nfs/dbraw/zinc/28/19/50/491281950.db2.gz UGZROODAZHBHEN-GFCCVEGCSA-N 2 2 361.833 0.957 10 0 FCAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000555906648 491281952 /nfs/dbraw/zinc/28/19/52/491281952.db2.gz UGZROODAZHBHEN-GFCCVEGCSA-N 2 2 361.833 0.957 10 0 FCAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000555906649 491282185 /nfs/dbraw/zinc/28/21/85/491282185.db2.gz UGZROODAZHBHEN-LBPRGKRZSA-N 2 2 361.833 0.957 10 0 FCAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000555906649 491282186 /nfs/dbraw/zinc/28/21/86/491282186.db2.gz UGZROODAZHBHEN-LBPRGKRZSA-N 2 2 361.833 0.957 10 0 FCAELP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000419113418 489860956 /nfs/dbraw/zinc/86/09/56/489860956.db2.gz GQOFFHXSQGGTJS-SJORKVTESA-N 2 2 362.474 0.276 10 0 FCAELP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419119860 489864172 /nfs/dbraw/zinc/86/41/72/489864172.db2.gz POJVKOOSPHIYJL-MRXNPFEDSA-N 2 2 359.474 0.946 10 0 FCAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419122784 489867495 /nfs/dbraw/zinc/86/74/95/489867495.db2.gz UQZDBGKFRZNMEQ-OLZOCXBDSA-N 2 2 361.833 0.957 10 0 FCAELP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000420103318 489913186 /nfs/dbraw/zinc/91/31/86/489913186.db2.gz PGVDJLGPMHBQPQ-FUHWJXTLSA-N 2 2 358.486 0.753 10 0 FCAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000420111061 489915581 /nfs/dbraw/zinc/91/55/81/489915581.db2.gz CHNFYESEJQBCOF-LZLYRXPVSA-N 2 2 358.486 0.834 10 0 FCAELP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000420111061 489915586 /nfs/dbraw/zinc/91/55/86/489915586.db2.gz CHNFYESEJQBCOF-LZLYRXPVSA-N 2 2 358.486 0.834 10 0 FCAELP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)cc1 ZINC000420111798 489916619 /nfs/dbraw/zinc/91/66/19/489916619.db2.gz CSYSWLGOTLLZAK-CQSZACIVSA-N 2 2 362.474 0.550 10 0 FCAELP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)cc1 ZINC000420111798 489916622 /nfs/dbraw/zinc/91/66/22/489916622.db2.gz CSYSWLGOTLLZAK-CQSZACIVSA-N 2 2 362.474 0.550 10 0 FCAELP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CC[NH2+]C[C@H]1C(F)F ZINC000377565578 489920379 /nfs/dbraw/zinc/92/03/79/489920379.db2.gz SREYGCLCTVWNKY-INIZCTEOSA-N 2 2 352.429 0.870 10 0 FCAELP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[N@H+](CCO)C[C@H]3C)CC2)CC1 ZINC000571176967 491290621 /nfs/dbraw/zinc/29/06/21/491290621.db2.gz GXZRTXOMJCNXIK-QGZVFWFLSA-N 3 2 366.550 0.708 10 0 FCAELP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[N@@H+](CCO)C[C@H]3C)CC2)CC1 ZINC000571176967 491290623 /nfs/dbraw/zinc/29/06/23/491290623.db2.gz GXZRTXOMJCNXIK-QGZVFWFLSA-N 3 2 366.550 0.708 10 0 FCAELP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000420364902 489968364 /nfs/dbraw/zinc/96/83/64/489968364.db2.gz PNODGCUWXYZHTF-AWEZNQCLSA-N 2 2 352.504 0.996 10 0 FCAELP NC(=O)CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420383895 489969859 /nfs/dbraw/zinc/96/98/59/489969859.db2.gz SXGRBXAENQVBSR-FQEVSTJZSA-N 2 2 358.486 0.966 10 0 FCAELP NC(=O)CCN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420383895 489969860 /nfs/dbraw/zinc/96/98/60/489969860.db2.gz SXGRBXAENQVBSR-FQEVSTJZSA-N 2 2 358.486 0.966 10 0 FCAELP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000377958939 489987140 /nfs/dbraw/zinc/98/71/40/489987140.db2.gz HRGGRZBAQVUADC-AWEZNQCLSA-N 2 2 371.441 0.962 10 0 FCAELP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000377958939 489987142 /nfs/dbraw/zinc/98/71/42/489987142.db2.gz HRGGRZBAQVUADC-AWEZNQCLSA-N 2 2 371.441 0.962 10 0 FCAELP C[NH+](C)[C@H](CNC(=O)C(=O)NCc1ccc2c[nH+]cn2c1)c1ccco1 ZINC000420761511 490019797 /nfs/dbraw/zinc/01/97/97/490019797.db2.gz HHNUFCRMMPUFKX-OAHLLOKOSA-N 2 2 355.398 0.963 10 0 FCAELP CNC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000420968724 490036365 /nfs/dbraw/zinc/03/63/65/490036365.db2.gz CPLOPEMZQBWGHT-SFHVURJKSA-N 2 2 358.486 0.707 10 0 FCAELP CNC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000420968724 490036368 /nfs/dbraw/zinc/03/63/68/490036368.db2.gz CPLOPEMZQBWGHT-SFHVURJKSA-N 2 2 358.486 0.707 10 0 FCAELP CC(C)[C@H](CNC(=O)C(=O)NCc1ccc2c[nH+]cn2c1)[NH+]1CCOCC1 ZINC000421197254 490054577 /nfs/dbraw/zinc/05/45/77/490054577.db2.gz GWATVBADROAVPU-KRWDZBQOSA-N 2 2 373.457 0.424 10 0 FCAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C[C@H]2C1 ZINC000520566425 490163814 /nfs/dbraw/zinc/16/38/14/490163814.db2.gz ZIWDETFPBLNMDP-FLXSYLCISA-N 2 2 351.491 0.713 10 0 FCAELP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000556310774 491309112 /nfs/dbraw/zinc/30/91/12/491309112.db2.gz ASMKFXLMFPRNMZ-CVEARBPZSA-N 2 2 363.462 0.101 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000507919360 490278793 /nfs/dbraw/zinc/27/87/93/490278793.db2.gz OZQLHUKGGRBYBH-ALOPSCKCSA-N 2 2 366.506 0.299 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000507919360 490278795 /nfs/dbraw/zinc/27/87/95/490278795.db2.gz OZQLHUKGGRBYBH-ALOPSCKCSA-N 2 2 366.506 0.299 10 0 FCAELP Cc1ccc(C[NH+](CCO)CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)o1 ZINC000483193732 490292456 /nfs/dbraw/zinc/29/24/56/490292456.db2.gz HXCPZTGVQVWERC-GOSISDBHSA-N 2 2 367.490 0.855 10 0 FCAELP Cc1ccc(C[NH+](CCO)CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)o1 ZINC000483193732 490292461 /nfs/dbraw/zinc/29/24/61/490292461.db2.gz HXCPZTGVQVWERC-GOSISDBHSA-N 2 2 367.490 0.855 10 0 FCAELP Cc1ccc(C[N@@H+](CCO)CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)o1 ZINC000483193732 490292468 /nfs/dbraw/zinc/29/24/68/490292468.db2.gz HXCPZTGVQVWERC-GOSISDBHSA-N 2 2 367.490 0.855 10 0 FCAELP Cc1ccc(C[N@H+](CCO)CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)o1 ZINC000483193732 490292476 /nfs/dbraw/zinc/29/24/76/490292476.db2.gz HXCPZTGVQVWERC-GOSISDBHSA-N 2 2 367.490 0.855 10 0 FCAELP C[C@H]1OCC[C@@H]1[N@H+](CCO)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000483291030 490301481 /nfs/dbraw/zinc/30/14/81/490301481.db2.gz CWFAAXOMZBMSRQ-WBVHZDCISA-N 2 2 367.515 0.864 10 0 FCAELP C[C@H]1OCC[C@@H]1[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000483291030 490301487 /nfs/dbraw/zinc/30/14/87/490301487.db2.gz CWFAAXOMZBMSRQ-WBVHZDCISA-N 2 2 367.515 0.864 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000422474145 490342562 /nfs/dbraw/zinc/34/25/62/490342562.db2.gz GNHJEKMOCGSQKQ-MRXNPFEDSA-N 2 2 361.421 0.637 10 0 FCAELP CC[NH+]1CCN(CC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000468105386 490365112 /nfs/dbraw/zinc/36/51/12/490365112.db2.gz YKYKQIAIVISHRG-UHFFFAOYSA-N 2 2 373.501 0.650 10 0 FCAELP Cc1cc(N2CCN(C(=O)C[N@@H+]3C[C@H](C)[C@H](O)C3)CC2)nc(C(C)C)[nH+]1 ZINC000509133748 490393074 /nfs/dbraw/zinc/39/30/74/490393074.db2.gz BBERODZYJOOLII-GOEBONIOSA-N 2 2 361.490 0.870 10 0 FCAELP Cc1cc(N2CCN(C(=O)C[N@H+]3C[C@H](C)[C@H](O)C3)CC2)nc(C(C)C)[nH+]1 ZINC000509133748 490393079 /nfs/dbraw/zinc/39/30/79/490393079.db2.gz BBERODZYJOOLII-GOEBONIOSA-N 2 2 361.490 0.870 10 0 FCAELP O=C(C[N@H+]1C[C@H](O)C2(CC2)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000548298523 490458379 /nfs/dbraw/zinc/45/83/79/490458379.db2.gz SMYWNOQAMKVICS-SFHVURJKSA-N 2 2 359.470 0.592 10 0 FCAELP O=C(C[N@@H+]1C[C@H](O)C2(CC2)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000548298523 490458383 /nfs/dbraw/zinc/45/83/83/490458383.db2.gz SMYWNOQAMKVICS-SFHVURJKSA-N 2 2 359.470 0.592 10 0 FCAELP O=C1NC2(CCCC2)C(=O)N1CCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422780545 490476380 /nfs/dbraw/zinc/47/63/80/490476380.db2.gz HRBNGTOYKDITSF-CABCVRRESA-N 2 2 350.463 0.598 10 0 FCAELP c1cnc(N2CCN(CCC[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)CC2)nc1 ZINC000422824695 490481791 /nfs/dbraw/zinc/48/17/91/490481791.db2.gz HWFYNZNGHRTXIJ-ZWKOTPCHSA-N 2 2 360.506 0.345 10 0 FCAELP CS(=O)(=O)c1ccc(OCC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422862957 490487964 /nfs/dbraw/zinc/48/79/64/490487964.db2.gz QVFJKSQFLBAXJB-DLBZAZTESA-N 2 2 354.472 0.826 10 0 FCAELP C[C@]1(c2ccc(C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)cc2)NC(=O)NC1=O ZINC000422883057 490491341 /nfs/dbraw/zinc/49/13/41/490491341.db2.gz UGDOKLINIWSIII-FRQCXROJSA-N 2 2 358.442 0.598 10 0 FCAELP O=S(=O)(CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)NCc1ccccc1 ZINC000422933554 490501400 /nfs/dbraw/zinc/50/14/00/490501400.db2.gz IAYAQQOUKAEXFA-IRXDYDNUSA-N 2 2 353.488 0.463 10 0 FCAELP Cc1cc(CNC(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)cc(C)[nH+]1 ZINC000422970479 490507624 /nfs/dbraw/zinc/50/76/24/490507624.db2.gz GIAUQDPAPPQAPW-KRWDZBQOSA-N 2 2 353.426 0.883 10 0 FCAELP C[NH+]1CCN(c2cc(C(=O)NC(C)(C)C[NH+]3CCOCC3)ccn2)CC1 ZINC000413966301 490526495 /nfs/dbraw/zinc/52/64/95/490526495.db2.gz KPHYVVSVXPIDFT-UHFFFAOYSA-N 2 2 361.490 0.674 10 0 FCAELP C[C@H]1C[C@H](NC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CC[N@@H+]1C ZINC000524723028 490555335 /nfs/dbraw/zinc/55/53/35/490555335.db2.gz CQEMHEBPWSBEBZ-DOTOQJQBSA-N 2 2 365.522 0.713 10 0 FCAELP C[C@H]1C[C@H](NC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CC[N@H+]1C ZINC000524723028 490555338 /nfs/dbraw/zinc/55/53/38/490555338.db2.gz CQEMHEBPWSBEBZ-DOTOQJQBSA-N 2 2 365.522 0.713 10 0 FCAELP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000524787503 490560224 /nfs/dbraw/zinc/56/02/24/490560224.db2.gz NZQDYTXMTQGMMC-IAGOWNOFSA-N 2 2 354.495 0.603 10 0 FCAELP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000524787503 490560228 /nfs/dbraw/zinc/56/02/28/490560228.db2.gz NZQDYTXMTQGMMC-IAGOWNOFSA-N 2 2 354.495 0.603 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@H](C)C(=O)NC(C)(C)C)C1 ZINC000485861047 490564804 /nfs/dbraw/zinc/56/48/04/490564804.db2.gz FVTZHPPDZHGOBQ-CVEARBPZSA-N 2 2 370.538 0.694 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@H](C)C(=O)NC(C)(C)C)C1 ZINC000485861047 490564806 /nfs/dbraw/zinc/56/48/06/490564806.db2.gz FVTZHPPDZHGOBQ-CVEARBPZSA-N 2 2 370.538 0.694 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C)C1 ZINC000485861047 490564810 /nfs/dbraw/zinc/56/48/10/490564810.db2.gz FVTZHPPDZHGOBQ-CVEARBPZSA-N 2 2 370.538 0.694 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C)C1 ZINC000485861047 490564812 /nfs/dbraw/zinc/56/48/12/490564812.db2.gz FVTZHPPDZHGOBQ-CVEARBPZSA-N 2 2 370.538 0.694 10 0 FCAELP COC[C@@H](CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)OC ZINC000511231372 490572559 /nfs/dbraw/zinc/57/25/59/490572559.db2.gz HZVRUXWPTRSFTJ-MRXNPFEDSA-N 2 2 356.511 0.897 10 0 FCAELP C[NH+]1CCN(c2cccc(C(=O)NCCCC[NH+]3CCOCC3)n2)CC1 ZINC000502062636 490673220 /nfs/dbraw/zinc/67/32/20/490673220.db2.gz TVQRPFTYYVOUKX-UHFFFAOYSA-N 2 2 361.490 0.676 10 0 FCAELP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000565038536 491346849 /nfs/dbraw/zinc/34/68/49/491346849.db2.gz GTHIYPBHUYSGJP-HOTGVXAUSA-N 3 2 363.412 0.915 10 0 FCAELP COC(=O)C[C@@](C)([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000513148251 490710766 /nfs/dbraw/zinc/71/07/66/490710766.db2.gz FRSKDHDMBKRXMC-GOSISDBHSA-N 2 2 351.422 0.968 10 0 FCAELP COC(=O)C[C@](C)([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000513148253 490710883 /nfs/dbraw/zinc/71/08/83/490710883.db2.gz FRSKDHDMBKRXMC-SFHVURJKSA-N 2 2 351.422 0.968 10 0 FCAELP COC(=O)c1cc2c(cc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])OCO2 ZINC000557013366 491349187 /nfs/dbraw/zinc/34/91/87/491349187.db2.gz DUXYXBRCNDVZAA-JTQLQIEISA-N 2 2 350.375 0.309 10 0 FCAELP COC(=O)c1cc2c(cc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])OCO2 ZINC000557013366 491349189 /nfs/dbraw/zinc/34/91/89/491349189.db2.gz DUXYXBRCNDVZAA-JTQLQIEISA-N 2 2 350.375 0.309 10 0 FCAELP Cc1ccccc1CC(=O)N1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000513881942 490752911 /nfs/dbraw/zinc/75/29/11/490752911.db2.gz YIRMIXYWTMIVNT-UHFFFAOYSA-N 2 2 372.513 0.846 10 0 FCAELP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)CC1 ZINC000528897698 490831516 /nfs/dbraw/zinc/83/15/16/490831516.db2.gz ZNIIEERAKYVBHV-WKILWMFISA-N 2 2 358.446 0.940 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)NCCCCn2cc[nH+]c2)C1=O ZINC000541190456 490854200 /nfs/dbraw/zinc/85/42/00/490854200.db2.gz XXJLKYBYKKCCNQ-HNNXBMFYSA-N 2 2 373.461 0.887 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N2CC[NH+](C3CCC3)CC2)C1=O ZINC000541197299 490854723 /nfs/dbraw/zinc/85/47/23/490854723.db2.gz BWYPMDGNIWKOIO-INIZCTEOSA-N 2 2 374.489 0.791 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1=O ZINC000542114954 490885450 /nfs/dbraw/zinc/88/54/50/490885450.db2.gz CUVGQWQJBCXVAQ-HRCADAONSA-N 2 2 374.489 0.837 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1=O ZINC000542114954 490885452 /nfs/dbraw/zinc/88/54/52/490885452.db2.gz CUVGQWQJBCXVAQ-HRCADAONSA-N 2 2 374.489 0.837 10 0 FCAELP CC(C)N(C(=O)[C@H](C)[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1)C(C)C ZINC000530223566 490893545 /nfs/dbraw/zinc/89/35/45/490893545.db2.gz OMFHHCJHBFWVLQ-INIZCTEOSA-N 2 2 353.511 0.663 10 0 FCAELP CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530228404 490894316 /nfs/dbraw/zinc/89/43/16/490894316.db2.gz SJKXMLGSJRIFAE-SJORKVTESA-N 2 2 365.522 0.809 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H](CO)c2cccc(F)c2)C1 ZINC000542884385 490913701 /nfs/dbraw/zinc/91/37/01/490913701.db2.gz XASRENXSWQFVBX-ZWKOTPCHSA-N 2 2 367.465 0.922 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H](CO)c2cccc(F)c2)C1 ZINC000542884385 490913702 /nfs/dbraw/zinc/91/37/02/490913702.db2.gz XASRENXSWQFVBX-ZWKOTPCHSA-N 2 2 367.465 0.922 10 0 FCAELP CN(CCC[NH3+])C(=O)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000565250533 491365237 /nfs/dbraw/zinc/36/52/37/491365237.db2.gz PUOPUAHJUWROTK-ZDUSSCGKSA-N 2 2 368.428 0.853 10 0 FCAELP CN(CCC[NH3+])C(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000565250533 491365239 /nfs/dbraw/zinc/36/52/39/491365239.db2.gz PUOPUAHJUWROTK-ZDUSSCGKSA-N 2 2 368.428 0.853 10 0 FCAELP CC[NH+](CC)CC(=O)N1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000543656208 490940072 /nfs/dbraw/zinc/94/00/72/490940072.db2.gz GKRUBZKOBOGZSV-UHFFFAOYSA-N 2 2 361.490 0.775 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000518738444 490949503 /nfs/dbraw/zinc/94/95/03/490949503.db2.gz ODEKVZFSYYRATC-UHFFFAOYSA-N 2 2 370.457 0.656 10 0 FCAELP Cc1[nH+]ccn1CCNC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000543971469 490953730 /nfs/dbraw/zinc/95/37/30/490953730.db2.gz NFDRXMBYTZGYER-AWEZNQCLSA-N 2 2 359.434 0.415 10 0 FCAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000518979621 490957563 /nfs/dbraw/zinc/95/75/63/490957563.db2.gz PIGMXBSBGYNEAC-CABCVRRESA-N 2 2 352.431 0.591 10 0 FCAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000518979621 490957564 /nfs/dbraw/zinc/95/75/64/490957564.db2.gz PIGMXBSBGYNEAC-CABCVRRESA-N 2 2 352.431 0.591 10 0 FCAELP O=C(Cn1c[nH+]c2c1CCCC2)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000544240048 490962407 /nfs/dbraw/zinc/96/24/07/490962407.db2.gz DEGPZHYVDLRJRV-UHFFFAOYSA-N 2 2 362.474 0.448 10 0 FCAELP O=C(C[N@@H+]1CCN2CCOC[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000544523756 490971006 /nfs/dbraw/zinc/97/10/06/490971006.db2.gz IOUGFRKCCABGAH-IBGZPJMESA-N 2 2 358.486 0.347 10 0 FCAELP O=C(C[N@H+]1CCN2CCOC[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000544523756 490971007 /nfs/dbraw/zinc/97/10/07/490971007.db2.gz IOUGFRKCCABGAH-IBGZPJMESA-N 2 2 358.486 0.347 10 0 FCAELP CC1(C)C[NH+](CC(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000557583113 491385100 /nfs/dbraw/zinc/38/51/00/491385100.db2.gz YGFKCIXUNJYGTA-UHFFFAOYSA-N 2 2 358.486 0.789 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@H]1c1ccc(F)c(F)c1 ZINC000572875626 491399448 /nfs/dbraw/zinc/39/94/48/491399448.db2.gz QUVITGYRHKSOMX-ZMSDIMECSA-N 2 2 366.412 0.694 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@H]1c1ccc(F)c(F)c1 ZINC000572875626 491399451 /nfs/dbraw/zinc/39/94/51/491399451.db2.gz QUVITGYRHKSOMX-ZMSDIMECSA-N 2 2 366.412 0.694 10 0 FCAELP C[NH+]1CCC(CNC(=O)NC[C@H]2C[NH2+]CCO2)([NH+]2CCCCC2)CC1 ZINC000566057908 491414738 /nfs/dbraw/zinc/41/47/38/491414738.db2.gz FZBPRHXMINZKHV-MRXNPFEDSA-N 3 2 353.511 0.224 10 0 FCAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000566107198 491417676 /nfs/dbraw/zinc/41/76/76/491417676.db2.gz GNDBPTHZMIPJOJ-HUUCEWRRSA-N 2 2 361.442 0.344 10 0 FCAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000566107198 491417678 /nfs/dbraw/zinc/41/76/78/491417678.db2.gz GNDBPTHZMIPJOJ-HUUCEWRRSA-N 2 2 361.442 0.344 10 0 FCAELP CC1(C)C(NC(=O)Cn2cc[nH+]c2)C(C)(C)C1NC(=O)Cn1cc[nH+]c1 ZINC000573472459 491435443 /nfs/dbraw/zinc/43/54/43/491435443.db2.gz WEBDIOZWVDQJCA-UHFFFAOYSA-N 2 2 358.446 0.815 10 0 FCAELP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000573549334 491439699 /nfs/dbraw/zinc/43/96/99/491439699.db2.gz RXZZZIDTYCHZIT-SJLPKXTDSA-N 2 2 373.501 0.039 10 0 FCAELP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566738484 491463606 /nfs/dbraw/zinc/46/36/06/491463606.db2.gz WTZYLCAWZJHWDX-CXAGYDPISA-N 2 2 366.487 0.737 10 0 FCAELP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566738484 491463607 /nfs/dbraw/zinc/46/36/07/491463607.db2.gz WTZYLCAWZJHWDX-CXAGYDPISA-N 2 2 366.487 0.737 10 0 FCAELP C[N@@H+]1CCN(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)[C@@H](C[NH3+])C1 ZINC000566786211 491466359 /nfs/dbraw/zinc/46/63/59/491466359.db2.gz VFKHHFZJCCOAHQ-SFHVURJKSA-N 2 2 369.469 0.681 10 0 FCAELP C[N@H+]1CCN(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)[C@@H](C[NH3+])C1 ZINC000566786211 491466361 /nfs/dbraw/zinc/46/63/61/491466361.db2.gz VFKHHFZJCCOAHQ-SFHVURJKSA-N 2 2 369.469 0.681 10 0 FCAELP C[NH+]1CCC(CNC(=O)N2CCO[C@@H](C[NH3+])C2)([NH+]2CCCCC2)CC1 ZINC000574141902 491476651 /nfs/dbraw/zinc/47/66/51/491476651.db2.gz SNJYCADHPYZRKL-INIZCTEOSA-N 3 2 353.511 0.306 10 0 FCAELP Fc1cc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cnc1N1CCOCC1 ZINC000574392369 491492917 /nfs/dbraw/zinc/49/29/17/491492917.db2.gz RZMQCUBOKSBHGI-SJORKVTESA-N 2 2 350.438 0.914 10 0 FCAELP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000559780823 491499464 /nfs/dbraw/zinc/49/94/64/491499464.db2.gz VGEIFPCVEUCZBU-OAHLLOKOSA-N 2 2 354.495 0.062 10 0 FCAELP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000559899520 491508547 /nfs/dbraw/zinc/50/85/47/491508547.db2.gz CLRZSKDBDNBCTL-QGZVFWFLSA-N 2 2 373.501 0.965 10 0 FCAELP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000559899520 491508550 /nfs/dbraw/zinc/50/85/50/491508550.db2.gz CLRZSKDBDNBCTL-QGZVFWFLSA-N 2 2 373.501 0.965 10 0 FCAELP C[C@H]1C[C@H](NC(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[N@@H+]1C1CC1 ZINC000559903939 491509264 /nfs/dbraw/zinc/50/92/64/491509264.db2.gz RWCPHOPWVPXZPM-HOCLYGCPSA-N 2 2 371.485 0.908 10 0 FCAELP C[C@H]1C[C@H](NC(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[N@H+]1C1CC1 ZINC000559903939 491509266 /nfs/dbraw/zinc/50/92/66/491509266.db2.gz RWCPHOPWVPXZPM-HOCLYGCPSA-N 2 2 371.485 0.908 10 0 FCAELP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)N1CCC(C(=O)N2CCCC2)CC1 ZINC000575124164 491540665 /nfs/dbraw/zinc/54/06/65/491540665.db2.gz QXTNWEFGVGBZMM-HXUWFJFHSA-N 2 2 362.518 0.923 10 0 FCAELP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)N1CCC(C(=O)N2CCCC2)CC1 ZINC000575124164 491540667 /nfs/dbraw/zinc/54/06/67/491540667.db2.gz QXTNWEFGVGBZMM-HXUWFJFHSA-N 2 2 362.518 0.923 10 0 FCAELP CCN(C(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000668418530 493350155 /nfs/dbraw/zinc/35/01/55/493350155.db2.gz HFMJTYRNMHGESI-HRCADAONSA-N 2 2 368.522 0.543 10 0 FCAELP CCN(C(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000668418530 493350156 /nfs/dbraw/zinc/35/01/56/493350156.db2.gz HFMJTYRNMHGESI-HRCADAONSA-N 2 2 368.522 0.543 10 0 FCAELP CN(C)c1nc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc(=O)[nH]1 ZINC000683408433 493350616 /nfs/dbraw/zinc/35/06/16/493350616.db2.gz XYUPUESXXTUSRF-CQSZACIVSA-N 2 2 362.478 0.489 10 0 FCAELP CN(C)c1nc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc(=O)[nH]1 ZINC000683408433 493350618 /nfs/dbraw/zinc/35/06/18/493350618.db2.gz XYUPUESXXTUSRF-CQSZACIVSA-N 2 2 362.478 0.489 10 0 FCAELP O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000575854479 491565529 /nfs/dbraw/zinc/56/55/29/491565529.db2.gz LQDXMRGYKXIJQE-OAHLLOKOSA-N 2 2 350.488 0.651 10 0 FCAELP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000561014691 491570622 /nfs/dbraw/zinc/57/06/22/491570622.db2.gz LGQCCYKXCSJIBS-DLBZAZTESA-N 2 2 368.522 0.546 10 0 FCAELP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000561014691 491570624 /nfs/dbraw/zinc/57/06/24/491570624.db2.gz LGQCCYKXCSJIBS-DLBZAZTESA-N 2 2 368.522 0.546 10 0 FCAELP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000561014695 491570671 /nfs/dbraw/zinc/57/06/71/491570671.db2.gz LGQCCYKXCSJIBS-IRXDYDNUSA-N 2 2 368.522 0.546 10 0 FCAELP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000561014695 491570673 /nfs/dbraw/zinc/57/06/73/491570673.db2.gz LGQCCYKXCSJIBS-IRXDYDNUSA-N 2 2 368.522 0.546 10 0 FCAELP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)CC1 ZINC000568670995 491599322 /nfs/dbraw/zinc/59/93/22/491599322.db2.gz MEWBCFPRYFUZBQ-KURKYZTESA-N 2 2 353.507 0.839 10 0 FCAELP CC[NH+]1CCC(NC(=O)C[N@H+]2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)CC1 ZINC000568670995 491599323 /nfs/dbraw/zinc/59/93/23/491599323.db2.gz MEWBCFPRYFUZBQ-KURKYZTESA-N 2 2 353.507 0.839 10 0 FCAELP COCC[N@H+](C)C[C@@H](O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000576288953 491602718 /nfs/dbraw/zinc/60/27/18/491602718.db2.gz MWZUZUHDTKGPEJ-ZZJWQFMZSA-N 3 2 354.539 0.168 10 0 FCAELP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000576288953 491602721 /nfs/dbraw/zinc/60/27/21/491602721.db2.gz MWZUZUHDTKGPEJ-ZZJWQFMZSA-N 3 2 354.539 0.168 10 0 FCAELP COCC[NH+](C)C[C@@H](O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000576288953 491602723 /nfs/dbraw/zinc/60/27/23/491602723.db2.gz MWZUZUHDTKGPEJ-ZZJWQFMZSA-N 3 2 354.539 0.168 10 0 FCAELP COCC[NH+](C)C[C@@H](O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000576288953 491602724 /nfs/dbraw/zinc/60/27/24/491602724.db2.gz MWZUZUHDTKGPEJ-ZZJWQFMZSA-N 3 2 354.539 0.168 10 0 FCAELP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCOC[C@@H](O)C2)CC1 ZINC000568715394 491603397 /nfs/dbraw/zinc/60/33/97/491603397.db2.gz BFGUINWQOJGNHP-IBGZPJMESA-N 2 2 361.486 0.722 10 0 FCAELP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCOC[C@@H](O)C2)CC1 ZINC000568715394 491603399 /nfs/dbraw/zinc/60/33/99/491603399.db2.gz BFGUINWQOJGNHP-IBGZPJMESA-N 2 2 361.486 0.722 10 0 FCAELP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCOC[C@@H](O)C2)CC1 ZINC000568715394 491603401 /nfs/dbraw/zinc/60/34/01/491603401.db2.gz BFGUINWQOJGNHP-IBGZPJMESA-N 2 2 361.486 0.722 10 0 FCAELP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCOC[C@@H](O)C2)CC1 ZINC000568715394 491603403 /nfs/dbraw/zinc/60/34/03/491603403.db2.gz BFGUINWQOJGNHP-IBGZPJMESA-N 2 2 361.486 0.722 10 0 FCAELP C[C@H]1COCC[N@@H+]1C1CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000568878605 491616327 /nfs/dbraw/zinc/61/63/27/491616327.db2.gz DVZBHFCPFWOSEJ-HOTGVXAUSA-N 2 2 359.536 0.843 10 0 FCAELP C[C@H]1COCC[N@H+]1C1CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000568878605 491616329 /nfs/dbraw/zinc/61/63/29/491616329.db2.gz DVZBHFCPFWOSEJ-HOTGVXAUSA-N 2 2 359.536 0.843 10 0 FCAELP C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C[C@H]1n1cc[nH+]c1 ZINC000576577218 491625971 /nfs/dbraw/zinc/62/59/71/491625971.db2.gz BDPIGMHGKZNSFR-GPMSIDNRSA-N 2 2 359.474 0.895 10 0 FCAELP CC[C@H](Cn1cncn1)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000562095882 491652982 /nfs/dbraw/zinc/65/29/82/491652982.db2.gz MGJSZOHVIUTXSB-MRXNPFEDSA-N 2 2 357.462 0.780 10 0 FCAELP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)[C@H](C)C1 ZINC000577023706 491665454 /nfs/dbraw/zinc/66/54/54/491665454.db2.gz ZHHJWRFOUGZWIB-CYBMUJFWSA-N 2 2 373.413 0.369 10 0 FCAELP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)[C@H](C)C1 ZINC000577023706 491665456 /nfs/dbraw/zinc/66/54/56/491665456.db2.gz ZHHJWRFOUGZWIB-CYBMUJFWSA-N 2 2 373.413 0.369 10 0 FCAELP CC(C)(CNC(=O)C[NH2+][C@](C)(CO)c1cccc(O)c1)[NH+]1CCOCC1 ZINC000578174582 491671502 /nfs/dbraw/zinc/67/15/02/491671502.db2.gz BEJSWIKMTIYRIY-LJQANCHMSA-N 2 2 365.474 0.416 10 0 FCAELP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000579217714 491693180 /nfs/dbraw/zinc/69/31/80/491693180.db2.gz HFSYOAIQYKXJRO-HIFRSBDPSA-N 2 2 350.488 0.507 10 0 FCAELP CC[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000579324066 491695372 /nfs/dbraw/zinc/69/53/72/491695372.db2.gz ZRWZIWHUTSGVJA-LSDHHAIUSA-N 2 2 362.478 0.647 10 0 FCAELP CC[C@H]1C[N@@H+](C)CCN1C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000579324066 491695373 /nfs/dbraw/zinc/69/53/73/491695373.db2.gz ZRWZIWHUTSGVJA-LSDHHAIUSA-N 2 2 362.478 0.647 10 0 FCAELP Cc1nc(NCc2cccc(C(=O)N3CC[N@@H+](CCO)C[C@H]3C)c2)cc[nH+]1 ZINC000584574314 491708030 /nfs/dbraw/zinc/70/80/30/491708030.db2.gz GELJEVBRHQYYAJ-OAHLLOKOSA-N 2 2 369.469 1.536 10 0 FCAELP Cc1nc(NCc2cccc(C(=O)N3CC[N@H+](CCO)C[C@H]3C)c2)cc[nH+]1 ZINC000584574314 491708031 /nfs/dbraw/zinc/70/80/31/491708031.db2.gz GELJEVBRHQYYAJ-OAHLLOKOSA-N 2 2 369.469 1.536 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)cc1 ZINC000580097903 491717391 /nfs/dbraw/zinc/71/73/91/491717391.db2.gz KSYFSNVZMVQYJI-ZNMIVQPWSA-N 2 2 350.850 0.680 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)cc1 ZINC000580097903 491717392 /nfs/dbraw/zinc/71/73/92/491717392.db2.gz KSYFSNVZMVQYJI-ZNMIVQPWSA-N 2 2 350.850 0.680 10 0 FCAELP 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C[N@H+]1CC[C@H](NC(=O)CN2CC[NH2+]CC2=O)[C@@H]1c1ccc(F)c(F)c1 ZINC000580548804 491735563 /nfs/dbraw/zinc/73/55/63/491735563.db2.gz KWOIANDNZGEPLQ-YOEHRIQHSA-N 2 2 352.385 0.258 10 0 FCAELP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000580773020 491745203 /nfs/dbraw/zinc/74/52/03/491745203.db2.gz PVEZMYQPCBNSIX-OAHLLOKOSA-N 2 2 356.430 0.727 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H](CO)c2ccc(F)cc2)C1 ZINC000581031649 491756451 /nfs/dbraw/zinc/75/64/51/491756451.db2.gz MCROJRDEVYADFS-QZTJIDSGSA-N 2 2 367.465 0.922 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H](CO)c2ccc(F)cc2)C1 ZINC000581031649 491756452 /nfs/dbraw/zinc/75/64/52/491756452.db2.gz MCROJRDEVYADFS-QZTJIDSGSA-N 2 2 367.465 0.922 10 0 FCAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC(CO)(c3ccccc3)C2)CC1 ZINC000581058826 491757197 /nfs/dbraw/zinc/75/71/97/491757197.db2.gz TYSZPRATKOKNNX-UHFFFAOYSA-N 2 2 360.502 0.968 10 0 FCAELP C[NH2+]C1CCN(C(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)CC1 ZINC000581251798 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FCAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC(=O)NCc1ccc(OCC(N)=O)cc1)C2 ZINC000629584543 492656669 /nfs/dbraw/zinc/65/66/69/492656669.db2.gz BFPWVQJLCPANSC-KDURUIRLSA-N 2 2 360.458 0.098 10 0 FCAELP CC(C)[NH+]1CCC(N2CCN(C(=O)NC[C@H]3COCC[N@@H+]3C)CC2)CC1 ZINC000624735487 492676791 /nfs/dbraw/zinc/67/67/91/492676791.db2.gz VONSAGZASPVRGF-SFHVURJKSA-N 2 2 367.538 0.517 10 0 FCAELP CC(C)[NH+]1CCC(N2CCN(C(=O)NC[C@H]3COCC[N@H+]3C)CC2)CC1 ZINC000624735487 492676793 /nfs/dbraw/zinc/67/67/93/492676793.db2.gz VONSAGZASPVRGF-SFHVURJKSA-N 2 2 367.538 0.517 10 0 FCAELP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000629801592 492678926 /nfs/dbraw/zinc/67/89/26/492678926.db2.gz BDRORIIVZIBFPF-UHFFFAOYSA-N 2 2 362.474 0.025 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)CC2 ZINC000629801911 492679860 /nfs/dbraw/zinc/67/98/60/492679860.db2.gz PKFNVTCOPBJGFA-NEPJUHHUSA-N 2 2 373.379 0.519 10 0 FCAELP CN1CCOC[C@@H]1CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000624741932 492680014 /nfs/dbraw/zinc/68/00/14/492680014.db2.gz WIXYIZNNOXCZLY-KRWDZBQOSA-N 2 2 367.538 0.567 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000657071710 492709165 /nfs/dbraw/zinc/70/91/65/492709165.db2.gz SMBQOYNWQVENFI-SOUVJXGZSA-N 2 2 350.529 0.202 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000657071710 492709168 /nfs/dbraw/zinc/70/91/68/492709168.db2.gz SMBQOYNWQVENFI-SOUVJXGZSA-N 2 2 350.529 0.202 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000657071601 492709314 /nfs/dbraw/zinc/70/93/14/492709314.db2.gz SIDVSDWAXBIXAB-ZDUSSCGKSA-N 2 2 356.492 0.336 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000657071601 492709319 /nfs/dbraw/zinc/70/93/19/492709319.db2.gz SIDVSDWAXBIXAB-ZDUSSCGKSA-N 2 2 356.492 0.336 10 0 FCAELP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651229376 492725567 /nfs/dbraw/zinc/72/55/67/492725567.db2.gz MPQAYQHCMCGQDY-MRXNPFEDSA-N 2 2 361.490 0.821 10 0 FCAELP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651229376 492725570 /nfs/dbraw/zinc/72/55/70/492725570.db2.gz MPQAYQHCMCGQDY-MRXNPFEDSA-N 2 2 361.490 0.821 10 0 FCAELP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000651348355 492745058 /nfs/dbraw/zinc/74/50/58/492745058.db2.gz PKBKSZWNOXCQIC-INIZCTEOSA-N 2 2 361.490 0.285 10 0 FCAELP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000651348355 492745060 /nfs/dbraw/zinc/74/50/60/492745060.db2.gz PKBKSZWNOXCQIC-INIZCTEOSA-N 2 2 361.490 0.285 10 0 FCAELP c1cc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000657364658 492749274 /nfs/dbraw/zinc/74/92/74/492749274.db2.gz YIKBUHYMUXRAKY-KRWDZBQOSA-N 3 2 356.474 0.763 10 0 FCAELP Cn1ncc(C(F)(F)F)c1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000657362786 492749535 /nfs/dbraw/zinc/74/95/35/492749535.db2.gz IHXHSKCHKOBFMM-ZDUSSCGKSA-N 2 2 361.412 0.935 10 0 FCAELP O=C1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CN1CC[NH+]1CCOCC1 ZINC000657366065 492749568 /nfs/dbraw/zinc/74/95/68/492749568.db2.gz BTEBPSJXNGJDAL-MRXNPFEDSA-N 3 2 370.457 0.290 10 0 FCAELP O=C([C@@H]1CC[C@@H]1C(=O)N1CC[NH+](C2CC2)CC1)N1CC[NH+](C2CC2)CC1 ZINC000630841100 492778279 /nfs/dbraw/zinc/77/82/79/492778279.db2.gz WUHBMQYIVRYVDB-HDICACEKSA-N 2 2 360.502 0.626 10 0 FCAELP CC(C)C[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)C(=O)NCC[NH+](C)C ZINC000651593688 492789693 /nfs/dbraw/zinc/78/96/93/492789693.db2.gz SZSUPCFJZBEDME-INIZCTEOSA-N 2 2 363.506 0.971 10 0 FCAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000644646137 492796456 /nfs/dbraw/zinc/79/64/56/492796456.db2.gz PMXKDWGZJICIOW-MSOLQXFVSA-N 2 2 369.531 0.883 10 0 FCAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000644646137 492796458 /nfs/dbraw/zinc/79/64/58/492796458.db2.gz PMXKDWGZJICIOW-MSOLQXFVSA-N 2 2 369.531 0.883 10 0 FCAELP CC(C)C[C@]1(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCNC1=O ZINC000631258862 492807695 /nfs/dbraw/zinc/80/76/95/492807695.db2.gz CVYWHKSSZKFIJL-HNAYVOBHSA-N 2 2 350.507 0.824 10 0 FCAELP CC(C)C[C@]1(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCNC1=O ZINC000631258862 492807697 /nfs/dbraw/zinc/80/76/97/492807697.db2.gz CVYWHKSSZKFIJL-HNAYVOBHSA-N 2 2 350.507 0.824 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccnc(N4CCOCC4)n3)C2)CC1 ZINC000625519482 492808362 /nfs/dbraw/zinc/80/83/62/492808362.db2.gz OMNRVXZITKCZLI-OAHLLOKOSA-N 2 2 374.489 0.212 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccnc(N4CCOCC4)n3)C2)CC1 ZINC000625519482 492808364 /nfs/dbraw/zinc/80/83/64/492808364.db2.gz OMNRVXZITKCZLI-OAHLLOKOSA-N 2 2 374.489 0.212 10 0 FCAELP C[N@@H+]1CCO[C@@H](CS(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000631641542 492828534 /nfs/dbraw/zinc/82/85/34/492828534.db2.gz UWHRQSIZXXDTLO-GOSISDBHSA-N 2 2 367.515 0.901 10 0 FCAELP C[N@H+]1CCO[C@@H](CS(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000631641542 492828535 /nfs/dbraw/zinc/82/85/35/492828535.db2.gz UWHRQSIZXXDTLO-GOSISDBHSA-N 2 2 367.515 0.901 10 0 FCAELP C[N@@H+]1CCO[C@H](CS(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000631655957 492830370 /nfs/dbraw/zinc/83/03/70/492830370.db2.gz BITHETODAWZGCJ-LSDHHAIUSA-N 2 2 357.476 0.667 10 0 FCAELP C[N@H+]1CCO[C@H](CS(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000631655957 492830374 /nfs/dbraw/zinc/83/03/74/492830374.db2.gz BITHETODAWZGCJ-LSDHHAIUSA-N 2 2 357.476 0.667 10 0 FCAELP C[N@@H+]1CCO[C@@H](CS(=O)(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000631658048 492830391 /nfs/dbraw/zinc/83/03/91/492830391.db2.gz BXFFOUATHYLPNZ-DLBZAZTESA-N 2 2 353.488 0.511 10 0 FCAELP C[N@H+]1CCO[C@@H](CS(=O)(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000631658048 492830393 /nfs/dbraw/zinc/83/03/93/492830393.db2.gz BXFFOUATHYLPNZ-DLBZAZTESA-N 2 2 353.488 0.511 10 0 FCAELP C[NH+]1CCO[C@@H](CS(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000631658048 492830395 /nfs/dbraw/zinc/83/03/95/492830395.db2.gz BXFFOUATHYLPNZ-DLBZAZTESA-N 2 2 353.488 0.511 10 0 FCAELP C[NH+]1CCO[C@@H](CS(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000631658048 492830398 /nfs/dbraw/zinc/83/03/98/492830398.db2.gz BXFFOUATHYLPNZ-DLBZAZTESA-N 2 2 353.488 0.511 10 0 FCAELP C[NH+](C)[C@H](CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)c1cccc(F)c1 ZINC000631664709 492832148 /nfs/dbraw/zinc/83/21/48/492832148.db2.gz UGOUWDWSSQLYNT-HZPDHXFCSA-N 2 2 359.467 0.678 10 0 FCAELP C[NH+](C)[C@H](CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)c1cccc(F)c1 ZINC000631664709 492832151 /nfs/dbraw/zinc/83/21/51/492832151.db2.gz UGOUWDWSSQLYNT-HZPDHXFCSA-N 2 2 359.467 0.678 10 0 FCAELP C[NH+](C)[C@@H](CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)c1ccc(F)cc1 ZINC000631776685 492851409 /nfs/dbraw/zinc/85/14/09/492851409.db2.gz VKNFQUZIDUNENY-HOTGVXAUSA-N 2 2 359.467 0.678 10 0 FCAELP C[NH+](C)[C@@H](CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)c1ccc(F)cc1 ZINC000631776685 492851410 /nfs/dbraw/zinc/85/14/10/492851410.db2.gz VKNFQUZIDUNENY-HOTGVXAUSA-N 2 2 359.467 0.678 10 0 FCAELP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(S(=O)(=O)C[C@H]2C[NH+](C)CCO2)C1 ZINC000631784992 492852385 /nfs/dbraw/zinc/85/23/85/492852385.db2.gz JVGBTDYPFWDGTN-VVLHAWIVSA-N 2 2 359.536 0.984 10 0 FCAELP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(S(=O)(=O)C[C@H]2C[NH+](C)CCO2)C1 ZINC000631784992 492852387 /nfs/dbraw/zinc/85/23/87/492852387.db2.gz JVGBTDYPFWDGTN-VVLHAWIVSA-N 2 2 359.536 0.984 10 0 FCAELP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)C1 ZINC000631784992 492852389 /nfs/dbraw/zinc/85/23/89/492852389.db2.gz JVGBTDYPFWDGTN-VVLHAWIVSA-N 2 2 359.536 0.984 10 0 FCAELP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)C1 ZINC000631784992 492852392 /nfs/dbraw/zinc/85/23/92/492852392.db2.gz JVGBTDYPFWDGTN-VVLHAWIVSA-N 2 2 359.536 0.984 10 0 FCAELP C[NH+]1CCN(c2ncc(C[NH+]3CCC(Cn4cnnc4)CC3)cn2)CC1 ZINC000651955408 492853631 /nfs/dbraw/zinc/85/36/31/492853631.db2.gz KFRLRZKSJZJDGI-UHFFFAOYSA-N 2 2 356.478 0.732 10 0 FCAELP C[NH+](C)CCOc1ccccc1CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631836222 492860307 /nfs/dbraw/zinc/86/03/07/492860307.db2.gz QOJOYOTXOBEQSR-INIZCTEOSA-N 2 2 371.503 0.377 10 0 FCAELP C[NH+](C)CCOc1ccccc1CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631836222 492860310 /nfs/dbraw/zinc/86/03/10/492860310.db2.gz QOJOYOTXOBEQSR-INIZCTEOSA-N 2 2 371.503 0.377 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc2c(c1)CCO2 ZINC000658334801 492860811 /nfs/dbraw/zinc/86/08/11/492860811.db2.gz DWKDMMJPFOIXMD-AWEZNQCLSA-N 2 2 362.474 0.948 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc2c(c1)CCO2 ZINC000658334801 492860816 /nfs/dbraw/zinc/86/08/16/492860816.db2.gz DWKDMMJPFOIXMD-AWEZNQCLSA-N 2 2 362.474 0.948 10 0 FCAELP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631844302 492861817 /nfs/dbraw/zinc/86/18/17/492861817.db2.gz WJFSYUHPRQSEAI-HZSPNIEDSA-N 2 2 368.503 0.791 10 0 FCAELP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631844302 492861820 /nfs/dbraw/zinc/86/18/20/492861820.db2.gz WJFSYUHPRQSEAI-HZSPNIEDSA-N 2 2 368.503 0.791 10 0 FCAELP Nc1nc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c2c([nH+]1)CCCC2 ZINC000645115537 492869547 /nfs/dbraw/zinc/86/95/47/492869547.db2.gz REPHRPXVTGPXFB-UHFFFAOYSA-N 2 2 358.490 1.072 10 0 FCAELP Nc1nc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c2c([nH+]1)CCCC2 ZINC000645115537 492869548 /nfs/dbraw/zinc/86/95/48/492869548.db2.gz REPHRPXVTGPXFB-UHFFFAOYSA-N 2 2 358.490 1.072 10 0 FCAELP Cc1nocc1C[NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000645177277 492875401 /nfs/dbraw/zinc/87/54/01/492875401.db2.gz IMUVFVQXFMHIHD-HNNXBMFYSA-N 2 2 372.473 0.919 10 0 FCAELP CCc1ccc(C[NH+]2CCN(S(=O)(=O)C[C@H]3C[NH2+]CCO3)CC2)s1 ZINC000631920981 492884805 /nfs/dbraw/zinc/88/48/05/492884805.db2.gz KFTMHSNZBOFNSX-CQSZACIVSA-N 2 2 373.544 0.746 10 0 FCAELP CC(=O)c1cc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1F ZINC000658427232 492885381 /nfs/dbraw/zinc/88/53/81/492885381.db2.gz ABDZSOJTSWHSCF-UHFFFAOYSA-N 2 2 366.437 0.967 10 0 FCAELP CC(=O)c1cc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1F ZINC000658427232 492885383 /nfs/dbraw/zinc/88/53/83/492885383.db2.gz ABDZSOJTSWHSCF-UHFFFAOYSA-N 2 2 366.437 0.967 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1-n1cncn1 ZINC000658427643 492885433 /nfs/dbraw/zinc/88/54/33/492885433.db2.gz OVRSBDPYNMZDHV-UHFFFAOYSA-N 2 2 373.461 0.206 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1-n1cncn1 ZINC000658427643 492885435 /nfs/dbraw/zinc/88/54/35/492885435.db2.gz OVRSBDPYNMZDHV-UHFFFAOYSA-N 2 2 373.461 0.206 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1nc2c(s1)CCCC2 ZINC000658429123 492886975 /nfs/dbraw/zinc/88/69/75/492886975.db2.gz SBTUQTZNOYRLMR-UHFFFAOYSA-N 2 2 367.519 0.960 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1nc2c(s1)CCCC2 ZINC000658429123 492886980 /nfs/dbraw/zinc/88/69/80/492886980.db2.gz SBTUQTZNOYRLMR-UHFFFAOYSA-N 2 2 367.519 0.960 10 0 FCAELP CN(Cc1[nH+]ccn1Cc1ccccc1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631924432 492887173 /nfs/dbraw/zinc/88/71/73/492887173.db2.gz VBJRRNXRIYNGHI-MRXNPFEDSA-N 2 2 364.471 0.681 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000658429831 492887468 /nfs/dbraw/zinc/88/74/68/492887468.db2.gz XYJPSFYDGPCTFJ-UHFFFAOYSA-N 2 2 364.446 0.396 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000658429831 492887470 /nfs/dbraw/zinc/88/74/70/492887470.db2.gz XYJPSFYDGPCTFJ-UHFFFAOYSA-N 2 2 364.446 0.396 10 0 FCAELP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000658431405 492887543 /nfs/dbraw/zinc/88/75/43/492887543.db2.gz AIGDSBJPNMHYBZ-CVEARBPZSA-N 2 2 366.506 0.299 10 0 FCAELP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000658431405 492887545 /nfs/dbraw/zinc/88/75/45/492887545.db2.gz AIGDSBJPNMHYBZ-CVEARBPZSA-N 2 2 366.506 0.299 10 0 FCAELP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000631935962 492891510 /nfs/dbraw/zinc/89/15/10/492891510.db2.gz POSKKCLVKUGEQE-DOMZBBRYSA-N 2 2 359.879 0.605 10 0 FCAELP C[NH+](C)C1CC[NH+](CCNC(=O)NCC(C)(C)[C@]2(O)CCOC2)CC1 ZINC000645393287 492902328 /nfs/dbraw/zinc/90/23/28/492902328.db2.gz LNVUTMPDITVRQZ-SFHVURJKSA-N 2 2 356.511 0.489 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000658458881 492902999 /nfs/dbraw/zinc/90/29/99/492902999.db2.gz BUXFADWHZZFPAR-OAHLLOKOSA-N 2 2 354.495 0.156 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000658458881 492903003 /nfs/dbraw/zinc/90/30/03/492903003.db2.gz BUXFADWHZZFPAR-OAHLLOKOSA-N 2 2 354.495 0.156 10 0 FCAELP C[C@H]1CCC[C@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)O1 ZINC000658494928 492912981 /nfs/dbraw/zinc/91/29/81/492912981.db2.gz IPMUWMSUPLXWJR-DOTOQJQBSA-N 2 2 368.522 0.545 10 0 FCAELP C[C@H]1CCC[C@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)O1 ZINC000658494928 492912982 /nfs/dbraw/zinc/91/29/82/492912982.db2.gz IPMUWMSUPLXWJR-DOTOQJQBSA-N 2 2 368.522 0.545 10 0 FCAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)CC2 ZINC000626010598 492914622 /nfs/dbraw/zinc/91/46/22/492914622.db2.gz YAJOSQDMPVZXDR-GJZGRUSLSA-N 2 2 368.503 0.331 10 0 FCAELP CCO[C@@H]1C[N@H+](CC(=O)N(CCC(N)=O)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000652357493 492916459 /nfs/dbraw/zinc/91/64/59/492916459.db2.gz SOZQYBSSSAEVAX-IAGOWNOFSA-N 2 2 362.474 0.186 10 0 FCAELP CCO[C@@H]1C[N@@H+](CC(=O)N(CCC(N)=O)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000652357493 492916463 /nfs/dbraw/zinc/91/64/63/492916463.db2.gz SOZQYBSSSAEVAX-IAGOWNOFSA-N 2 2 362.474 0.186 10 0 FCAELP CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)C1 ZINC000632060469 492921777 /nfs/dbraw/zinc/92/17/77/492921777.db2.gz NGRSWQLAKMEQCB-JKSUJKDBSA-N 2 2 363.524 0.080 10 0 FCAELP CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)C1 ZINC000632060469 492921779 /nfs/dbraw/zinc/92/17/79/492921779.db2.gz NGRSWQLAKMEQCB-JKSUJKDBSA-N 2 2 363.524 0.080 10 0 FCAELP C[N@H+](CCNS(=O)(=O)C[C@@H]1C[NH+](C)CCO1)Cc1ccc(F)cc1 ZINC000632068874 492922605 /nfs/dbraw/zinc/92/26/05/492922605.db2.gz RHNXFAJENJWLJW-INIZCTEOSA-N 2 2 359.467 0.508 10 0 FCAELP C[N@@H+](CCNS(=O)(=O)C[C@@H]1C[NH+](C)CCO1)Cc1ccc(F)cc1 ZINC000632068874 492922606 /nfs/dbraw/zinc/92/26/06/492922606.db2.gz RHNXFAJENJWLJW-INIZCTEOSA-N 2 2 359.467 0.508 10 0 FCAELP C[NH+](CCNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)Cc1ccc(F)cc1 ZINC000632068874 492922609 /nfs/dbraw/zinc/92/26/09/492922609.db2.gz RHNXFAJENJWLJW-INIZCTEOSA-N 2 2 359.467 0.508 10 0 FCAELP C[NH+](CCNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)Cc1ccc(F)cc1 ZINC000632068874 492922611 /nfs/dbraw/zinc/92/26/11/492922611.db2.gz RHNXFAJENJWLJW-INIZCTEOSA-N 2 2 359.467 0.508 10 0 FCAELP CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000626169686 492942293 /nfs/dbraw/zinc/94/22/93/492942293.db2.gz QELVCYVKDBHBRC-ZWKOTPCHSA-N 2 2 369.531 0.741 10 0 FCAELP CNS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000626169686 492942297 /nfs/dbraw/zinc/94/22/97/492942297.db2.gz QELVCYVKDBHBRC-ZWKOTPCHSA-N 2 2 369.531 0.741 10 0 FCAELP CNS(=O)(=O)C[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000626169686 492942303 /nfs/dbraw/zinc/94/23/03/492942303.db2.gz QELVCYVKDBHBRC-ZWKOTPCHSA-N 2 2 369.531 0.741 10 0 FCAELP CNS(=O)(=O)C[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000626169686 492942307 /nfs/dbraw/zinc/94/23/07/492942307.db2.gz QELVCYVKDBHBRC-ZWKOTPCHSA-N 2 2 369.531 0.741 10 0 FCAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)CC2 ZINC000626285169 492958297 /nfs/dbraw/zinc/95/82/97/492958297.db2.gz WPALNJPQILCEQR-HOTGVXAUSA-N 2 2 363.506 0.963 10 0 FCAELP CCN1C(=O)CO[C@H](C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)[C@H]1c1[nH+]ccn1C ZINC000626332313 492964056 /nfs/dbraw/zinc/96/40/56/492964056.db2.gz NKAAJSHHMQHFGN-VDERGJSUSA-N 2 2 363.462 0.260 10 0 FCAELP CCN1C(=O)CO[C@H](C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)[C@H]1c1[nH+]ccn1C ZINC000626332313 492964060 /nfs/dbraw/zinc/96/40/60/492964060.db2.gz NKAAJSHHMQHFGN-VDERGJSUSA-N 2 2 363.462 0.260 10 0 FCAELP CN(C(=O)NCCCc1ncn(C)n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645770583 492973320 /nfs/dbraw/zinc/97/33/20/492973320.db2.gz SIHRIFQEDAUEHD-INIZCTEOSA-N 2 2 363.510 0.558 10 0 FCAELP CN(C(=O)NCCCc1ncn(C)n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645770583 492973324 /nfs/dbraw/zinc/97/33/24/492973324.db2.gz SIHRIFQEDAUEHD-INIZCTEOSA-N 2 2 363.510 0.558 10 0 FCAELP Cc1cc(NC(=O)NC[C@@H]2COCC[N@@H+]2C)n(C2CC[NH+](C)CC2)n1 ZINC000626426814 492976046 /nfs/dbraw/zinc/97/60/46/492976046.db2.gz MJAAEGRFVCEJSR-OAHLLOKOSA-N 2 2 350.467 0.910 10 0 FCAELP Cc1cc(NC(=O)NC[C@@H]2COCC[N@H+]2C)n(C2CC[NH+](C)CC2)n1 ZINC000626426814 492976051 /nfs/dbraw/zinc/97/60/51/492976051.db2.gz MJAAEGRFVCEJSR-OAHLLOKOSA-N 2 2 350.467 0.910 10 0 FCAELP C[NH+](C)C[C@H](NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)c1ccc(F)cc1 ZINC000632337913 492976774 /nfs/dbraw/zinc/97/67/74/492976774.db2.gz ZUPAWRXMDAHRGV-CVEARBPZSA-N 2 2 359.467 0.678 10 0 FCAELP C[NH+](C)C[C@H](NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)c1ccc(F)cc1 ZINC000632337913 492976778 /nfs/dbraw/zinc/97/67/78/492976778.db2.gz ZUPAWRXMDAHRGV-CVEARBPZSA-N 2 2 359.467 0.678 10 0 FCAELP [NH3+]CC1(CCNC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000652673546 492985114 /nfs/dbraw/zinc/98/51/14/492985114.db2.gz TXDOHSYPAGUIKP-UHFFFAOYSA-N 2 2 359.405 0.873 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1=O ZINC000632394982 492989807 /nfs/dbraw/zinc/98/98/07/492989807.db2.gz DVWXPLGNLAEIRN-HNNXBMFYSA-N 2 2 373.461 0.099 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658677498 493005252 /nfs/dbraw/zinc/00/52/52/493005252.db2.gz QKJOHGOURNJDRJ-HUUCEWRRSA-N 2 2 354.495 0.155 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000658677498 493005257 /nfs/dbraw/zinc/00/52/57/493005257.db2.gz QKJOHGOURNJDRJ-HUUCEWRRSA-N 2 2 354.495 0.155 10 0 FCAELP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000632487148 493007621 /nfs/dbraw/zinc/00/76/21/493007621.db2.gz ZVXOPUOBTAZFLK-UHFFFAOYSA-N 2 2 366.506 0.254 10 0 FCAELP CC[C@H](C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000652733957 493011122 /nfs/dbraw/zinc/01/11/22/493011122.db2.gz VHEIPNRBANVXME-HZPDHXFCSA-N 2 2 354.495 0.108 10 0 FCAELP CC[C@H](C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000652733957 493011127 /nfs/dbraw/zinc/01/11/27/493011127.db2.gz VHEIPNRBANVXME-HZPDHXFCSA-N 2 2 354.495 0.108 10 0 FCAELP CC1(C)[C@H](NS(=O)(=O)CCC[NH+]2CCCC2)C[C@H]1[NH+]1CCOCC1 ZINC000632503188 493015281 /nfs/dbraw/zinc/01/52/81/493015281.db2.gz XDINIMVXCDLTBJ-HZPDHXFCSA-N 2 2 359.536 0.891 10 0 FCAELP Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000646120179 493017208 /nfs/dbraw/zinc/01/72/08/493017208.db2.gz VEKYTVNMSMJQCX-KRWDZBQOSA-N 2 2 360.506 0.138 10 0 FCAELP Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000646120179 493017212 /nfs/dbraw/zinc/01/72/12/493017212.db2.gz VEKYTVNMSMJQCX-KRWDZBQOSA-N 2 2 360.506 0.138 10 0 FCAELP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652888060 493034490 /nfs/dbraw/zinc/03/44/90/493034490.db2.gz XNLIODVRYDKHCG-LJQANCHMSA-N 2 2 358.486 0.082 10 0 FCAELP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652888060 493034497 /nfs/dbraw/zinc/03/44/97/493034497.db2.gz XNLIODVRYDKHCG-LJQANCHMSA-N 2 2 358.486 0.082 10 0 FCAELP CCN(C(=O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000658804888 493062072 /nfs/dbraw/zinc/06/20/72/493062072.db2.gz XVNQDNUWHYGYKN-INIZCTEOSA-N 2 2 359.474 0.591 10 0 FCAELP CCN(C(=O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000658804888 493062076 /nfs/dbraw/zinc/06/20/76/493062076.db2.gz XVNQDNUWHYGYKN-INIZCTEOSA-N 2 2 359.474 0.591 10 0 FCAELP C[NH2+]CCOCCN(C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000626920484 493062763 /nfs/dbraw/zinc/06/27/63/493062763.db2.gz BUROHNMMHQWUKL-GOSISDBHSA-N 2 2 364.490 0.765 10 0 FCAELP C[NH2+]CCOCCN(C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000626920484 493062767 /nfs/dbraw/zinc/06/27/67/493062767.db2.gz BUROHNMMHQWUKL-GOSISDBHSA-N 2 2 364.490 0.765 10 0 FCAELP [NH3+]CCCOCCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000626921230 493063504 /nfs/dbraw/zinc/06/35/04/493063504.db2.gz VANZQDIKMBVWLR-KRWDZBQOSA-N 2 2 350.463 0.552 10 0 FCAELP [NH3+]CCCOCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000626921230 493063508 /nfs/dbraw/zinc/06/35/08/493063508.db2.gz VANZQDIKMBVWLR-KRWDZBQOSA-N 2 2 350.463 0.552 10 0 FCAELP C[NH2+]CCOCCN(C)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000626928286 493065090 /nfs/dbraw/zinc/06/50/90/493065090.db2.gz QYLPINVEHXPLFH-UHFFFAOYSA-N 2 2 351.451 0.296 10 0 FCAELP C[NH2+]CCOCCNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000626926256 493065143 /nfs/dbraw/zinc/06/51/43/493065143.db2.gz ZMPCHXHEMHSQIS-GOSISDBHSA-N 2 2 364.490 0.904 10 0 FCAELP C[C@H]1CC[C@H](NC(=O)NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)C[NH2+]1 ZINC000626971066 493071917 /nfs/dbraw/zinc/07/19/17/493071917.db2.gz XYALPBLFPSAOKE-BBRMVZONSA-N 2 2 374.489 0.723 10 0 FCAELP NC(=O)C1CCN(c2[nH+]cccc2CNC(=O)CC(F)(F)C[NH3+])CC1 ZINC000653116408 493072445 /nfs/dbraw/zinc/07/24/45/493072445.db2.gz FZBSBVJNTBWAMY-UHFFFAOYSA-N 2 2 355.389 0.384 10 0 FCAELP O=C(CCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000653114882 493072905 /nfs/dbraw/zinc/07/29/05/493072905.db2.gz ZTLYIFVYPKEJJM-IAGOWNOFSA-N 2 2 371.485 0.767 10 0 FCAELP COc1cc(OC)cc(N2CC[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C2)c1 ZINC000653123704 493074561 /nfs/dbraw/zinc/07/45/61/493074561.db2.gz DRWKNFCKKBFPOM-KDOFPFPSSA-N 2 2 364.490 0.925 10 0 FCAELP COc1cc(OC)cc(N2CC[C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)C2)c1 ZINC000653123703 493075250 /nfs/dbraw/zinc/07/52/50/493075250.db2.gz DRWKNFCKKBFPOM-KBXCAEBGSA-N 2 2 364.490 0.925 10 0 FCAELP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)NC[C@H]1COCC[NH2+]1 ZINC000627018089 493080900 /nfs/dbraw/zinc/08/09/00/493080900.db2.gz RJJHBQJJYUKMSS-AWEZNQCLSA-N 2 2 352.866 0.986 10 0 FCAELP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)NC[C@H]1COCC[NH2+]1 ZINC000627018089 493080905 /nfs/dbraw/zinc/08/09/05/493080905.db2.gz RJJHBQJJYUKMSS-AWEZNQCLSA-N 2 2 352.866 0.986 10 0 FCAELP C[C@]1(CNC(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)CCC[NH2+]C1 ZINC000627085826 493086516 /nfs/dbraw/zinc/08/65/16/493086516.db2.gz XDFQUNFLJBULAH-HKUYNNGSSA-N 2 2 361.490 0.971 10 0 FCAELP C[C@]1(CNC(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)CCC[NH2+]C1 ZINC000627085826 493086521 /nfs/dbraw/zinc/08/65/21/493086521.db2.gz XDFQUNFLJBULAH-HKUYNNGSSA-N 2 2 361.490 0.971 10 0 FCAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@@H]2COCC[N@@H+]2C)cc1 ZINC000627115331 493089720 /nfs/dbraw/zinc/08/97/20/493089720.db2.gz UKKNFHNKPNZTQT-NJAFHUGGSA-N 2 2 362.474 0.771 10 0 FCAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@@H]2COCC[N@H+]2C)cc1 ZINC000627115331 493089723 /nfs/dbraw/zinc/08/97/23/493089723.db2.gz UKKNFHNKPNZTQT-NJAFHUGGSA-N 2 2 362.474 0.771 10 0 FCAELP [NH3+]C1(CNC(=O)N2CCC[N@H+](Cc3cscn3)CC2)CCOCC1 ZINC000627153933 493097372 /nfs/dbraw/zinc/09/73/72/493097372.db2.gz PXSSWULJXKPPRX-UHFFFAOYSA-N 2 2 353.492 0.868 10 0 FCAELP [NH3+]C1(CNC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)CCOCC1 ZINC000627153933 493097374 /nfs/dbraw/zinc/09/73/74/493097374.db2.gz PXSSWULJXKPPRX-UHFFFAOYSA-N 2 2 353.492 0.868 10 0 FCAELP C[C@@H]1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)C[C@H]1C[NH3+] ZINC000627225403 493110552 /nfs/dbraw/zinc/11/05/52/493110552.db2.gz XCZZHJQHVHITFE-NXHRZFHOSA-N 2 2 361.490 0.909 10 0 FCAELP C[C@@H]1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)C[C@H]1C[NH3+] ZINC000627225403 493110554 /nfs/dbraw/zinc/11/05/54/493110554.db2.gz XCZZHJQHVHITFE-NXHRZFHOSA-N 2 2 361.490 0.909 10 0 FCAELP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000633118020 493133160 /nfs/dbraw/zinc/13/31/60/493133160.db2.gz HMVQYDBXERUCSG-RBSFLKMASA-N 2 2 359.474 0.874 10 0 FCAELP CCn1cc[nH+]c1CNC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659073142 493140181 /nfs/dbraw/zinc/14/01/81/493140181.db2.gz BKGRTFUWOPKMOP-OAHLLOKOSA-N 2 2 357.414 0.819 10 0 FCAELP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000627297793 493140651 /nfs/dbraw/zinc/14/06/51/493140651.db2.gz TZFOEXFDVYTNNG-GJZGRUSLSA-N 2 2 354.401 0.633 10 0 FCAELP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000627297793 493140653 /nfs/dbraw/zinc/14/06/53/493140653.db2.gz TZFOEXFDVYTNNG-GJZGRUSLSA-N 2 2 354.401 0.633 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000627297769 493140760 /nfs/dbraw/zinc/14/07/60/493140760.db2.gz SFPGQJRLARRJKU-DFBGVHRSSA-N 2 2 352.385 0.304 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000627297769 493140764 /nfs/dbraw/zinc/14/07/64/493140764.db2.gz SFPGQJRLARRJKU-DFBGVHRSSA-N 2 2 352.385 0.304 10 0 FCAELP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC4CC3(C[NH3+])C4)c2)CC1 ZINC000659099641 493152744 /nfs/dbraw/zinc/15/27/44/493152744.db2.gz KCGOZJIJFWJCNH-UHFFFAOYSA-N 2 2 371.485 0.322 10 0 FCAELP C[NH2+]CCOCCN(C)C(=O)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000627325128 493153971 /nfs/dbraw/zinc/15/39/71/493153971.db2.gz YVEFGSLOQBBUQY-UHFFFAOYSA-N 2 2 367.837 0.298 10 0 FCAELP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](CCC(C)(C)C3CC3)CC2)CC1 ZINC000653493237 493155759 /nfs/dbraw/zinc/15/57/59/493155759.db2.gz OTCZYIUGHONKEA-UHFFFAOYSA-N 2 2 358.552 0.923 10 0 FCAELP C[C@@H](c1cccc(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)c1)[NH+]1CCOCC1 ZINC000659106275 493155994 /nfs/dbraw/zinc/15/59/94/493155994.db2.gz LJGLYXNLAKXWLU-BQTBQCLESA-N 2 2 372.469 0.887 10 0 FCAELP O=C(NCc1ccc(N2CCCC2)[nH+]c1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627338373 493160759 /nfs/dbraw/zinc/16/07/59/493160759.db2.gz DCKLOXNIYSOAIE-HNNXBMFYSA-N 2 2 357.458 0.699 10 0 FCAELP C[C@@H]1CC[C@H](NC(=O)C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C[NH2+]1 ZINC000627344341 493164162 /nfs/dbraw/zinc/16/41/62/493164162.db2.gz CBWPRJZTJZBGRP-ZBFHGGJFSA-N 2 2 359.474 0.945 10 0 FCAELP CC(C)OC[C@H]([NH3+])C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000659284323 493183193 /nfs/dbraw/zinc/18/31/93/493183193.db2.gz GZZIVKXTFTXYBK-KRWDZBQOSA-N 2 2 362.474 0.694 10 0 FCAELP C[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc2n(n1)CCCC2 ZINC000647293525 493190756 /nfs/dbraw/zinc/19/07/56/493190756.db2.gz MRUIUCOGMPCFEQ-HOTGVXAUSA-N 2 2 361.490 0.803 10 0 FCAELP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000627381855 493190932 /nfs/dbraw/zinc/19/09/32/493190932.db2.gz CYXGICLSAWQHRX-FFZOFVMBSA-N 2 2 356.470 0.747 10 0 FCAELP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000627381855 493190937 /nfs/dbraw/zinc/19/09/37/493190937.db2.gz CYXGICLSAWQHRX-FFZOFVMBSA-N 2 2 356.470 0.747 10 0 FCAELP CCOC1CC(CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)([NH+]2CCOCC2)C1 ZINC000659486531 493191428 /nfs/dbraw/zinc/19/14/28/493191428.db2.gz FDQWBRJHKNIWTK-GYMHETDLSA-N 2 2 358.458 0.337 10 0 FCAELP Cc1cc(NCCNC(=O)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000627416805 493209269 /nfs/dbraw/zinc/20/92/69/493209269.db2.gz IDEFRYIVGYCKPV-GXTWGEPZSA-N 2 2 362.478 0.693 10 0 FCAELP Cc1cc(NCCNC(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)nc(C(C)C)[nH+]1 ZINC000627420240 493209933 /nfs/dbraw/zinc/20/99/33/493209933.db2.gz CECVERYTAHKGIX-ZIAGYGMSSA-N 2 2 362.478 0.680 10 0 FCAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000659588715 493217879 /nfs/dbraw/zinc/21/78/79/493217879.db2.gz TZSCAXPVMJEFTF-NJAFHUGGSA-N 3 2 361.490 0.425 10 0 FCAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000659588715 493217883 /nfs/dbraw/zinc/21/78/83/493217883.db2.gz TZSCAXPVMJEFTF-NJAFHUGGSA-N 3 2 361.490 0.425 10 0 FCAELP C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672642845 493228411 /nfs/dbraw/zinc/22/84/11/493228411.db2.gz WUNKJADKRZEZJD-CVEARBPZSA-N 2 2 350.507 0.920 10 0 FCAELP C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672642845 493228413 /nfs/dbraw/zinc/22/84/13/493228413.db2.gz WUNKJADKRZEZJD-CVEARBPZSA-N 2 2 350.507 0.920 10 0 FCAELP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)N1CC2CC1(C[NH3+])C2)c1ccccc1F ZINC000659683136 493249698 /nfs/dbraw/zinc/24/96/98/493249698.db2.gz OFMBOODSRHSLNB-IHBYNMNLSA-N 2 2 371.416 0.715 10 0 FCAELP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)N1CC2CC1(C[NH3+])C2)c1ccc(F)cc1 ZINC000659682759 493250399 /nfs/dbraw/zinc/25/03/99/493250399.db2.gz HYMJMFBAGLWIPJ-IHBYNMNLSA-N 2 2 371.416 0.715 10 0 FCAELP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659685566 493252779 /nfs/dbraw/zinc/25/27/79/493252779.db2.gz RIQKYYOJDYZNDC-UHFFFAOYSA-N 2 2 357.458 0.556 10 0 FCAELP [NH3+]Cc1cccc(NC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000667054945 493255145 /nfs/dbraw/zinc/25/51/45/493255145.db2.gz OXYYQZWONSSCSS-QGZVFWFLSA-N 2 2 360.458 0.797 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)N3CC[N@H+](CCO)C(C)(C)C3)ccc2[nH+]1 ZINC000682064980 493267617 /nfs/dbraw/zinc/26/76/17/493267617.db2.gz FFJWNSSLYKUSOM-UHFFFAOYSA-N 2 2 359.430 0.496 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)N3CC[N@@H+](CCO)C(C)(C)C3)ccc2[nH+]1 ZINC000682064980 493267618 /nfs/dbraw/zinc/26/76/18/493267618.db2.gz FFJWNSSLYKUSOM-UHFFFAOYSA-N 2 2 359.430 0.496 10 0 FCAELP O=C(c1cc(C(=O)N2CC[NH+](C3CC3)CC2)[nH]n1)N1CC[NH+](C2CC2)CC1 ZINC000667359593 493278058 /nfs/dbraw/zinc/27/80/58/493278058.db2.gz GPLSNODSWKBGSK-UHFFFAOYSA-N 2 2 372.473 0.250 10 0 FCAELP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659740684 493281091 /nfs/dbraw/zinc/28/10/91/493281091.db2.gz FDJSSGYJTMRKFY-DLBZAZTESA-N 3 2 367.538 0.103 10 0 FCAELP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659740684 493281093 /nfs/dbraw/zinc/28/10/93/493281093.db2.gz FDJSSGYJTMRKFY-DLBZAZTESA-N 3 2 367.538 0.103 10 0 FCAELP C[N@@H+]1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)[C@@H](Cc2ccccc2)C1 ZINC000659741641 493281520 /nfs/dbraw/zinc/28/15/20/493281520.db2.gz WHORWAAAYLLIDM-GNZRSQJKSA-N 2 2 356.470 0.240 10 0 FCAELP C[N@H+]1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)[C@@H](Cc2ccccc2)C1 ZINC000659741641 493281522 /nfs/dbraw/zinc/28/15/22/493281522.db2.gz WHORWAAAYLLIDM-GNZRSQJKSA-N 2 2 356.470 0.240 10 0 FCAELP CCCn1nccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682274676 493284367 /nfs/dbraw/zinc/28/43/67/493284367.db2.gz LPFKRFVPJQWXAY-AWEZNQCLSA-N 2 2 362.478 0.516 10 0 FCAELP CCCn1nccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682274676 493284369 /nfs/dbraw/zinc/28/43/69/493284369.db2.gz LPFKRFVPJQWXAY-AWEZNQCLSA-N 2 2 362.478 0.516 10 0 FCAELP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)CC2)CC1 ZINC000682497626 493304717 /nfs/dbraw/zinc/30/47/17/493304717.db2.gz IYTZUOCXMNQFFP-KRWDZBQOSA-N 2 2 373.501 0.848 10 0 FCAELP CNS(=O)(=O)NC1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000668094139 493317979 /nfs/dbraw/zinc/31/79/79/493317979.db2.gz BUTTVSCTASFMOQ-UHFFFAOYSA-N 2 2 350.448 0.286 10 0 FCAELP CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000673860281 493368430 /nfs/dbraw/zinc/36/84/30/493368430.db2.gz BYXPAOQMTOHMRO-UHFFFAOYSA-N 2 2 371.445 0.941 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000660652940 493369630 /nfs/dbraw/zinc/36/96/30/493369630.db2.gz MVWVGVFJOWWUTG-ICSRJNTNSA-N 3 2 366.550 0.877 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000660652940 493369633 /nfs/dbraw/zinc/36/96/33/493369633.db2.gz MVWVGVFJOWWUTG-ICSRJNTNSA-N 3 2 366.550 0.877 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000660652940 493369635 /nfs/dbraw/zinc/36/96/35/493369635.db2.gz MVWVGVFJOWWUTG-ICSRJNTNSA-N 3 2 366.550 0.877 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000660652940 493369637 /nfs/dbraw/zinc/36/96/37/493369637.db2.gz MVWVGVFJOWWUTG-ICSRJNTNSA-N 3 2 366.550 0.877 10 0 FCAELP Cn1ncc(Br)c1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000683770408 493370167 /nfs/dbraw/zinc/37/01/67/493370167.db2.gz ZJQWZRDRAKOWQO-CYBMUJFWSA-N 2 2 372.311 0.679 10 0 FCAELP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000668542550 493373801 /nfs/dbraw/zinc/37/38/01/493373801.db2.gz NSIAHDQAVDQYPM-MRXNPFEDSA-N 2 2 359.474 0.767 10 0 FCAELP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000668542550 493373805 /nfs/dbraw/zinc/37/38/05/493373805.db2.gz NSIAHDQAVDQYPM-MRXNPFEDSA-N 2 2 359.474 0.767 10 0 FCAELP COC[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000660714051 493375756 /nfs/dbraw/zinc/37/57/56/493375756.db2.gz XEPQGCHJLYXTLX-SJLPKXTDSA-N 2 2 368.522 0.896 10 0 FCAELP COC[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000660714051 493375758 /nfs/dbraw/zinc/37/57/58/493375758.db2.gz XEPQGCHJLYXTLX-SJLPKXTDSA-N 2 2 368.522 0.896 10 0 FCAELP CCN(C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@H]1CC[N@H+](CC)C1 ZINC000668552016 493375754 /nfs/dbraw/zinc/37/57/54/493375754.db2.gz BURHOKCVGKFRRV-INIZCTEOSA-N 2 2 361.490 0.821 10 0 FCAELP CCN(C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@H]1CC[N@@H+](CC)C1 ZINC000668552016 493375757 /nfs/dbraw/zinc/37/57/57/493375757.db2.gz BURHOKCVGKFRRV-INIZCTEOSA-N 2 2 361.490 0.821 10 0 FCAELP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCCCCn2cc[nH+]c2)CCO1 ZINC000668612707 493383968 /nfs/dbraw/zinc/38/39/68/493383968.db2.gz XXNMOWXZUXLMLU-MRXNPFEDSA-N 2 2 365.478 0.349 10 0 FCAELP O=C(C[N@@H+]1CC[C@@H](Cn2ccnn2)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000661145360 493412123 /nfs/dbraw/zinc/41/21/23/493412123.db2.gz KZYGGJWBNIZPTK-MRXNPFEDSA-N 2 2 358.446 0.537 10 0 FCAELP O=C(C[N@H+]1CC[C@@H](Cn2ccnn2)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000661145360 493412125 /nfs/dbraw/zinc/41/21/25/493412125.db2.gz KZYGGJWBNIZPTK-MRXNPFEDSA-N 2 2 358.446 0.537 10 0 FCAELP COC[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CCOCC1 ZINC000661159338 493414068 /nfs/dbraw/zinc/41/40/68/493414068.db2.gz TTYRJYKOLOJEJG-INIZCTEOSA-N 2 2 357.495 0.245 10 0 FCAELP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000668828495 493417135 /nfs/dbraw/zinc/41/71/35/493417135.db2.gz CXJSBRDMHPCMKD-KKUMJFAQSA-N 2 2 354.495 0.201 10 0 FCAELP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000668828495 493417137 /nfs/dbraw/zinc/41/71/37/493417137.db2.gz CXJSBRDMHPCMKD-KKUMJFAQSA-N 2 2 354.495 0.201 10 0 FCAELP CCN(C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@H]1CC[N@H+](C)C1 ZINC000668891941 493429793 /nfs/dbraw/zinc/42/97/93/493429793.db2.gz VPAQPROPSZRRBX-BBWFWOEESA-N 2 2 366.506 0.299 10 0 FCAELP CCN(C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@H]1CC[N@@H+](C)C1 ZINC000668891941 493429796 /nfs/dbraw/zinc/42/97/96/493429796.db2.gz VPAQPROPSZRRBX-BBWFWOEESA-N 2 2 366.506 0.299 10 0 FCAELP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000661395364 493433214 /nfs/dbraw/zinc/43/32/14/493433214.db2.gz FFOPAIBBXNVZKY-MRXNPFEDSA-N 2 2 365.522 0.809 10 0 FCAELP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000661395364 493433216 /nfs/dbraw/zinc/43/32/16/493433216.db2.gz FFOPAIBBXNVZKY-MRXNPFEDSA-N 2 2 365.522 0.809 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H](CCF)C3)C2)CC1 ZINC000668910577 493436161 /nfs/dbraw/zinc/43/61/61/493436161.db2.gz KCJFLXCLRQAIQK-HZPDHXFCSA-N 2 2 368.497 0.869 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H](CCF)C3)C2)CC1 ZINC000668910577 493436163 /nfs/dbraw/zinc/43/61/63/493436163.db2.gz KCJFLXCLRQAIQK-HZPDHXFCSA-N 2 2 368.497 0.869 10 0 FCAELP COCC(COC)[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000661410119 493436244 /nfs/dbraw/zinc/43/62/44/493436244.db2.gz QURULIVLKUMZLJ-HNNXBMFYSA-N 2 2 356.511 0.848 10 0 FCAELP COCC(COC)[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000661410119 493436245 /nfs/dbraw/zinc/43/62/45/493436245.db2.gz QURULIVLKUMZLJ-HNNXBMFYSA-N 2 2 356.511 0.848 10 0 FCAELP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[NH2+]C[C@](C)(F)C3)cn2)CC1 ZINC000668989014 493446942 /nfs/dbraw/zinc/44/69/42/493446942.db2.gz MTYKJNJRERBFPO-SFHVURJKSA-N 2 2 364.469 0.676 10 0 FCAELP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CCO1 ZINC000669020333 493452120 /nfs/dbraw/zinc/45/21/20/493452120.db2.gz XRMCQCJQWMHDDA-MRXNPFEDSA-N 2 2 373.457 0.520 10 0 FCAELP O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000669019472 493452388 /nfs/dbraw/zinc/45/23/88/493452388.db2.gz DQWXXSUIISOPLI-MRXNPFEDSA-N 2 2 371.441 0.008 10 0 FCAELP O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000669019472 493452391 /nfs/dbraw/zinc/45/23/91/493452391.db2.gz DQWXXSUIISOPLI-MRXNPFEDSA-N 2 2 371.441 0.008 10 0 FCAELP CCn1cc(CNC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nn1 ZINC000661721564 493462232 /nfs/dbraw/zinc/46/22/32/493462232.db2.gz UDOIQWVLUCVZRG-SJPCQFCGSA-N 2 2 361.494 0.750 10 0 FCAELP CCn1cc(CNC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)nn1 ZINC000661721564 493462235 /nfs/dbraw/zinc/46/22/35/493462235.db2.gz UDOIQWVLUCVZRG-SJPCQFCGSA-N 2 2 361.494 0.750 10 0 FCAELP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CCC[NH+](C)C1)CCC(F)(F)F ZINC000685176439 493462741 /nfs/dbraw/zinc/46/27/41/493462741.db2.gz JIUZXXQMKNNPOF-GFCCVEGCSA-N 2 2 352.401 0.587 10 0 FCAELP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCC[NH+](C)C1)CCC(F)(F)F ZINC000685176439 493462743 /nfs/dbraw/zinc/46/27/43/493462743.db2.gz JIUZXXQMKNNPOF-GFCCVEGCSA-N 2 2 352.401 0.587 10 0 FCAELP CC[NH+](CCNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1)CCC(F)(F)F ZINC000685176439 493462745 /nfs/dbraw/zinc/46/27/45/493462745.db2.gz JIUZXXQMKNNPOF-GFCCVEGCSA-N 2 2 352.401 0.587 10 0 FCAELP CC[NH+](CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1)CCC(F)(F)F ZINC000685176439 493462748 /nfs/dbraw/zinc/46/27/48/493462748.db2.gz JIUZXXQMKNNPOF-GFCCVEGCSA-N 2 2 352.401 0.587 10 0 FCAELP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000669198365 493475707 /nfs/dbraw/zinc/47/57/07/493475707.db2.gz OEIRMMMXFMSSAG-GJZGRUSLSA-N 2 2 359.474 0.766 10 0 FCAELP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000669198365 493475709 /nfs/dbraw/zinc/47/57/09/493475709.db2.gz OEIRMMMXFMSSAG-GJZGRUSLSA-N 2 2 359.474 0.766 10 0 FCAELP O=C(C[N@@H+]1CCC2(COC2)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000662075568 493487335 /nfs/dbraw/zinc/48/73/35/493487335.db2.gz DHSKLRRHCOHGLV-UHFFFAOYSA-N 2 2 351.491 0.860 10 0 FCAELP O=C(C[N@H+]1CCC2(COC2)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000662075568 493487337 /nfs/dbraw/zinc/48/73/37/493487337.db2.gz DHSKLRRHCOHGLV-UHFFFAOYSA-N 2 2 351.491 0.860 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1)CC2 ZINC000685487462 493496765 /nfs/dbraw/zinc/49/67/65/493496765.db2.gz GCFLLPGEXWTBLL-UHFFFAOYSA-N 2 2 369.469 0.954 10 0 FCAELP NS(=O)(=O)c1cc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)co1 ZINC000662264241 493501548 /nfs/dbraw/zinc/50/15/48/493501548.db2.gz GYCWPEVWLZMRFH-JSGCOSHPSA-N 2 2 370.475 0.007 10 0 FCAELP NS(=O)(=O)c1cc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)co1 ZINC000662264241 493501552 /nfs/dbraw/zinc/50/15/52/493501552.db2.gz GYCWPEVWLZMRFH-JSGCOSHPSA-N 2 2 370.475 0.007 10 0 FCAELP C[NH+](C)CCC[C@@H]1C[N@H+](CC(=O)NCCCN2CCCC2=O)CCO1 ZINC000662318873 493506049 /nfs/dbraw/zinc/50/60/49/493506049.db2.gz IEDDMHOTCNFIIQ-MRXNPFEDSA-N 2 2 354.495 0.158 10 0 FCAELP C[NH+](C)CCC[C@@H]1C[N@@H+](CC(=O)NCCCN2CCCC2=O)CCO1 ZINC000662318873 493506051 /nfs/dbraw/zinc/50/60/51/493506051.db2.gz IEDDMHOTCNFIIQ-MRXNPFEDSA-N 2 2 354.495 0.158 10 0 FCAELP C[N@@H+]1CCN(C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)[C@@H](C[NH3+])C1 ZINC000669528961 493508881 /nfs/dbraw/zinc/50/88/81/493508881.db2.gz XVFITGQJWZUBJG-OLZOCXBDSA-N 2 2 352.870 0.598 10 0 FCAELP C[N@H+]1CCN(C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)[C@@H](C[NH3+])C1 ZINC000669528961 493508883 /nfs/dbraw/zinc/50/88/83/493508883.db2.gz XVFITGQJWZUBJG-OLZOCXBDSA-N 2 2 352.870 0.598 10 0 FCAELP C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2cn3ccccc3[nH+]2)cn1 ZINC000676088541 493521981 /nfs/dbraw/zinc/52/19/81/493521981.db2.gz AWKYBMLNWLJOMG-UHFFFAOYSA-N 2 2 355.402 0.347 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676089677 493522729 /nfs/dbraw/zinc/52/27/29/493522729.db2.gz ITKADRRZTGVUQI-UHFFFAOYSA-N 2 2 359.434 0.161 10 0 FCAELP C[C@@H](NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000676094573 493523321 /nfs/dbraw/zinc/52/33/21/493523321.db2.gz JZJCWFLHRSEOCV-ZIAGYGMSSA-N 2 2 372.429 0.431 10 0 FCAELP C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CCO1 ZINC000676094489 493523466 /nfs/dbraw/zinc/52/34/66/493523466.db2.gz ZFRSFOVXLQFODG-CYBMUJFWSA-N 2 2 358.402 0.043 10 0 FCAELP C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CCO1 ZINC000676094489 493523468 /nfs/dbraw/zinc/52/34/68/493523468.db2.gz ZFRSFOVXLQFODG-CYBMUJFWSA-N 2 2 358.402 0.043 10 0 FCAELP O=C(NCC[NH+]1CCSCC1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676095365 493523986 /nfs/dbraw/zinc/52/39/86/493523986.db2.gz NIIWFCYDGQCGJU-UHFFFAOYSA-N 2 2 360.443 0.371 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000676098620 493524310 /nfs/dbraw/zinc/52/43/10/493524310.db2.gz SMUBXFRLCUCUQJ-UHFFFAOYSA-N 2 2 372.429 0.387 10 0 FCAELP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676097401 493524631 /nfs/dbraw/zinc/52/46/31/493524631.db2.gz QKBQNLXTGIXWOU-UHFFFAOYSA-N 2 2 361.450 0.552 10 0 FCAELP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000662741171 493535957 /nfs/dbraw/zinc/53/59/57/493535957.db2.gz DDRONUWOKKKPTO-HOTGVXAUSA-N 2 2 352.429 0.916 10 0 FCAELP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000662741171 493535959 /nfs/dbraw/zinc/53/59/59/493535959.db2.gz DDRONUWOKKKPTO-HOTGVXAUSA-N 2 2 352.429 0.916 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000662747636 493537341 /nfs/dbraw/zinc/53/73/41/493537341.db2.gz ZZPYXDPTGZPDPP-INIZCTEOSA-N 2 2 354.401 0.587 10 0 FCAELP CCN1CC[C@H](NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1=O ZINC000670044813 493542746 /nfs/dbraw/zinc/54/27/46/493542746.db2.gz FWLKMPVBSORRPJ-INIZCTEOSA-N 2 2 365.522 0.857 10 0 FCAELP C[NH+](C)CC[C@H]([NH3+])C(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000662887676 493549711 /nfs/dbraw/zinc/54/97/11/493549711.db2.gz NCHMBWRKWOWQJG-SFHVURJKSA-N 3 2 359.518 0.736 10 0 FCAELP COCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662922131 493553902 /nfs/dbraw/zinc/55/39/02/493553902.db2.gz OVBAVQLZWPKDEC-QGZVFWFLSA-N 2 2 366.506 0.015 10 0 FCAELP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662937370 493556720 /nfs/dbraw/zinc/55/67/20/493556720.db2.gz GWDHVBYLRHBURE-HUUCEWRRSA-N 2 2 364.421 0.658 10 0 FCAELP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000662959805 493560902 /nfs/dbraw/zinc/56/09/02/493560902.db2.gz LMSMIOVMNUGUPU-CVEARBPZSA-N 2 2 359.405 0.851 10 0 FCAELP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000662959805 493560905 /nfs/dbraw/zinc/56/09/05/493560905.db2.gz LMSMIOVMNUGUPU-CVEARBPZSA-N 2 2 359.405 0.851 10 0 FCAELP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000670732253 493592699 /nfs/dbraw/zinc/59/26/99/493592699.db2.gz KIFGMYIOKUADQG-HOTGVXAUSA-N 2 2 373.432 0.975 10 0 FCAELP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000670732253 493592701 /nfs/dbraw/zinc/59/27/01/493592701.db2.gz KIFGMYIOKUADQG-HOTGVXAUSA-N 2 2 373.432 0.975 10 0 FCAELP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)C[C@@H](C)O1 ZINC000670772923 493595321 /nfs/dbraw/zinc/59/53/21/493595321.db2.gz BDZDNOIOTHMUDF-KFWWJZLASA-N 2 2 354.495 0.201 10 0 FCAELP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)C[C@@H](C)O1 ZINC000670772923 493595323 /nfs/dbraw/zinc/59/53/23/493595323.db2.gz BDZDNOIOTHMUDF-KFWWJZLASA-N 2 2 354.495 0.201 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000670979181 493617763 /nfs/dbraw/zinc/61/77/63/493617763.db2.gz OBHUHKPKFOJDMP-MRXNPFEDSA-N 2 2 359.474 0.851 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000670979143 493618061 /nfs/dbraw/zinc/61/80/61/493618061.db2.gz AFHVAGKRGPSBNI-UHFFFAOYSA-N 2 2 368.441 0.508 10 0 FCAELP CCN(C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)[C@@H]1CC[N@H+](C)C1 ZINC000663782013 493618180 /nfs/dbraw/zinc/61/81/80/493618180.db2.gz MOANEBOEFWIYNG-NVXWUHKLSA-N 2 2 356.536 0.930 10 0 FCAELP CCN(C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)[C@@H]1CC[N@@H+](C)C1 ZINC000663782013 493618181 /nfs/dbraw/zinc/61/81/81/493618181.db2.gz MOANEBOEFWIYNG-NVXWUHKLSA-N 2 2 356.536 0.930 10 0 FCAELP CN1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCC1=O ZINC000663876349 493622912 /nfs/dbraw/zinc/62/29/12/493622912.db2.gz DEXSOFSHGUDFQT-UHFFFAOYSA-N 2 2 351.495 0.419 10 0 FCAELP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000671032247 493624521 /nfs/dbraw/zinc/62/45/21/493624521.db2.gz PUJIHTHOZWWHBR-GOSISDBHSA-N 2 2 374.485 0.518 10 0 FCAELP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000671032247 493624524 /nfs/dbraw/zinc/62/45/24/493624524.db2.gz PUJIHTHOZWWHBR-GOSISDBHSA-N 2 2 374.485 0.518 10 0 FCAELP Cc1cccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000671062925 493628681 /nfs/dbraw/zinc/62/86/81/493628681.db2.gz HXECIZQYJQMYGC-INIZCTEOSA-N 2 2 359.474 0.291 10 0 FCAELP Cc1cccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000671062925 493628683 /nfs/dbraw/zinc/62/86/83/493628683.db2.gz HXECIZQYJQMYGC-INIZCTEOSA-N 2 2 359.474 0.291 10 0 FCAELP C[N@@H+]1CCC[C@H](N2CC[NH+](CC(=O)N3CCOC[C@@H]3C3CC3)CC2)C1 ZINC000677985524 493629318 /nfs/dbraw/zinc/62/93/18/493629318.db2.gz CQTMOQVHHSDTGM-ZWKOTPCHSA-N 2 2 350.507 0.336 10 0 FCAELP C[N@H+]1CCC[C@H](N2CC[NH+](CC(=O)N3CCOC[C@@H]3C3CC3)CC2)C1 ZINC000677985524 493629322 /nfs/dbraw/zinc/62/93/22/493629322.db2.gz CQTMOQVHHSDTGM-ZWKOTPCHSA-N 2 2 350.507 0.336 10 0 FCAELP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC(=O)N1CCOC[C@H]1C1CC1 ZINC000677988899 493629634 /nfs/dbraw/zinc/62/96/34/493629634.db2.gz NKJHOISPJGSVOL-BDXSIMOUSA-N 2 2 351.491 0.807 10 0 FCAELP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC(=O)N1CCOC[C@H]1C1CC1 ZINC000677988899 493629636 /nfs/dbraw/zinc/62/96/36/493629636.db2.gz NKJHOISPJGSVOL-BDXSIMOUSA-N 2 2 351.491 0.807 10 0 FCAELP COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000664065923 493634346 /nfs/dbraw/zinc/63/43/46/493634346.db2.gz OYTSWEAFRFUFNQ-LSDHHAIUSA-N 2 2 367.494 0.890 10 0 FCAELP COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000664065923 493634347 /nfs/dbraw/zinc/63/43/47/493634347.db2.gz OYTSWEAFRFUFNQ-LSDHHAIUSA-N 2 2 367.494 0.890 10 0 FCAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000671117153 493638168 /nfs/dbraw/zinc/63/81/68/493638168.db2.gz CHZVMROIAMHIIQ-RDJZCZTQSA-N 2 2 371.485 0.862 10 0 FCAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000671117153 493638171 /nfs/dbraw/zinc/63/81/71/493638171.db2.gz CHZVMROIAMHIIQ-RDJZCZTQSA-N 2 2 371.485 0.862 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000664175234 493642044 /nfs/dbraw/zinc/64/20/44/493642044.db2.gz YOKOVFVJMYXXJZ-QGZVFWFLSA-N 3 2 369.554 0.670 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000664175234 493642046 /nfs/dbraw/zinc/64/20/46/493642046.db2.gz YOKOVFVJMYXXJZ-QGZVFWFLSA-N 3 2 369.554 0.670 10 0 FCAELP CC(C)Cn1cc[nH+]c1CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000664210571 493644929 /nfs/dbraw/zinc/64/49/29/493644929.db2.gz MSDWMEGJVXVKKD-UHFFFAOYSA-N 2 2 352.483 0.701 10 0 FCAELP Cn1cc(N2CCC[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C2)cn1 ZINC000664218659 493645168 /nfs/dbraw/zinc/64/51/68/493645168.db2.gz OUAVHRSLFGHJNW-INIZCTEOSA-N 2 2 365.526 0.572 10 0 FCAELP Cn1cc(N2CCC[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C2)cn1 ZINC000664218659 493645171 /nfs/dbraw/zinc/64/51/71/493645171.db2.gz OUAVHRSLFGHJNW-INIZCTEOSA-N 2 2 365.526 0.572 10 0 FCAELP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000671405652 493666903 /nfs/dbraw/zinc/66/69/03/493666903.db2.gz WGYYUNNEGXDCBA-AWEZNQCLSA-N 2 2 359.405 0.838 10 0 FCAELP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000671405652 493666904 /nfs/dbraw/zinc/66/69/04/493666904.db2.gz WGYYUNNEGXDCBA-AWEZNQCLSA-N 2 2 359.405 0.838 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ncnn1-c1ccccc1 ZINC000664769608 493682589 /nfs/dbraw/zinc/68/25/89/493682589.db2.gz HWFMDUVZIPYVDI-UHFFFAOYSA-N 2 2 359.478 0.950 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ncnn1-c1ccccc1 ZINC000664769608 493682592 /nfs/dbraw/zinc/68/25/92/493682592.db2.gz HWFMDUVZIPYVDI-UHFFFAOYSA-N 2 2 359.478 0.950 10 0 FCAELP CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000679509393 493685484 /nfs/dbraw/zinc/68/54/84/493685484.db2.gz HNOZUCPITMPOBV-CQSZACIVSA-N 2 2 372.429 0.121 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](Nc2nc(N3CCOCC3)cc[nH+]2)C1=O ZINC000679931809 493701764 /nfs/dbraw/zinc/70/17/64/493701764.db2.gz CTHCGGYJINVAIF-CQSZACIVSA-N 2 2 371.445 0.650 10 0 FCAELP CN1c2ccccc2C[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1=O ZINC000665622285 493727383 /nfs/dbraw/zinc/72/73/83/493727383.db2.gz PSYKIBHCYPGESG-MRXNPFEDSA-N 2 2 361.490 0.757 10 0 FCAELP CN1c2ccccc2C[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1=O ZINC000665622285 493727385 /nfs/dbraw/zinc/72/73/85/493727385.db2.gz PSYKIBHCYPGESG-MRXNPFEDSA-N 2 2 361.490 0.757 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000665759406 493733011 /nfs/dbraw/zinc/73/30/11/493733011.db2.gz FODKHZCQRNWGLH-INIZCTEOSA-N 3 2 357.543 0.357 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000665759406 493733013 /nfs/dbraw/zinc/73/30/13/493733013.db2.gz FODKHZCQRNWGLH-INIZCTEOSA-N 3 2 357.543 0.357 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000665761611 493733571 /nfs/dbraw/zinc/73/35/71/493733571.db2.gz KFDNBIILRGMTAJ-IRXDYDNUSA-N 3 2 371.570 0.745 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000665761611 493733573 /nfs/dbraw/zinc/73/35/73/493733573.db2.gz KFDNBIILRGMTAJ-IRXDYDNUSA-N 3 2 371.570 0.745 10 0 FCAELP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000665761611 493733575 /nfs/dbraw/zinc/73/35/75/493733575.db2.gz KFDNBIILRGMTAJ-IRXDYDNUSA-N 3 2 371.570 0.745 10 0 FCAELP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000665761611 493733578 /nfs/dbraw/zinc/73/35/78/493733578.db2.gz KFDNBIILRGMTAJ-IRXDYDNUSA-N 3 2 371.570 0.745 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000665761416 493733710 /nfs/dbraw/zinc/73/37/10/493733710.db2.gz CLTSQFJIQYQQRW-IRXDYDNUSA-N 3 2 371.570 0.745 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000665761416 493733712 /nfs/dbraw/zinc/73/37/12/493733712.db2.gz CLTSQFJIQYQQRW-IRXDYDNUSA-N 3 2 371.570 0.745 10 0 FCAELP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000665761416 493733714 /nfs/dbraw/zinc/73/37/14/493733714.db2.gz CLTSQFJIQYQQRW-IRXDYDNUSA-N 3 2 371.570 0.745 10 0 FCAELP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000665761416 493733716 /nfs/dbraw/zinc/73/37/16/493733716.db2.gz CLTSQFJIQYQQRW-IRXDYDNUSA-N 3 2 371.570 0.745 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000665761415 493734413 /nfs/dbraw/zinc/73/44/13/493734413.db2.gz CLTSQFJIQYQQRW-DLBZAZTESA-N 3 2 371.570 0.745 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000665761415 493734414 /nfs/dbraw/zinc/73/44/14/493734414.db2.gz CLTSQFJIQYQQRW-DLBZAZTESA-N 3 2 371.570 0.745 10 0 FCAELP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000665761415 493734416 /nfs/dbraw/zinc/73/44/16/493734416.db2.gz CLTSQFJIQYQQRW-DLBZAZTESA-N 3 2 371.570 0.745 10 0 FCAELP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000665761415 493734418 /nfs/dbraw/zinc/73/44/18/493734418.db2.gz CLTSQFJIQYQQRW-DLBZAZTESA-N 3 2 371.570 0.745 10 0 FCAELP CCN(C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1CC[N@H+](C)C1 ZINC000666238818 493763767 /nfs/dbraw/zinc/76/37/67/493763767.db2.gz FWTRHGNIYJWKNM-MRXNPFEDSA-N 2 2 350.467 0.773 10 0 FCAELP CCN(C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000666238818 493763768 /nfs/dbraw/zinc/76/37/68/493763768.db2.gz FWTRHGNIYJWKNM-MRXNPFEDSA-N 2 2 350.467 0.773 10 0 FCAELP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000190034559 533867409 /nfs/dbraw/zinc/86/74/09/533867409.db2.gz ZAYUWGCKNZJURC-OAHLLOKOSA-N 2 2 362.474 0.520 10 0 FCAELP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000190034559 533867417 /nfs/dbraw/zinc/86/74/17/533867417.db2.gz ZAYUWGCKNZJURC-OAHLLOKOSA-N 2 2 362.474 0.520 10 0 FCAELP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000410813970 528434377 /nfs/dbraw/zinc/43/43/77/528434377.db2.gz XVAAWYVKIFDQRW-UHFFFAOYSA-N 2 2 361.490 0.839 10 0 FCAELP CCOC(=O)C1CCN(c2nc[nH+]c(NN3CC[NH+](C)CC3)c2N)CC1 ZINC000040752450 535605032 /nfs/dbraw/zinc/60/50/32/535605032.db2.gz CLESUVLICBRGLG-UHFFFAOYSA-N 2 2 363.466 0.413 10 0 FCAELP CCOC(=O)C1CCN(c2[nH+]cnc(N3CC[NH+](CC)CC3)c2N)CC1 ZINC000040726560 535605219 /nfs/dbraw/zinc/60/52/19/535605219.db2.gz ONSBNJUEIIJLJU-UHFFFAOYSA-N 2 2 362.478 0.980 10 0 FCAELP CCN1CC[NH+](C[C@H](C)CNC(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)CC1 ZINC000419460520 535712345 /nfs/dbraw/zinc/71/23/45/535712345.db2.gz IDRLYDLSXDUNEV-SQNIBIBYSA-N 2 2 369.554 0.357 10 0 FCAELP CCN1CC[NH+](C[C@H](C)CNC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)CC1 ZINC000419460520 535712351 /nfs/dbraw/zinc/71/23/51/535712351.db2.gz IDRLYDLSXDUNEV-SQNIBIBYSA-N 2 2 369.554 0.357 10 0 FCAELP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)CC1 ZINC000419460520 535712358 /nfs/dbraw/zinc/71/23/58/535712358.db2.gz IDRLYDLSXDUNEV-SQNIBIBYSA-N 2 2 369.554 0.357 10 0 FCAELP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)CC1 ZINC000419460520 535712360 /nfs/dbraw/zinc/71/23/60/535712360.db2.gz IDRLYDLSXDUNEV-SQNIBIBYSA-N 2 2 369.554 0.357 10 0 FCAELP C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000443030366 535973162 /nfs/dbraw/zinc/97/31/62/535973162.db2.gz UILXHAKOBRDUKV-MRXNPFEDSA-N 2 2 352.460 0.522 10 0 FCAELP COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000594820343 546835048 /nfs/dbraw/zinc/83/50/48/546835048.db2.gz CBJCAZXMOONUKH-LSDHHAIUSA-N 2 2 363.524 0.521 10 0 FCAELP COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000594820343 546835053 /nfs/dbraw/zinc/83/50/53/546835053.db2.gz CBJCAZXMOONUKH-LSDHHAIUSA-N 2 2 363.524 0.521 10 0 FCAELP COCCC[N@H+](C)CCNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000537230553 546917731 /nfs/dbraw/zinc/91/77/31/546917731.db2.gz KULBTQLOGFXNJW-UHFFFAOYSA-N 2 2 350.463 0.612 10 0 FCAELP COCCC[N@@H+](C)CCNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000537230553 546917734 /nfs/dbraw/zinc/91/77/34/546917734.db2.gz KULBTQLOGFXNJW-UHFFFAOYSA-N 2 2 350.463 0.612 10 0 FCAELP CC1(C)C[NH+](CC(=O)NC[C@@H](NC(=O)C[NH+]2CC(C)(C)C2)C2CC2)C1 ZINC000553085116 547251976 /nfs/dbraw/zinc/25/19/76/547251976.db2.gz ONAKIOUOSABTEN-OAHLLOKOSA-N 2 2 350.507 0.681 10 0 FCAELP [NH3+]C[C@@]1(c2ccccc2)C[C@H](NS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000923741996 665891063 /nfs/dbraw/zinc/89/10/63/665891063.db2.gz XMWPAHCNWJVFCW-HDICACEKSA-N 2 2 367.515 0.687 10 0 FCAELP CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCC1 ZINC000925815035 664833576 /nfs/dbraw/zinc/83/35/76/664833576.db2.gz SKPWHNDRQYPRDP-LSDHHAIUSA-N 2 2 359.536 0.984 10 0 FCAELP C[C@@H](NC(=O)C1C[NH+]([C@H]2CCOC2)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000896685948 665103192 /nfs/dbraw/zinc/10/31/92/665103192.db2.gz MIPNFPZBLJLRON-WBVHZDCISA-N 2 2 351.491 0.857 10 0 FCAELP C[C@@H](NC(=O)C1C[NH+]([C@@H]2CCOC2)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000896685946 665103252 /nfs/dbraw/zinc/10/32/52/665103252.db2.gz MIPNFPZBLJLRON-NVXWUHKLSA-N 2 2 351.491 0.857 10 0 FCAELP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000925174174 665178288 /nfs/dbraw/zinc/17/82/88/665178288.db2.gz ONBRRLFJGVURBF-FZKCQIBNSA-N 2 2 354.520 0.729 10 0 FCAELP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000925174174 665178290 /nfs/dbraw/zinc/17/82/90/665178290.db2.gz ONBRRLFJGVURBF-FZKCQIBNSA-N 2 2 354.520 0.729 10 0 FCAELP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925174174 665178293 /nfs/dbraw/zinc/17/82/93/665178293.db2.gz ONBRRLFJGVURBF-FZKCQIBNSA-N 2 2 354.520 0.729 10 0 FCAELP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000925174174 665178294 /nfs/dbraw/zinc/17/82/94/665178294.db2.gz ONBRRLFJGVURBF-FZKCQIBNSA-N 2 2 354.520 0.729 10 0 FCAELP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCc2sccc2C1 ZINC000897488325 665293908 /nfs/dbraw/zinc/29/39/08/665293908.db2.gz AHPLWMRLHMWNNA-UKRRQHHQSA-N 2 2 364.515 0.821 10 0 FCAELP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCc2sccc2C1 ZINC000897488325 665293911 /nfs/dbraw/zinc/29/39/11/665293911.db2.gz AHPLWMRLHMWNNA-UKRRQHHQSA-N 2 2 364.515 0.821 10 0 FCAELP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000897488325 665293912 /nfs/dbraw/zinc/29/39/12/665293912.db2.gz AHPLWMRLHMWNNA-UKRRQHHQSA-N 2 2 364.515 0.821 10 0 FCAELP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000897488325 665293914 /nfs/dbraw/zinc/29/39/14/665293914.db2.gz AHPLWMRLHMWNNA-UKRRQHHQSA-N 2 2 364.515 0.821 10 0 FCAELP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1CC)c1ccco1 ZINC000897535148 665312057 /nfs/dbraw/zinc/31/20/57/665312057.db2.gz AHCDWBSSOKCDCT-LSDHHAIUSA-N 2 2 350.463 0.989 10 0 FCAELP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1CC)c1ccco1 ZINC000897535148 665312065 /nfs/dbraw/zinc/31/20/65/665312065.db2.gz AHCDWBSSOKCDCT-LSDHHAIUSA-N 2 2 350.463 0.989 10 0 FCAELP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1CC)c1ccco1 ZINC000897535145 665312096 /nfs/dbraw/zinc/31/20/96/665312096.db2.gz AHCDWBSSOKCDCT-CABCVRRESA-N 2 2 350.463 0.989 10 0 FCAELP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+]1CC)c1ccco1 ZINC000897535145 665312099 /nfs/dbraw/zinc/31/20/99/665312099.db2.gz AHCDWBSSOKCDCT-CABCVRRESA-N 2 2 350.463 0.989 10 0 FCAELP O=S(=O)(CCC[NH+]1CCOCC1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000905346736 666018011 /nfs/dbraw/zinc/01/80/11/666018011.db2.gz XWIYPYCOEKCDNC-QZTJIDSGSA-N 2 2 367.515 0.774 10 0 FCAELP C/C(=C/C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)C[NH+]1CCOCC1 ZINC000908021992 666177196 /nfs/dbraw/zinc/17/71/96/666177196.db2.gz SWOXRZHHQOQIEM-FDWYHIAWSA-N 2 2 351.491 0.836 10 0 FCAELP C/C(=C\C(=O)N1CCC([N@H+]2CCOC[C@@H]2C)CC1)C[NH+]1CCOCC1 ZINC000908317475 666199329 /nfs/dbraw/zinc/19/93/29/666199329.db2.gz YYMJJHRAHRFPHZ-MAUBAPBLSA-N 2 2 351.491 0.977 10 0 FCAELP C/C(=C\C(=O)N1CCC([N@@H+]2CCOC[C@@H]2C)CC1)C[NH+]1CCOCC1 ZINC000908317475 666199331 /nfs/dbraw/zinc/19/93/31/666199331.db2.gz YYMJJHRAHRFPHZ-MAUBAPBLSA-N 2 2 351.491 0.977 10 0 FCAELP CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000069411704 666508630 /nfs/dbraw/zinc/50/86/30/666508630.db2.gz FLTWBTPOKCCVGP-HNNXBMFYSA-N 2 2 360.524 0.279 10 0 FCAELP CC[N@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000069411704 666508632 /nfs/dbraw/zinc/50/86/32/666508632.db2.gz FLTWBTPOKCCVGP-HNNXBMFYSA-N 2 2 360.524 0.279 10 0 FCAELP C/C(=C\C(=O)N1CCC(C)([NH+]2CCOCC2)CC1)C[NH+]1CCOCC1 ZINC000913152455 666509127 /nfs/dbraw/zinc/50/91/27/666509127.db2.gz PCMZHFFJWPIUHC-BMRADRMJSA-N 2 2 351.491 0.978 10 0 FCAELP CC(C)(CNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)[NH+]1CCOCC1 ZINC000913876435 666661072 /nfs/dbraw/zinc/66/10/72/666661072.db2.gz AILLNGDYMWTKAH-CABCVRRESA-N 2 2 356.536 0.976 10 0 FCAELP CC(C)(CNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)[NH+]1CCOCC1 ZINC000913876435 666661074 /nfs/dbraw/zinc/66/10/74/666661074.db2.gz AILLNGDYMWTKAH-CABCVRRESA-N 2 2 356.536 0.976 10 0 FCAELP CCOC1CC(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)([NH+]2CCOCC2)C1 ZINC000922212144 667618742 /nfs/dbraw/zinc/61/87/42/667618742.db2.gz CKYGETGATLORFN-JBCIKUTRSA-N 2 2 354.495 0.648 10 0 FCAELP CCOC1CC(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)([NH+]2CCOCC2)C1 ZINC000922212144 667618744 /nfs/dbraw/zinc/61/87/44/667618744.db2.gz CKYGETGATLORFN-JBCIKUTRSA-N 2 2 354.495 0.648 10 0 FCAELP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CC1=Nc3ccccc3S(=O)(=O)N1)CC2 ZINC000923449042 667836816 /nfs/dbraw/zinc/83/68/16/667836816.db2.gz JUDVTTSBRWHMRE-CYBMUJFWSA-N 2 2 364.471 0.838 10 0 FCAELP CC(C)[N@H+](C[C@H]1CCC(=O)N1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000840186491 669646675 /nfs/dbraw/zinc/64/66/75/669646675.db2.gz BHSPTDMDXGRHDF-QAPCUYQASA-N 2 2 350.463 0.850 10 0 FCAELP CC(C)[N@@H+](C[C@H]1CCC(=O)N1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000840186491 669646676 /nfs/dbraw/zinc/64/66/76/669646676.db2.gz BHSPTDMDXGRHDF-QAPCUYQASA-N 2 2 350.463 0.850 10 0 FCAELP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000852750182 671523084 /nfs/dbraw/zinc/52/30/84/671523084.db2.gz MXEAQKUQEQRTJS-CRAIPNDOSA-N 2 2 352.479 0.751 10 0 FCAELP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000852750182 671523086 /nfs/dbraw/zinc/52/30/86/671523086.db2.gz MXEAQKUQEQRTJS-CRAIPNDOSA-N 2 2 352.479 0.751 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cn1cccc(C(F)(F)F)c1=O ZINC000855417277 671641963 /nfs/dbraw/zinc/64/19/63/671641963.db2.gz WQYSEYGWPOQQHX-UHFFFAOYSA-N 2 2 362.396 0.867 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cn1cccc(C(F)(F)F)c1=O ZINC000855417277 671641965 /nfs/dbraw/zinc/64/19/65/671641965.db2.gz WQYSEYGWPOQQHX-UHFFFAOYSA-N 2 2 362.396 0.867 10 0 FCAELP Cc1c(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cnn1C ZINC000903562630 675945291 /nfs/dbraw/zinc/94/52/91/675945291.db2.gz RDAIAXPXSYWYGK-GASCZTMLSA-N 2 2 353.492 0.318 10 0 FCAELP Cc1c(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cnn1C ZINC000903562630 675945292 /nfs/dbraw/zinc/94/52/92/675945292.db2.gz RDAIAXPXSYWYGK-GASCZTMLSA-N 2 2 353.492 0.318 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C2)CC1 ZINC000865748973 672249977 /nfs/dbraw/zinc/24/99/77/672249977.db2.gz KZJXMMRKESQUSR-BNOWGMLFSA-N 2 2 365.396 0.617 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C2)CC1 ZINC000865748973 672249980 /nfs/dbraw/zinc/24/99/80/672249980.db2.gz KZJXMMRKESQUSR-BNOWGMLFSA-N 2 2 365.396 0.617 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)N[C@@H](Cc4cncs4)C3=O)C2)CC1 ZINC000871894339 672580153 /nfs/dbraw/zinc/58/01/53/672580153.db2.gz NTNBJXRKFSNGSQ-ZFWWWQNUSA-N 2 2 363.487 0.775 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)N[C@@H](Cc4cncs4)C3=O)C2)CC1 ZINC000871894339 672580158 /nfs/dbraw/zinc/58/01/58/672580158.db2.gz NTNBJXRKFSNGSQ-ZFWWWQNUSA-N 2 2 363.487 0.775 10 0 FCAELP CCS(=O)(=O)NCC[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C)c2)C1 ZINC000886096438 673557814 /nfs/dbraw/zinc/55/78/14/673557814.db2.gz HNBDPKKYWITLHK-INIZCTEOSA-N 2 2 356.492 0.536 10 0 FCAELP CCS(=O)(=O)NCC[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C)c2)C1 ZINC000886096438 673557816 /nfs/dbraw/zinc/55/78/16/673557816.db2.gz HNBDPKKYWITLHK-INIZCTEOSA-N 2 2 356.492 0.536 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)N[C@H]2CCC[N@H+](CCCO)C2)n1 ZINC000924780978 673764163 /nfs/dbraw/zinc/76/41/63/673764163.db2.gz ATLVGRXTKCFEON-ZDUSSCGKSA-N 2 2 355.508 0.851 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)n1 ZINC000924780978 673764164 /nfs/dbraw/zinc/76/41/64/673764164.db2.gz ATLVGRXTKCFEON-ZDUSSCGKSA-N 2 2 355.508 0.851 10 0 FCAELP CN(C(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000925164322 673780243 /nfs/dbraw/zinc/78/02/43/673780243.db2.gz OCONLYLNMDDQIC-QXSJWSMHSA-N 2 2 354.520 0.681 10 0 FCAELP CN(C(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12)[C@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000925164322 673780245 /nfs/dbraw/zinc/78/02/45/673780245.db2.gz OCONLYLNMDDQIC-QXSJWSMHSA-N 2 2 354.520 0.681 10 0 FCAELP CN(C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000925164322 673780249 /nfs/dbraw/zinc/78/02/49/673780249.db2.gz OCONLYLNMDDQIC-QXSJWSMHSA-N 2 2 354.520 0.681 10 0 FCAELP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000928103141 673902151 /nfs/dbraw/zinc/90/21/51/673902151.db2.gz WJMBWSNHIDKXOY-PMPSAXMXSA-N 2 2 369.531 0.958 10 0 FCAELP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000928103141 673902152 /nfs/dbraw/zinc/90/21/52/673902152.db2.gz WJMBWSNHIDKXOY-PMPSAXMXSA-N 2 2 369.531 0.958 10 0 FCAELP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)C1 ZINC000928103141 673902156 /nfs/dbraw/zinc/90/21/56/673902156.db2.gz WJMBWSNHIDKXOY-PMPSAXMXSA-N 2 2 369.531 0.958 10 0 FCAELP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)C1 ZINC000928103141 673902158 /nfs/dbraw/zinc/90/21/58/673902158.db2.gz WJMBWSNHIDKXOY-PMPSAXMXSA-N 2 2 369.531 0.958 10 0 FCAELP Cc1[nH+]ccn1CCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000929404101 673954821 /nfs/dbraw/zinc/95/48/21/673954821.db2.gz QDMREHNRWDJPNX-CABCVRRESA-N 2 2 365.503 0.394 10 0 FCAELP Cc1[nH+]ccn1CCCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000929404101 673954823 /nfs/dbraw/zinc/95/48/23/673954823.db2.gz QDMREHNRWDJPNX-CABCVRRESA-N 2 2 365.503 0.394 10 0 FCAELP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000929865160 673981149 /nfs/dbraw/zinc/98/11/49/673981149.db2.gz KUQYCGWDNKUTLQ-UONOGXRCSA-N 2 2 351.476 0.004 10 0 FCAELP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000929865160 673981153 /nfs/dbraw/zinc/98/11/53/673981153.db2.gz KUQYCGWDNKUTLQ-UONOGXRCSA-N 2 2 351.476 0.004 10 0 FCAELP C[N@@H+]1CCC[C@](O)(CC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000900334152 675674797 /nfs/dbraw/zinc/67/47/97/675674797.db2.gz HGWXAEUINCLLFV-IRXDYDNUSA-N 2 2 357.520 0.157 10 0 FCAELP C[N@H+]1CCC[C@](O)(CC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000900334152 675674799 /nfs/dbraw/zinc/67/47/99/675674799.db2.gz HGWXAEUINCLLFV-IRXDYDNUSA-N 2 2 357.520 0.157 10 0 FCAELP O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000901057297 675746959 /nfs/dbraw/zinc/74/69/59/675746959.db2.gz GOQGZVPBYRTFMD-KSZLIROESA-N 2 2 351.491 0.953 10 0 FCAELP O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000901057297 675746961 /nfs/dbraw/zinc/74/69/61/675746961.db2.gz GOQGZVPBYRTFMD-KSZLIROESA-N 2 2 351.491 0.953 10 0 FCAELP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001482929639 1192435292 /nfs/dbraw/zinc/43/52/92/1192435292.db2.gz CWZTYDASRYNZKK-JHJVBQTASA-N 2 2 364.450 0.186 10 0 FCAELP O=C(NC/C=C\C[NH2+]C[C@H]1CCCS(=O)(=O)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001483023178 1192718055 /nfs/dbraw/zinc/71/80/55/1192718055.db2.gz WJKQRNFVYWHTKQ-PDAPNNNUSA-N 2 2 366.487 0.600 10 0 FCAELP O=C(NC/C=C\C[NH2+]C[C@H]1CCCS(=O)(=O)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001483023178 1192718056 /nfs/dbraw/zinc/71/80/56/1192718056.db2.gz WJKQRNFVYWHTKQ-PDAPNNNUSA-N 2 2 366.487 0.600 10 0 FCAELP CCN(C)C(=O)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001481499675 1186192025 /nfs/dbraw/zinc/19/20/25/1186192025.db2.gz XNCJSGOQHGFBFH-BZUAXINKSA-N 2 2 361.490 0.782 10 0 FCAELP C[C@@H](C[NH2+]CCCN1CCCC1=O)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001268086379 1186295679 /nfs/dbraw/zinc/29/56/79/1186295679.db2.gz LZEKKLGSUZGWLW-ARFHVFGLSA-N 2 2 361.490 0.973 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCCn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000549889229 1187582110 /nfs/dbraw/zinc/58/21/10/1187582110.db2.gz UKNYTQLBMTYTAG-IAGOWNOFSA-N 2 2 355.442 0.951 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)NCCCn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000549889229 1187582114 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ZINC000906221413 1195617941 /nfs/dbraw/zinc/61/79/41/1195617941.db2.gz GNLZSAIWBDDLBY-KRWDZBQOSA-N 2 2 361.490 0.675 10 0 FCAELP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[N@H+](C)[C@@H](CO)C3)cc2)CC1 ZINC000913551691 1196457950 /nfs/dbraw/zinc/45/79/50/1196457950.db2.gz WQWAIDFOSXVPMV-LJQANCHMSA-N 2 2 360.502 0.966 10 0 FCAELP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[N@@H+](C)[C@@H](CO)C3)cc2)CC1 ZINC000913551691 1196457955 /nfs/dbraw/zinc/45/79/55/1196457955.db2.gz WQWAIDFOSXVPMV-LJQANCHMSA-N 2 2 360.502 0.966 10 0 FCAELP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592181048 1196541377 /nfs/dbraw/zinc/54/13/77/1196541377.db2.gz AVXZJZSDHHALMD-MRXNPFEDSA-N 2 2 367.490 0.727 10 0 FCAELP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592181048 1196541380 /nfs/dbraw/zinc/54/13/80/1196541380.db2.gz AVXZJZSDHHALMD-MRXNPFEDSA-N 2 2 367.490 0.727 10 0 FCAELP COC(=O)[C@H]1CN(C(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@H+](C)C1 ZINC000594256300 1196700443 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ZINC000594256299 1196700648 /nfs/dbraw/zinc/70/06/48/1196700648.db2.gz QBDWLKCFTSFDKU-JONQDZQNSA-N 2 2 370.494 0.230 10 0 FCAELP COC(=O)[C@@H]1CN(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+](C)C1 ZINC000594256299 1196700654 /nfs/dbraw/zinc/70/06/54/1196700654.db2.gz QBDWLKCFTSFDKU-JONQDZQNSA-N 2 2 370.494 0.230 10 0 FCAELP COC(=O)[C@@H]1CN(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+](C)C1 ZINC000594256299 1196700666 /nfs/dbraw/zinc/70/06/66/1196700666.db2.gz QBDWLKCFTSFDKU-JONQDZQNSA-N 2 2 370.494 0.230 10 0 FCAELP CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000745087138 1198354413 /nfs/dbraw/zinc/35/44/13/1198354413.db2.gz IZRHOYVVUTYBSM-SJORKVTESA-N 2 2 369.506 0.877 10 0 FCAELP CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000745087138 1198354424 /nfs/dbraw/zinc/35/44/24/1198354424.db2.gz IZRHOYVVUTYBSM-SJORKVTESA-N 2 2 369.506 0.877 10 0 FCAELP CC[NH+]1CCCC[C@H]1C(=O)OCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000745087138 1198354436 /nfs/dbraw/zinc/35/44/36/1198354436.db2.gz IZRHOYVVUTYBSM-SJORKVTESA-N 2 2 369.506 0.877 10 0 FCAELP CC[NH+]1CCCC[C@H]1C(=O)OCC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000745087138 1198354446 /nfs/dbraw/zinc/35/44/46/1198354446.db2.gz IZRHOYVVUTYBSM-SJORKVTESA-N 2 2 369.506 0.877 10 0 FCAELP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cn1 ZINC000815703558 1203048363 /nfs/dbraw/zinc/04/83/63/1203048363.db2.gz HYAGIVMJNQXZMM-ZFWWWQNUSA-N 2 2 354.414 0.677 10 0 FCAELP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cn1 ZINC000815703558 1203048368 /nfs/dbraw/zinc/04/83/68/1203048368.db2.gz HYAGIVMJNQXZMM-ZFWWWQNUSA-N 2 2 354.414 0.677 10 0 FCAELP C[C@@H]1[C@H](C(=O)N(C)CCCNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1C ZINC001687521319 1206411422 /nfs/dbraw/zinc/41/14/22/1206411422.db2.gz XXPRSAWGTGVNSE-OWCLPIDISA-N 2 2 361.490 0.750 10 0 FCAELP C[C@@H]1[C@H](C(=O)N(C)CCCNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@H+]1C ZINC001687521319 1206411424 /nfs/dbraw/zinc/41/14/24/1206411424.db2.gz XXPRSAWGTGVNSE-OWCLPIDISA-N 2 2 361.490 0.750 10 0 FCAELP O=C(CC[N@@H+]1CC[C@@]2(CCOC2=O)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC001198809653 1208294869 /nfs/dbraw/zinc/29/48/69/1208294869.db2.gz HXOKBDURCCAXMA-LJQANCHMSA-N 2 2 358.442 0.759 10 0 FCAELP O=C(CC[N@H+]1CC[C@@]2(CCOC2=O)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC001198809653 1208294870 /nfs/dbraw/zinc/29/48/70/1208294870.db2.gz HXOKBDURCCAXMA-LJQANCHMSA-N 2 2 358.442 0.759 10 0 FCAELP COCC[NH+]1CCN(C(=O)C(=O)N2CCC3(CC2)CC[NH+](C)CC3)CC1 ZINC000867313148 1208339203 /nfs/dbraw/zinc/33/92/03/1208339203.db2.gz DAGCMPNGJQRZTI-UHFFFAOYSA-N 2 2 366.506 0.111 10 0 FCAELP CN(CCOCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001487583028 1208381613 /nfs/dbraw/zinc/38/16/13/1208381613.db2.gz PEIHEYYMRDQYQJ-RBSFLKMASA-N 2 2 363.462 0.056 10 0 FCAELP CN(CCOCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001487583028 1208381617 /nfs/dbraw/zinc/38/16/17/1208381617.db2.gz PEIHEYYMRDQYQJ-RBSFLKMASA-N 2 2 363.462 0.056 10 0 FCAELP CN(CCOCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001487583028 1208381622 /nfs/dbraw/zinc/38/16/22/1208381622.db2.gz PEIHEYYMRDQYQJ-RBSFLKMASA-N 2 2 363.462 0.056 10 0 FCAELP CN(CCOCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001487583028 1208381627 /nfs/dbraw/zinc/38/16/27/1208381627.db2.gz PEIHEYYMRDQYQJ-RBSFLKMASA-N 2 2 363.462 0.056 10 0 FCAELP Cc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CC[NH+]3CCOCC3)C2)s1 ZINC001488954747 1208583757 /nfs/dbraw/zinc/58/37/57/1208583757.db2.gz BTZMTBYUNDTJSX-LSDHHAIUSA-N 2 2 367.519 0.943 10 0 FCAELP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1OCC ZINC001489017688 1208608963 /nfs/dbraw/zinc/60/89/63/1208608963.db2.gz RVDLLDWVVVFLGS-ZIAGYGMSSA-N 2 2 365.478 0.277 10 0 FCAELP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001489480090 1208858251 /nfs/dbraw/zinc/85/82/51/1208858251.db2.gz OTHPLESNSGIICH-OWCLPIDISA-N 2 2 361.490 0.658 10 0 FCAELP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001489480090 1208858252 /nfs/dbraw/zinc/85/82/52/1208858252.db2.gz OTHPLESNSGIICH-OWCLPIDISA-N 2 2 361.490 0.658 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001490013397 1209189649 /nfs/dbraw/zinc/18/96/49/1209189649.db2.gz VQQGTLSXNAWBBM-JKSUJKDBSA-N 2 2 361.490 0.800 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CCN1C(=O)Cc1c[nH+]cn1C ZINC001490105032 1209232300 /nfs/dbraw/zinc/23/23/00/1209232300.db2.gz IVQDKHLTKSRXEP-VYDXJSESSA-N 2 2 361.490 0.943 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CCN1C(=O)Cc1c[nH+]cn1C ZINC001490105032 1209232304 /nfs/dbraw/zinc/23/23/04/1209232304.db2.gz IVQDKHLTKSRXEP-VYDXJSESSA-N 2 2 361.490 0.943 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852865784 1209569470 /nfs/dbraw/zinc/56/94/70/1209569470.db2.gz OZIYPMHSEAUKDS-WBVHZDCISA-N 2 2 360.458 0.840 10 0 FCAELP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2nccc(N3CCOCC3)n2)CC1 ZINC000854103414 1209615321 /nfs/dbraw/zinc/61/53/21/1209615321.db2.gz LWPRDHLNSRSCOA-QGZVFWFLSA-N 2 2 363.506 0.805 10 0 FCAELP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2nccc(N3CCOCC3)n2)CC1 ZINC000854103414 1209615327 /nfs/dbraw/zinc/61/53/27/1209615327.db2.gz LWPRDHLNSRSCOA-QGZVFWFLSA-N 2 2 363.506 0.805 10 0 FCAELP CC[NH+]1CCC(NC(=O)C[N@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)CC1 ZINC000856535966 1209714648 /nfs/dbraw/zinc/71/46/48/1209714648.db2.gz OCMMPJJRDLXYKW-ZWKOTPCHSA-N 2 2 373.501 0.437 10 0 FCAELP CC[NH+]1CCC(NC(=O)C[N@@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)CC1 ZINC000856535966 1209714654 /nfs/dbraw/zinc/71/46/54/1209714654.db2.gz OCMMPJJRDLXYKW-ZWKOTPCHSA-N 2 2 373.501 0.437 10 0 FCAELP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3nc(=O)n(C)[nH]3)C2)ccn1 ZINC000856603583 1209717501 /nfs/dbraw/zinc/71/75/01/1209717501.db2.gz LTTINNVWFNEVEW-INIZCTEOSA-N 2 2 360.462 0.997 10 0 FCAELP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3nc(=O)n(C)[nH]3)C2)ccn1 ZINC000856603583 1209717506 /nfs/dbraw/zinc/71/75/06/1209717506.db2.gz LTTINNVWFNEVEW-INIZCTEOSA-N 2 2 360.462 0.997 10 0 FCAELP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)ccn1 ZINC000856603583 1209717511 /nfs/dbraw/zinc/71/75/11/1209717511.db2.gz LTTINNVWFNEVEW-INIZCTEOSA-N 2 2 360.462 0.997 10 0 FCAELP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)ccn1 ZINC000856603583 1209717513 /nfs/dbraw/zinc/71/75/13/1209717513.db2.gz LTTINNVWFNEVEW-INIZCTEOSA-N 2 2 360.462 0.997 10 0 FCAELP CN(C(=O)Cc1ccc(C(N)=O)nc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000859332880 1209817568 /nfs/dbraw/zinc/81/75/68/1209817568.db2.gz FUONYMXTYQJTIL-INIZCTEOSA-N 2 2 359.474 0.350 10 0 FCAELP CN(C(=O)Cc1ccc(C(N)=O)nc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000859332880 1209817570 /nfs/dbraw/zinc/81/75/70/1209817570.db2.gz FUONYMXTYQJTIL-INIZCTEOSA-N 2 2 359.474 0.350 10 0 FCAELP C[C@H](c1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1)N1CC[NH2+]CC1=O ZINC000863665646 1209947570 /nfs/dbraw/zinc/94/75/70/1209947570.db2.gz KXEWAGQYISSZSI-CYBMUJFWSA-N 2 2 371.445 0.376 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC000865686302 1209982284 /nfs/dbraw/zinc/98/22/84/1209982284.db2.gz AGBBMUFNJAIASA-HNNXBMFYSA-N 2 2 372.510 0.622 10 0 FCAELP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000866546304 1209997927 /nfs/dbraw/zinc/99/79/27/1209997927.db2.gz UOCSOPQCIXUZEZ-GJZGRUSLSA-N 2 2 370.494 0.374 10 0 FCAELP COc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866708700 1210002962 /nfs/dbraw/zinc/00/29/62/1210002962.db2.gz NVBRXKVIUNAIOQ-SMKXDYDZSA-N 2 2 374.441 0.889 10 0 FCAELP COc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866708700 1210002965 /nfs/dbraw/zinc/00/29/65/1210002965.db2.gz NVBRXKVIUNAIOQ-SMKXDYDZSA-N 2 2 374.441 0.889 10 0 FCAELP CC(C)[C@H](CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)[NH+]1CCOCC1 ZINC000868224137 1210044228 /nfs/dbraw/zinc/04/42/28/1210044228.db2.gz BBAQCEVMOUBBBI-KSZLIROESA-N 2 2 374.485 0.913 10 0 FCAELP O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000868276312 1210049014 /nfs/dbraw/zinc/04/90/14/1210049014.db2.gz PPJXHSRMLGCOMC-MJGOQNOKSA-N 2 2 369.469 0.862 10 0 FCAELP O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000868276312 1210049018 /nfs/dbraw/zinc/04/90/18/1210049018.db2.gz PPJXHSRMLGCOMC-MJGOQNOKSA-N 2 2 369.469 0.862 10 0 FCAELP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CCC[C@H]4[NH2+]CC[C@H]43)CC2)c1 ZINC000868420456 1210065365 /nfs/dbraw/zinc/06/53/65/1210065365.db2.gz WPJYPKPQRKSLRK-RTBURBONSA-N 2 2 370.497 0.992 10 0 FCAELP O=C(/C=C/C[NH+]1CCOCC1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000869241523 1210087517 /nfs/dbraw/zinc/08/75/17/1210087517.db2.gz HQIYIPKOGHTIAL-VQSDEBNRSA-N 2 2 359.470 0.758 10 0 FCAELP O=C(/C=C/C[NH+]1CCOCC1)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000869241523 1210087520 /nfs/dbraw/zinc/08/75/20/1210087520.db2.gz HQIYIPKOGHTIAL-VQSDEBNRSA-N 2 2 359.470 0.758 10 0 FCAELP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1C[NH+](C)C ZINC000870019621 1210099731 /nfs/dbraw/zinc/09/97/31/1210099731.db2.gz KXIJNOMPQOEAAC-LMMKCTJWSA-N 3 2 366.550 0.828 10 0 FCAELP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[C@H]1C[NH+](C)C ZINC000870019621 1210099733 /nfs/dbraw/zinc/09/97/33/1210099733.db2.gz KXIJNOMPQOEAAC-LMMKCTJWSA-N 3 2 366.550 0.828 10 0 FCAELP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)[C@H](c2ccccc2)C1 ZINC000872185639 1210174939 /nfs/dbraw/zinc/17/49/39/1210174939.db2.gz OYQVTSXTEVNJBQ-ABSDTBQOSA-N 2 2 356.470 0.570 10 0 FCAELP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)[C@H](c2ccccc2)C1 ZINC000872185639 1210174947 /nfs/dbraw/zinc/17/49/47/1210174947.db2.gz OYQVTSXTEVNJBQ-ABSDTBQOSA-N 2 2 356.470 0.570 10 0 FCAELP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C[C@H]1C(F)(F)F ZINC000872188446 1210175966 /nfs/dbraw/zinc/17/59/66/1210175966.db2.gz VYGWMJJKHCLZDD-QJPTWQEYSA-N 2 2 373.379 0.711 10 0 FCAELP COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C2 ZINC000876132417 1210403212 /nfs/dbraw/zinc/40/32/12/1210403212.db2.gz GQGDKWQJDMEHFZ-VCBZYWHSSA-N 2 2 366.506 0.996 10 0 FCAELP COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C2 ZINC000876132417 1210403214 /nfs/dbraw/zinc/40/32/14/1210403214.db2.gz GQGDKWQJDMEHFZ-VCBZYWHSSA-N 2 2 366.506 0.996 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C\C[NH2+]CC(=O)Nc1ccon1 ZINC001274377017 1211040189 /nfs/dbraw/zinc/04/01/89/1211040189.db2.gz DCCKSZBQQJIAFT-LLGAQUFESA-N 2 2 358.402 0.412 10 0 FCAELP CC(C)NC(=O)NCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001275935862 1211312422 /nfs/dbraw/zinc/31/24/22/1211312422.db2.gz DAEXKWISSIGBQL-RBSFLKMASA-N 2 2 364.494 0.668 10 0 FCAELP CC(C)NC(=O)NCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001275935862 1211312423 /nfs/dbraw/zinc/31/24/23/1211312423.db2.gz DAEXKWISSIGBQL-RBSFLKMASA-N 2 2 364.494 0.668 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)N[C@H](CC4CCOCC4)C3=O)C2)CC1 ZINC000924633708 1211475683 /nfs/dbraw/zinc/47/56/83/1211475683.db2.gz KAEIZRRYADCMPA-DLBZAZTESA-N 2 2 364.490 0.892 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)N[C@H](CC4CCOCC4)C3=O)C2)CC1 ZINC000924633708 1211475684 /nfs/dbraw/zinc/47/56/84/1211475684.db2.gz KAEIZRRYADCMPA-DLBZAZTESA-N 2 2 364.490 0.892 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](N3C(=O)N[C@@H](CCC4OCCO4)C3=O)C2)CC1 ZINC000924634841 1211475694 /nfs/dbraw/zinc/47/56/94/1211475694.db2.gz PFNRVNWDRMBGBL-CABCVRRESA-N 2 2 366.462 0.228 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](N3C(=O)N[C@@H](CCC4OCCO4)C3=O)C2)CC1 ZINC000924634841 1211475695 /nfs/dbraw/zinc/47/56/95/1211475695.db2.gz PFNRVNWDRMBGBL-CABCVRRESA-N 2 2 366.462 0.228 10 0 FCAELP c1nc(N2CCC[C@@H]([NH2+][C@@H]3CN4C[C@@H]3CCC4)C2)cc(N2CCOCC2)[nH+]1 ZINC000925397277 1211498864 /nfs/dbraw/zinc/49/88/64/1211498864.db2.gz PINFOBAXOFZOFU-RCCFBDPRSA-N 2 2 372.517 0.966 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)CC[C@@H]1C[NH3+] ZINC000926287334 1211526772 /nfs/dbraw/zinc/52/67/72/1211526772.db2.gz IWGAIXUWLKCFMJ-KBAYOESNSA-N 2 2 358.486 0.945 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC[C@@H]1C[NH3+] ZINC000926287334 1211526779 /nfs/dbraw/zinc/52/67/79/1211526779.db2.gz IWGAIXUWLKCFMJ-KBAYOESNSA-N 2 2 358.486 0.945 10 0 FCAELP CCO[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C[NH+](C)C ZINC000926842443 1211556824 /nfs/dbraw/zinc/55/68/24/1211556824.db2.gz SKVLVVTYGKJGBG-MSOLQXFVSA-N 3 2 369.554 0.763 10 0 FCAELP CCO[C@@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C[NH+](C)C ZINC000926842443 1211556831 /nfs/dbraw/zinc/55/68/31/1211556831.db2.gz SKVLVVTYGKJGBG-MSOLQXFVSA-N 3 2 369.554 0.763 10 0 FCAELP C[NH+](C)CC[C@@H](NC(=O)C(=O)NCCCn1cc[nH+]c1)c1cccnc1 ZINC000929101207 1211616805 /nfs/dbraw/zinc/61/68/05/1211616805.db2.gz ZBYQZLSISXCVSX-MRXNPFEDSA-N 2 2 358.446 0.594 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCC[C@@H]3C[C@H]3C3CC3)C2)CC1 ZINC000930176476 1211694029 /nfs/dbraw/zinc/69/40/29/1211694029.db2.gz XHFNUAUCHYAYHR-NUJGCVRESA-N 2 2 362.518 0.824 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCC[C@@H]3C[C@H]3C3CC3)C2)CC1 ZINC000930176476 1211694035 /nfs/dbraw/zinc/69/40/35/1211694035.db2.gz XHFNUAUCHYAYHR-NUJGCVRESA-N 2 2 362.518 0.824 10 0 FCAELP COC[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000930171966 1211694382 /nfs/dbraw/zinc/69/43/82/1211694382.db2.gz YAAQSFQMAGTWKH-CVEARBPZSA-N 2 2 368.522 0.306 10 0 FCAELP COC[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000930171966 1211694385 /nfs/dbraw/zinc/69/43/85/1211694385.db2.gz YAAQSFQMAGTWKH-CVEARBPZSA-N 2 2 368.522 0.306 10 0 FCAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933754914 1211847080 /nfs/dbraw/zinc/84/70/80/1211847080.db2.gz GPHJMETVNZUHLG-FTRWYGJKSA-N 2 2 371.485 0.706 10 0 FCAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933754914 1211847083 /nfs/dbraw/zinc/84/70/83/1211847083.db2.gz GPHJMETVNZUHLG-FTRWYGJKSA-N 2 2 371.485 0.706 10 0 FCAELP C[C@@H]1CN(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC[N@@H+]1CCO ZINC000778266796 1211867411 /nfs/dbraw/zinc/86/74/11/1211867411.db2.gz ZPPXSFNPXSQZOH-MRXNPFEDSA-N 2 2 361.490 0.969 10 0 FCAELP C[C@@H]1CN(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC[N@H+]1CCO ZINC000778266796 1211867413 /nfs/dbraw/zinc/86/74/13/1211867413.db2.gz ZPPXSFNPXSQZOH-MRXNPFEDSA-N 2 2 361.490 0.969 10 0 FCAELP C[C@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCn2cc[nH+]c2)C3)C1 ZINC001490839646 1211946486 /nfs/dbraw/zinc/94/64/86/1211946486.db2.gz NKKREEGUHODASW-HZMVEIRTSA-N 2 2 359.474 0.863 10 0 FCAELP C[C@H]1CC[N@@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCn2cc[nH+]c2)C3)C1 ZINC001490839646 1211946488 /nfs/dbraw/zinc/94/64/88/1211946488.db2.gz NKKREEGUHODASW-HZMVEIRTSA-N 2 2 359.474 0.863 10 0 FCAELP C/C(=C\C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)C[NH+]1CCOCC1 ZINC000900694269 1218025822 /nfs/dbraw/zinc/02/58/22/1218025822.db2.gz CRYNECRJXFQOEI-JQIJEIRASA-N 2 2 366.506 0.181 10 0 FCAELP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C[C@H]1C(F)(F)F ZINC000903750419 1218515734 /nfs/dbraw/zinc/51/57/34/1218515734.db2.gz JZOAJGNAPRRWQN-JHJVBQTASA-N 2 2 372.347 0.409 10 0 FCAELP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000903784653 1218525699 /nfs/dbraw/zinc/52/56/99/1218525699.db2.gz CZZGMSHXDOLVPF-HNNXBMFYSA-N 2 2 360.462 0.034 10 0 FCAELP COc1cc(N2CC[NH+](C[C@H](C[NH3+])Cc3cnn(C)c3C)CC2)ncn1 ZINC000903912741 1218563226 /nfs/dbraw/zinc/56/32/26/1218563226.db2.gz IRQNRSREYFQXFX-HNNXBMFYSA-N 2 2 359.478 0.467 10 0 FCAELP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCN3C(=O)N(CC(C)C)C[C@H]3C2)cnn1C ZINC000903918377 1218565102 /nfs/dbraw/zinc/56/51/02/1218565102.db2.gz XXWZKCUBVPMNSB-FUHWJXTLSA-N 2 2 362.522 0.924 10 0 FCAELP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCN3C(=O)N(CC(C)C)C[C@H]3C2)cnn1C ZINC000903918377 1218565112 /nfs/dbraw/zinc/56/51/12/1218565112.db2.gz XXWZKCUBVPMNSB-FUHWJXTLSA-N 2 2 362.522 0.924 10 0 FCAELP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000804059271 1219114810 /nfs/dbraw/zinc/11/48/10/1219114810.db2.gz YMVWURGVWSWHMS-CABCVRRESA-N 2 2 361.446 0.095 10 0 FCAELP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000804059271 1219114816 /nfs/dbraw/zinc/11/48/16/1219114816.db2.gz YMVWURGVWSWHMS-CABCVRRESA-N 2 2 361.446 0.095 10 0 FCAELP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000804059271 1219114821 /nfs/dbraw/zinc/11/48/21/1219114821.db2.gz YMVWURGVWSWHMS-CABCVRRESA-N 2 2 361.446 0.095 10 0 FCAELP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000804059271 1219114826 /nfs/dbraw/zinc/11/48/26/1219114826.db2.gz YMVWURGVWSWHMS-CABCVRRESA-N 2 2 361.446 0.095 10 0 FCAELP Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000783985239 1221227127 /nfs/dbraw/zinc/22/71/27/1221227127.db2.gz TZVPWGDLCWLPMQ-ZWKOTPCHSA-N 2 2 374.533 0.795 10 0 FCAELP Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000783985239 1221227130 /nfs/dbraw/zinc/22/71/30/1221227130.db2.gz TZVPWGDLCWLPMQ-ZWKOTPCHSA-N 2 2 374.533 0.795 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCC[NH+](C)C2)[C@@H]1c1ccc(F)cc1 ZINC001117485033 1221555466 /nfs/dbraw/zinc/55/54/66/1221555466.db2.gz IXBYWWDEGVJRGE-BBWFWOEESA-N 2 2 362.449 0.898 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCC[NH+](C)C2)[C@@H]1c1ccc(F)cc1 ZINC001117485033 1221555469 /nfs/dbraw/zinc/55/54/69/1221555469.db2.gz IXBYWWDEGVJRGE-BBWFWOEESA-N 2 2 362.449 0.898 10 0 FCAELP C[NH+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)[C@@H]1c1ccc(F)cc1 ZINC001117485033 1221555476 /nfs/dbraw/zinc/55/54/76/1221555476.db2.gz IXBYWWDEGVJRGE-BBWFWOEESA-N 2 2 362.449 0.898 10 0 FCAELP C[NH+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)[C@@H]1c1ccc(F)cc1 ZINC001117485033 1221555478 /nfs/dbraw/zinc/55/54/78/1221555478.db2.gz IXBYWWDEGVJRGE-BBWFWOEESA-N 2 2 362.449 0.898 10 0 FCAELP CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001118622999 1221809179 /nfs/dbraw/zinc/80/91/79/1221809179.db2.gz QEXTTYFPYFCKNG-INIZCTEOSA-N 2 2 357.458 0.840 10 0 FCAELP c1ncn(-c2cc(C[NH2+]C3CCN(CC[NH+]4CCOCC4)CC3)ccn2)n1 ZINC001119246790 1221892381 /nfs/dbraw/zinc/89/23/81/1221892381.db2.gz GXXGKBROGVKHBY-UHFFFAOYSA-N 2 2 371.489 0.549 10 0 FCAELP C[C@@H](CNC(=O)[C@]1([NH+](C)C)COc2ccccc2C1)C[NH+]1CCN(C)CC1 ZINC001123658708 1222347776 /nfs/dbraw/zinc/34/77/76/1222347776.db2.gz TYVMOHURMUSZIX-LAUBAEHRSA-N 2 2 374.529 0.922 10 0 FCAELP C[C@H]1C[N@H+](CCO)CCN1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000836240539 1222619906 /nfs/dbraw/zinc/61/99/06/1222619906.db2.gz HYECIWDGVYBGRR-INIZCTEOSA-N 2 2 361.490 0.969 10 0 FCAELP C[C@H]1C[N@@H+](CCO)CCN1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000836240539 1222619911 /nfs/dbraw/zinc/61/99/11/1222619911.db2.gz HYECIWDGVYBGRR-INIZCTEOSA-N 2 2 361.490 0.969 10 0 FCAELP COC(=O)[C@H]1CC[N@H+](CN2C(=O)[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000839966947 1222763670 /nfs/dbraw/zinc/76/36/70/1222763670.db2.gz BCUDCNPDWLESPN-YESZJQIVSA-N 2 2 371.437 0.556 10 0 FCAELP COC(=O)[C@H]1CC[N@@H+](CN2C(=O)[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000839966947 1222763674 /nfs/dbraw/zinc/76/36/74/1222763674.db2.gz BCUDCNPDWLESPN-YESZJQIVSA-N 2 2 371.437 0.556 10 0 FCAELP COC(=O)[C@H]1CC[NH+](CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000839966947 1222763680 /nfs/dbraw/zinc/76/36/80/1222763680.db2.gz BCUDCNPDWLESPN-YESZJQIVSA-N 2 2 371.437 0.556 10 0 FCAELP COC(=O)[C@H]1CC[NH+](CN2C(=O)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000839966947 1222763685 /nfs/dbraw/zinc/76/36/85/1222763685.db2.gz BCUDCNPDWLESPN-YESZJQIVSA-N 2 2 371.437 0.556 10 0 FCAELP CCCNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001276716384 1223960775 /nfs/dbraw/zinc/96/07/75/1223960775.db2.gz IRRWQUSSMQUFCO-QCODTGAPSA-N 2 2 359.474 0.344 10 0 FCAELP CCCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001276716384 1223960779 /nfs/dbraw/zinc/96/07/79/1223960779.db2.gz IRRWQUSSMQUFCO-QCODTGAPSA-N 2 2 359.474 0.344 10 0 FCAELP [NH3+][C@@]1(CO)CCC[N@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000923478832 1245723421 /nfs/dbraw/zinc/72/34/21/1245723421.db2.gz SMBFXUVHIIJIKP-IBGZPJMESA-N 2 2 364.465 0.650 10 0 FCAELP [NH3+][C@@]1(CO)CCC[N@@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000923478832 1245723429 /nfs/dbraw/zinc/72/34/29/1245723429.db2.gz SMBFXUVHIIJIKP-IBGZPJMESA-N 2 2 364.465 0.650 10 0 FCAELP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001515241509 1265480041 /nfs/dbraw/zinc/48/00/41/1265480041.db2.gz VXELEUIFWXJDHP-BZUAXINKSA-N 2 2 365.478 0.203 10 0 FCAELP CCN(C(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)[C@@H]1CC[N@H+](C)C1 ZINC001328279894 1265522192 /nfs/dbraw/zinc/52/21/92/1265522192.db2.gz ALLJOKXYIGGYEY-HZPDHXFCSA-N 2 2 361.490 0.754 10 0 FCAELP CCN(C(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC001328279894 1265522196 /nfs/dbraw/zinc/52/21/96/1265522196.db2.gz ALLJOKXYIGGYEY-HZPDHXFCSA-N 2 2 361.490 0.754 10 0 FCAELP O=C(NC1(CO)CC[NH+](CC[C@@H]2CCOC2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001328529952 1265571250 /nfs/dbraw/zinc/57/12/50/1265571250.db2.gz UHUXGLGPOHDRLC-BZUAXINKSA-N 2 2 362.474 0.883 10 0 FCAELP O=C(NC1(CO)CC[NH+](CC[C@@H]2CCOC2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001328529952 1265571254 /nfs/dbraw/zinc/57/12/54/1265571254.db2.gz UHUXGLGPOHDRLC-BZUAXINKSA-N 2 2 362.474 0.883 10 0 FCAELP CCn1nncc1C[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001328529594 1265571782 /nfs/dbraw/zinc/57/17/82/1265571782.db2.gz IRHPGNXEUJFKCE-GDBMZVCRSA-N 2 2 364.494 0.081 10 0 FCAELP CCn1nncc1C[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001328529594 1265571788 /nfs/dbraw/zinc/57/17/88/1265571788.db2.gz IRHPGNXEUJFKCE-GDBMZVCRSA-N 2 2 364.494 0.081 10 0 FCAELP C[C@H](CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)N1CC[NH+](C)CC1 ZINC001520035994 1265831757 /nfs/dbraw/zinc/83/17/57/1265831757.db2.gz GMUPQCZLUROLQD-DLBZAZTESA-N 3 2 356.559 0.194 10 0 FCAELP Cc1ccc(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)c(N(C)C)[nH+]1 ZINC001520245090 1265888291 /nfs/dbraw/zinc/88/82/91/1265888291.db2.gz UPRQPKDRFGZJNG-KBXCAEBGSA-N 2 2 363.462 0.803 10 0 FCAELP Cc1ccc(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)c(N(C)C)[nH+]1 ZINC001520245090 1265888294 /nfs/dbraw/zinc/88/82/94/1265888294.db2.gz UPRQPKDRFGZJNG-KBXCAEBGSA-N 2 2 363.462 0.803 10 0 FCAELP CC(C)[N@H+](C)CC(=O)N[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@@H]1C ZINC001520780246 1265997968 /nfs/dbraw/zinc/99/79/68/1265997968.db2.gz HJKOOYGLGMKAQB-HIFRSBDPSA-N 2 2 365.478 0.796 10 0 FCAELP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@@H]1C ZINC001520780246 1265997975 /nfs/dbraw/zinc/99/79/75/1265997975.db2.gz HJKOOYGLGMKAQB-HIFRSBDPSA-N 2 2 365.478 0.796 10 0 FCAELP C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[C@@H]1C[NH+](C)CCN1C ZINC001520994114 1266057954 /nfs/dbraw/zinc/05/79/54/1266057954.db2.gz CFXBZGZZXLMSEA-BBWFWOEESA-N 3 2 356.559 0.192 10 0 FCAELP C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[C@@H]1C[NH+](C)CCN1C ZINC001520994114 1266057963 /nfs/dbraw/zinc/05/79/63/1266057963.db2.gz CFXBZGZZXLMSEA-BBWFWOEESA-N 3 2 356.559 0.192 10 0 FCAELP C[C@@H](NC(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C)[C@@H]1C[N@@H+](C)CCN1C ZINC001520994114 1266057980 /nfs/dbraw/zinc/05/79/80/1266057980.db2.gz CFXBZGZZXLMSEA-BBWFWOEESA-N 3 2 356.559 0.192 10 0 FCAELP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H](C[NH2+]Cc1ncnn1C)C1CC1 ZINC001331323785 1266194018 /nfs/dbraw/zinc/19/40/18/1266194018.db2.gz HNDAMCGDPQMBIN-RBSFLKMASA-N 2 2 357.462 0.679 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)[C@H](C)C[NH2+]1 ZINC001331474778 1266222677 /nfs/dbraw/zinc/22/26/77/1266222677.db2.gz KZGBLFDIBHVSGK-BQGCOEIASA-N 2 2 362.449 0.896 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)[C@H](C)C[NH2+]1 ZINC001331474778 1266222688 /nfs/dbraw/zinc/22/26/88/1266222688.db2.gz KZGBLFDIBHVSGK-BQGCOEIASA-N 2 2 362.449 0.896 10 0 FCAELP CC[N@H+](C)CCC(=O)N1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001521939012 1266244292 /nfs/dbraw/zinc/24/42/92/1266244292.db2.gz JBJMHDGCHWQQLW-HZPDHXFCSA-N 2 2 363.506 0.905 10 0 FCAELP CC[N@@H+](C)CCC(=O)N1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001521939012 1266244298 /nfs/dbraw/zinc/24/42/98/1266244298.db2.gz JBJMHDGCHWQQLW-HZPDHXFCSA-N 2 2 363.506 0.905 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2nc(-c3ccoc3)no2)CC[N@@H+]1C ZINC001331713333 1266272225 /nfs/dbraw/zinc/27/22/25/1266272225.db2.gz ZNEUZVKADBCXBT-MRVWCRGKSA-N 2 2 363.418 0.237 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2nc(-c3ccoc3)no2)CC[N@H+]1C ZINC001331713333 1266272235 /nfs/dbraw/zinc/27/22/35/1266272235.db2.gz ZNEUZVKADBCXBT-MRVWCRGKSA-N 2 2 363.418 0.237 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)NCc1ccco1 ZINC001264167933 1260368154 /nfs/dbraw/zinc/36/81/54/1260368154.db2.gz GKTSVLBIJPIFOI-VYDXJSESSA-N 2 2 362.474 0.817 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)NCc1ccco1 ZINC001264167933 1260368165 /nfs/dbraw/zinc/36/81/65/1260368165.db2.gz GKTSVLBIJPIFOI-VYDXJSESSA-N 2 2 362.474 0.817 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)NCc1ccco1 ZINC001264167933 1260368172 /nfs/dbraw/zinc/36/81/72/1260368172.db2.gz GKTSVLBIJPIFOI-VYDXJSESSA-N 2 2 362.474 0.817 10 0 FCAELP 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0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc2nc(C(C)C)no2)CC[N@H+]1C ZINC001486278012 1263529206 /nfs/dbraw/zinc/52/92/06/1263529206.db2.gz LCYVZVHYBUFMQR-SOUVJXGZSA-N 2 2 367.494 0.832 10 0 FCAELP Cn1cc(C[NH2+]C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C)nn1 ZINC001486413797 1263538502 /nfs/dbraw/zinc/53/85/02/1263538502.db2.gz PFWRYNAZVQYKOG-FMKPAKJESA-N 2 2 359.478 0.973 10 0 FCAELP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]Cc1cc(=O)n2nccc2[nH]1 ZINC001318538958 1263584839 /nfs/dbraw/zinc/58/48/39/1263584839.db2.gz XLSIJSQSDWNJIU-MRVWCRGKSA-N 2 2 369.429 0.534 10 0 FCAELP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]Cc1cc(=O)n2nccc2[nH]1 ZINC001318538958 1263584848 /nfs/dbraw/zinc/58/48/48/1263584848.db2.gz XLSIJSQSDWNJIU-MRVWCRGKSA-N 2 2 369.429 0.534 10 0 FCAELP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCC(CC[NH2+]CCO)CC1 ZINC001495421859 1263818843 /nfs/dbraw/zinc/81/88/43/1263818843.db2.gz ICXNDKZXTSYIPG-MSOLQXFVSA-N 2 2 369.506 0.077 10 0 FCAELP Cc1cc(NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)no1 ZINC001495680429 1263831963 /nfs/dbraw/zinc/83/19/63/1263831963.db2.gz ASXKEWMYHZPDSI-RAIGVLPGSA-N 2 2 360.418 0.790 10 0 FCAELP Cc1cc(NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)no1 ZINC001495680429 1263831987 /nfs/dbraw/zinc/83/19/87/1263831987.db2.gz ASXKEWMYHZPDSI-RAIGVLPGSA-N 2 2 360.418 0.790 10 0 FCAELP CN(C)c1ccccc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001496996967 1263910291 /nfs/dbraw/zinc/91/02/91/1263910291.db2.gz DLHNRBZTDHSPDS-BZUAXINKSA-N 2 2 357.458 0.846 10 0 FCAELP CN(C)c1ccccc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001496996967 1263910294 /nfs/dbraw/zinc/91/02/94/1263910294.db2.gz DLHNRBZTDHSPDS-BZUAXINKSA-N 2 2 357.458 0.846 10 0 FCAELP O=C(NC/C=C\C[NH2+]C[C@@H]1CCS(=O)(=O)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001497601314 1263941932 /nfs/dbraw/zinc/94/19/32/1263941932.db2.gz KJXKDRVTSUITOQ-PCZSCAJFSA-N 2 2 352.460 0.210 10 0 FCAELP O=C(NC/C=C\C[NH2+]C[C@@H]1CCS(=O)(=O)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001497601314 1263941936 /nfs/dbraw/zinc/94/19/36/1263941936.db2.gz KJXKDRVTSUITOQ-PCZSCAJFSA-N 2 2 352.460 0.210 10 0 FCAELP C[C@H](C[NH2+]Cc1cccnc1)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001321595075 1264005078 /nfs/dbraw/zinc/00/50/78/1264005078.db2.gz RBNTZRVBRAIFAS-NXHRZFHOSA-N 2 2 362.474 0.556 10 0 FCAELP C[C@H]1COCC[C@H]1NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001321963140 1264113634 /nfs/dbraw/zinc/11/36/34/1264113634.db2.gz HDRBEZYOLQVHHK-WMLDXEAASA-N 2 2 366.506 0.202 10 0 FCAELP Cc1nnsc1C[NH2+]CCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001501494788 1264126450 /nfs/dbraw/zinc/12/64/50/1264126450.db2.gz DEYBDXMQIZBOOV-CHWSQXEVSA-N 2 2 364.475 0.294 10 0 FCAELP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001512420800 1264622397 /nfs/dbraw/zinc/62/23/97/1264622397.db2.gz MWFOSHUJYCHROJ-BZUAXINKSA-N 2 2 361.490 0.973 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21 ZINC001526278409 1266797418 /nfs/dbraw/zinc/79/74/18/1266797418.db2.gz FSTPNQQVMPEMKA-NPCUJANDSA-N 2 2 371.485 0.438 10 0 FCAELP CN(C1CC[NH+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1)S(C)(=O)=O ZINC001334057071 1266798300 /nfs/dbraw/zinc/79/83/00/1266798300.db2.gz WSTHVCKWEYWFMJ-AWEZNQCLSA-N 2 2 356.496 0.058 10 0 FCAELP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001513228672 1264975646 /nfs/dbraw/zinc/97/56/46/1264975646.db2.gz RPEOGYJYSYCJIG-KLHDSHLOSA-N 2 2 373.501 0.971 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(CCO)CC[NH2+]Cc1ccc(F)cn1 ZINC001326097100 1265056532 /nfs/dbraw/zinc/05/65/32/1265056532.db2.gz WLDJJQNGCMIRCP-HZPDHXFCSA-N 2 2 361.421 0.668 10 0 FCAELP CO[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001513389825 1265087201 /nfs/dbraw/zinc/08/72/01/1265087201.db2.gz YTNMVENKPDJYSL-FVQBIDKESA-N 2 2 363.462 0.026 10 0 FCAELP CO[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001513389825 1265087211 /nfs/dbraw/zinc/08/72/11/1265087211.db2.gz YTNMVENKPDJYSL-FVQBIDKESA-N 2 2 363.462 0.026 10 0 FCAELP CO[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001513389825 1265087219 /nfs/dbraw/zinc/08/72/19/1265087219.db2.gz YTNMVENKPDJYSL-FVQBIDKESA-N 2 2 363.462 0.026 10 0 FCAELP CO[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001513389825 1265087227 /nfs/dbraw/zinc/08/72/27/1265087227.db2.gz YTNMVENKPDJYSL-FVQBIDKESA-N 2 2 363.462 0.026 10 0 FCAELP CO[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001513403661 1265104099 /nfs/dbraw/zinc/10/40/99/1265104099.db2.gz FHQRMCAIFAZTIG-HZPDHXFCSA-N 2 2 365.478 0.335 10 0 FCAELP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001514418871 1265350810 /nfs/dbraw/zinc/35/08/10/1265350810.db2.gz BNSKSORGCUASNP-BZUAXINKSA-N 2 2 361.490 0.941 10 0 FCAELP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@@](CO)([NH2+]CC2CCOCC2)C1 ZINC001327568075 1265359946 /nfs/dbraw/zinc/35/99/46/1265359946.db2.gz BEYRNDBQIBFWPM-GPMSIDNRSA-N 2 2 362.474 0.883 10 0 FCAELP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@@](CO)([NH2+]CC2CCOCC2)C1 ZINC001327568075 1265359952 /nfs/dbraw/zinc/35/99/52/1265359952.db2.gz BEYRNDBQIBFWPM-GPMSIDNRSA-N 2 2 362.474 0.883 10 0 FCAELP CC(C)[N@H+](C)CC(=O)N1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001514749157 1265371780 /nfs/dbraw/zinc/37/17/80/1265371780.db2.gz XOECJHDFLDPGJR-ARFHVFGLSA-N 2 2 361.490 0.923 10 0 FCAELP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001514749157 1265371788 /nfs/dbraw/zinc/37/17/88/1265371788.db2.gz XOECJHDFLDPGJR-ARFHVFGLSA-N 2 2 361.490 0.923 10 0 FCAELP C[C@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2c[nH]c[nH+]2)C3)C1 ZINC001522287738 1266467557 /nfs/dbraw/zinc/46/75/57/1266467557.db2.gz XEFIVXKVCIKXEY-SVGFKBNWSA-N 2 2 359.474 0.932 10 0 FCAELP 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10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001333767557 1266705956 /nfs/dbraw/zinc/70/59/56/1266705956.db2.gz CTDKOEJKFPGOEG-QDIHITRGSA-N 2 2 361.490 0.876 10 0 FCAELP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NC[C@]3(CO)COCC4(CCC4)[NH+]3C)C[N@@H+]2C1 ZINC001528626696 1266983858 /nfs/dbraw/zinc/98/38/58/1266983858.db2.gz DSGTVSRWFNIVDI-WWNBULGVSA-N 2 2 365.518 0.839 10 0 FCAELP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NC[C@]3(CO)COCC4(CCC4)[NH+]3C)C[N@H+]2C1 ZINC001528626696 1266983863 /nfs/dbraw/zinc/98/38/63/1266983863.db2.gz DSGTVSRWFNIVDI-WWNBULGVSA-N 2 2 365.518 0.839 10 0 FCAELP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NC[C@]3(CO)COCC4(CCC4)[N@@H+]3C)C[NH+]2C1 ZINC001528626696 1266983870 /nfs/dbraw/zinc/98/38/70/1266983870.db2.gz DSGTVSRWFNIVDI-WWNBULGVSA-N 2 2 365.518 0.839 10 0 FCAELP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NC[C@]3(CO)COCC4(CCC4)[N@H+]3C)C[NH+]2C1 ZINC001528626696 1266983876 /nfs/dbraw/zinc/98/38/76/1266983876.db2.gz DSGTVSRWFNIVDI-WWNBULGVSA-N 2 2 365.518 0.839 10 0 FCAELP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NC[C@]3(CO)COCC4(CCC4)[NH+]3C)C[N@@H+]2C1 ZINC001528626698 1266983988 /nfs/dbraw/zinc/98/39/88/1266983988.db2.gz DSGTVSRWFNIVDI-YLAKUSLOSA-N 2 2 365.518 0.839 10 0 FCAELP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NC[C@]3(CO)COCC4(CCC4)[NH+]3C)C[N@H+]2C1 ZINC001528626698 1266983994 /nfs/dbraw/zinc/98/39/94/1266983994.db2.gz DSGTVSRWFNIVDI-YLAKUSLOSA-N 2 2 365.518 0.839 10 0 FCAELP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NC[C@]3(CO)COCC4(CCC4)[N@@H+]3C)C[NH+]2C1 ZINC001528626698 1266983998 /nfs/dbraw/zinc/98/39/98/1266983998.db2.gz DSGTVSRWFNIVDI-YLAKUSLOSA-N 2 2 365.518 0.839 10 0 FCAELP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NC[C@]3(CO)COCC4(CCC4)[N@H+]3C)C[NH+]2C1 ZINC001528626698 1266984004 /nfs/dbraw/zinc/98/40/04/1266984004.db2.gz DSGTVSRWFNIVDI-YLAKUSLOSA-N 2 2 365.518 0.839 10 0 FCAELP CCO[C@@H](CNC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)C[NH+](C)C ZINC001334841270 1267197340 /nfs/dbraw/zinc/19/73/40/1267197340.db2.gz PDWYWHQWQPYZST-DOTOQJQBSA-N 2 2 362.474 0.372 10 0 FCAELP 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MUKRZLPAZQYHEX-NHMWIVBRSA-N 2 2 359.474 0.503 10 0 FCAELP CC[C@@H](C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC001631839390 1282121409 /nfs/dbraw/zinc/12/14/09/1282121409.db2.gz VLZCNPSZRWJHTI-ZACQAIPSSA-N 2 2 368.522 0.579 10 0 FCAELP CC[C@@H](C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[N@H+]1CCO[C@H](CC)C1 ZINC001631839390 1282121422 /nfs/dbraw/zinc/12/14/22/1282121422.db2.gz VLZCNPSZRWJHTI-ZACQAIPSSA-N 2 2 368.522 0.579 10 0 FCAELP CC[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1CCO[C@H](CC)C1 ZINC001631839390 1282121437 /nfs/dbraw/zinc/12/14/37/1282121437.db2.gz VLZCNPSZRWJHTI-ZACQAIPSSA-N 2 2 368.522 0.579 10 0 FCAELP CC[C@@H](C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1CCO[C@H](CC)C1 ZINC001631839390 1282121451 /nfs/dbraw/zinc/12/14/51/1282121451.db2.gz VLZCNPSZRWJHTI-ZACQAIPSSA-N 2 2 368.522 0.579 10 0 FCAELP C[NH+](C)CCCC(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001681616683 1283500820 /nfs/dbraw/zinc/50/08/20/1283500820.db2.gz YSMOXTCWLKZGAX-HUUCEWRRSA-N 2 2 359.474 0.916 10 0 FCAELP C[NH+](C)CCCC(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001681616683 1283500829 /nfs/dbraw/zinc/50/08/29/1283500829.db2.gz YSMOXTCWLKZGAX-HUUCEWRRSA-N 2 2 359.474 0.916 10 0 FCAELP C[NH+](C)CCC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001702555030 1285722894 /nfs/dbraw/zinc/72/28/94/1285722894.db2.gz SPDYLDOENDFYAY-HRCADAONSA-N 2 2 361.490 0.798 10 0 FCAELP CCO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001702576992 1285743330 /nfs/dbraw/zinc/74/33/30/1285743330.db2.gz XPTFGWIHFCGLMC-GDBMZVCRSA-N 2 2 365.478 0.192 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001702722299 1285821435 /nfs/dbraw/zinc/82/14/35/1285821435.db2.gz UFPVUSGIIFBAKS-ZBFHGGJFSA-N 2 2 363.462 0.100 10 0 FCAELP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001702777750 1285855467 /nfs/dbraw/zinc/85/54/67/1285855467.db2.gz NJLHKYCOOQANIM-BEFAXECRSA-N 2 2 361.490 0.611 10 0 FCAELP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001702801903 1285886215 /nfs/dbraw/zinc/88/62/15/1285886215.db2.gz VHJJUNQAJAPLLG-HUUCEWRRSA-N 2 2 361.490 0.895 10 0 FCAELP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001702801903 1285886223 /nfs/dbraw/zinc/88/62/23/1285886223.db2.gz VHJJUNQAJAPLLG-HUUCEWRRSA-N 2 2 361.490 0.895 10 0 FCAELP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001702807960 1285898027 /nfs/dbraw/zinc/89/80/27/1285898027.db2.gz RAJITKVCNAWYTD-BZUAXINKSA-N 2 2 361.490 0.895 10 0 FCAELP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001702807960 1285898039 /nfs/dbraw/zinc/89/80/39/1285898039.db2.gz RAJITKVCNAWYTD-BZUAXINKSA-N 2 2 361.490 0.895 10 0 FCAELP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001702807960 1285898048 /nfs/dbraw/zinc/89/80/48/1285898048.db2.gz RAJITKVCNAWYTD-BZUAXINKSA-N 2 2 361.490 0.895 10 0 FCAELP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001702807960 1285898055 /nfs/dbraw/zinc/89/80/55/1285898055.db2.gz RAJITKVCNAWYTD-BZUAXINKSA-N 2 2 361.490 0.895 10 0 FCAELP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001702807961 1285898943 /nfs/dbraw/zinc/89/89/43/1285898943.db2.gz RAJITKVCNAWYTD-OWCLPIDISA-N 2 2 361.490 0.895 10 0 FCAELP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001702807961 1285898954 /nfs/dbraw/zinc/89/89/54/1285898954.db2.gz RAJITKVCNAWYTD-OWCLPIDISA-N 2 2 361.490 0.895 10 0 FCAELP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001702807961 1285898960 /nfs/dbraw/zinc/89/89/60/1285898960.db2.gz RAJITKVCNAWYTD-OWCLPIDISA-N 2 2 361.490 0.895 10 0 FCAELP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001702807961 1285898972 /nfs/dbraw/zinc/89/89/72/1285898972.db2.gz RAJITKVCNAWYTD-OWCLPIDISA-N 2 2 361.490 0.895 10 0 FCAELP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001702814743 1285906875 /nfs/dbraw/zinc/90/68/75/1285906875.db2.gz WEASUAXHAQCFIY-IAGOWNOFSA-N 2 2 361.490 0.826 10 0 FCAELP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC001702848198 1285940931 /nfs/dbraw/zinc/94/09/31/1285940931.db2.gz DWIVRDQSGKEYCB-HUUCEWRRSA-N 2 2 359.474 0.649 10 0 FCAELP C[NH+](C)CC1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2c[nH]c[nH+]2)C3)CC1 ZINC001702990043 1286040344 /nfs/dbraw/zinc/04/03/44/1286040344.db2.gz PNDIWNDCXLNUKE-OAGGEKHMSA-N 2 2 359.474 0.932 10 0 FCAELP C[NH+](C)CC1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2c[nH+]c[nH]2)C3)CC1 ZINC001702990043 1286040347 /nfs/dbraw/zinc/04/03/47/1286040347.db2.gz PNDIWNDCXLNUKE-OAGGEKHMSA-N 2 2 359.474 0.932 10 0 FCAELP CN(C(=O)CCC[NH+](C)C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001703479528 1286112398 /nfs/dbraw/zinc/11/23/98/1286112398.db2.gz ORLGXRJJXHUZQL-BZUAXINKSA-N 2 2 361.490 0.925 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCCCN(C)C(=O)C(C)(C)[NH+]2CCOCC2)CC[N@@H+]1C ZINC001703588923 1286120646 /nfs/dbraw/zinc/12/06/46/1286120646.db2.gz UYRJZWWRSWJLRP-HZPDHXFCSA-N 2 2 368.522 0.402 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCCCN(C)C(=O)C(C)(C)[NH+]2CCOCC2)CC[N@H+]1C ZINC001703588923 1286120650 /nfs/dbraw/zinc/12/06/50/1286120650.db2.gz UYRJZWWRSWJLRP-HZPDHXFCSA-N 2 2 368.522 0.402 10 0 FCAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001705118775 1286352675 /nfs/dbraw/zinc/35/26/75/1286352675.db2.gz JNDBERNXDGVKDK-NXHRZFHOSA-N 2 2 369.469 0.849 10 0 FCAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001705118775 1286352678 /nfs/dbraw/zinc/35/26/78/1286352678.db2.gz JNDBERNXDGVKDK-NXHRZFHOSA-N 2 2 369.469 0.849 10 0 FCAELP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NCC#N)C[C@H]2c2ccccc2)C1 ZINC001707096252 1286440154 /nfs/dbraw/zinc/44/01/54/1286440154.db2.gz LVKNMLPPXHAYET-FGTMMUONSA-N 2 2 369.469 0.162 10 0 FCAELP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NCC#N)C[C@H]2c2ccccc2)C1 ZINC001707096252 1286440158 /nfs/dbraw/zinc/44/01/58/1286440158.db2.gz LVKNMLPPXHAYET-FGTMMUONSA-N 2 2 369.469 0.162 10 0 FCAELP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NCC#N)C[C@H]2c2ccccc2)C1 ZINC001707096252 1286440161 /nfs/dbraw/zinc/44/01/61/1286440161.db2.gz LVKNMLPPXHAYET-FGTMMUONSA-N 2 2 369.469 0.162 10 0 FCAELP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]2c2ccccc2)C1 ZINC001707096252 1286440163 /nfs/dbraw/zinc/44/01/63/1286440163.db2.gz LVKNMLPPXHAYET-FGTMMUONSA-N 2 2 369.469 0.162 10 0 FCAELP C[C@@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1cn2c([nH+]1)CCCC2)C(N)=O ZINC001707156138 1286479173 /nfs/dbraw/zinc/47/91/73/1286479173.db2.gz CQUWQBKQEVDQQW-FMKPAKJESA-N 2 2 361.490 0.852 10 0 FCAELP COc1cc[nH+]cc1CC(=O)N1C[C@@H]2C[N@@H+](CCOCCO)CC[C@@H]2C1 ZINC001707217660 1287053145 /nfs/dbraw/zinc/05/31/45/1287053145.db2.gz NBMKXXOCKKAEKE-WBVHZDCISA-N 2 2 363.458 0.422 10 0 FCAELP COc1cc[nH+]cc1CC(=O)N1C[C@@H]2C[N@H+](CCOCCO)CC[C@@H]2C1 ZINC001707217660 1287053155 /nfs/dbraw/zinc/05/31/55/1287053155.db2.gz NBMKXXOCKKAEKE-WBVHZDCISA-N 2 2 363.458 0.422 10 0 FCAELP CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001707227378 1287076364 /nfs/dbraw/zinc/07/63/64/1287076364.db2.gz UVPCEFIHQPXDLC-BBWFWOEESA-N 2 2 361.490 0.824 10 0 FCAELP CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001707227378 1287076374 /nfs/dbraw/zinc/07/63/74/1287076374.db2.gz UVPCEFIHQPXDLC-BBWFWOEESA-N 2 2 361.490 0.824 10 0 FCAELP CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC001707264257 1287120544 /nfs/dbraw/zinc/12/05/44/1287120544.db2.gz KDJBKAZFZLGVTJ-HIFRSBDPSA-N 2 2 367.494 0.141 10 0 FCAELP CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC001707264257 1287120549 /nfs/dbraw/zinc/12/05/49/1287120549.db2.gz KDJBKAZFZLGVTJ-HIFRSBDPSA-N 2 2 367.494 0.141 10 0 FCAELP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NCc2ccco2)[C@@H]1C ZINC001707265474 1287123750 /nfs/dbraw/zinc/12/37/50/1287123750.db2.gz QOESASXWXAGKNP-ZBFHGGJFSA-N 2 2 350.463 0.817 10 0 FCAELP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NCc2ccco2)[C@@H]1C ZINC001707265474 1287123758 /nfs/dbraw/zinc/12/37/58/1287123758.db2.gz QOESASXWXAGKNP-ZBFHGGJFSA-N 2 2 350.463 0.817 10 0 FCAELP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)NCc2ccco2)[C@@H]1C ZINC001707265474 1287123763 /nfs/dbraw/zinc/12/37/63/1287123763.db2.gz QOESASXWXAGKNP-ZBFHGGJFSA-N 2 2 350.463 0.817 10 0 FCAELP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCc2ccco2)[C@@H]1C ZINC001707265474 1287123768 /nfs/dbraw/zinc/12/37/68/1287123768.db2.gz QOESASXWXAGKNP-ZBFHGGJFSA-N 2 2 350.463 0.817 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)NC(=O)NC(C)(C)C ZINC001707265968 1287125275 /nfs/dbraw/zinc/12/52/75/1287125275.db2.gz CROKOWVQPMBQEK-MCIONIFRSA-N 2 2 367.494 0.141 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)NC(=O)NC(C)(C)C ZINC001707265968 1287125282 /nfs/dbraw/zinc/12/52/82/1287125282.db2.gz CROKOWVQPMBQEK-MCIONIFRSA-N 2 2 367.494 0.141 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)NC(=O)NC(C)(C)C ZINC001707265968 1287125285 /nfs/dbraw/zinc/12/52/85/1287125285.db2.gz CROKOWVQPMBQEK-MCIONIFRSA-N 2 2 367.494 0.141 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)NC(=O)NC(C)(C)C ZINC001707265968 1287125288 /nfs/dbraw/zinc/12/52/88/1287125288.db2.gz CROKOWVQPMBQEK-MCIONIFRSA-N 2 2 367.494 0.141 10 0 FCAELP CC[N@H+](C)CCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001719501102 1288153850 /nfs/dbraw/zinc/15/38/50/1288153850.db2.gz ZMQKZRBDYOLSLZ-IXDOHACOSA-N 2 2 368.522 0.402 10 0 FCAELP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001719501102 1288153852 /nfs/dbraw/zinc/15/38/52/1288153852.db2.gz ZMQKZRBDYOLSLZ-IXDOHACOSA-N 2 2 368.522 0.402 10 0 FCAELP CC[NH+](C)CCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001719501102 1288153856 /nfs/dbraw/zinc/15/38/56/1288153856.db2.gz ZMQKZRBDYOLSLZ-IXDOHACOSA-N 2 2 368.522 0.402 10 0 FCAELP CC[NH+](C)CCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001719501102 1288153859 /nfs/dbraw/zinc/15/38/59/1288153859.db2.gz ZMQKZRBDYOLSLZ-IXDOHACOSA-N 2 2 368.522 0.402 10 0 FCAELP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1c[nH+]c[nH]1 ZINC001719901512 1288199645 /nfs/dbraw/zinc/19/96/45/1288199645.db2.gz ZJAGIAMNYLEIHU-QXSJWSMHSA-N 2 2 365.453 0.880 10 0 FCAELP C[NH+](C)CCC(=O)N[C@@H]1CC12CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001720715012 1288256533 /nfs/dbraw/zinc/25/65/33/1288256533.db2.gz WQZBEJAPICOMMZ-IIAWOOMASA-N 2 2 359.474 0.962 10 0 FCAELP C[NH+](C)CCC(=O)N[C@@H]1CC12CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC001720715012 1288256534 /nfs/dbraw/zinc/25/65/34/1288256534.db2.gz WQZBEJAPICOMMZ-IIAWOOMASA-N 2 2 359.474 0.962 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC(=O)NC2CC2)C1 ZINC001724247883 1288434643 /nfs/dbraw/zinc/43/46/43/1288434643.db2.gz BCITVXPBUMBSRT-SPYBWZPUSA-N 2 2 359.474 0.630 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[NH+](Cc3ncc(C)cn3)C2)CC[N@@H+]1C ZINC001724397358 1288438421 /nfs/dbraw/zinc/43/84/21/1288438421.db2.gz ORPPNWLAIPYSNF-FRQCXROJSA-N 2 2 361.490 0.568 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[NH+](Cc3ncc(C)cn3)C2)CC[N@H+]1C ZINC001724397358 1288438423 /nfs/dbraw/zinc/43/84/23/1288438423.db2.gz ORPPNWLAIPYSNF-FRQCXROJSA-N 2 2 361.490 0.568 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[N@H+](Cc3ncc(C)cn3)C2)CC[NH+]1C ZINC001724397358 1288438425 /nfs/dbraw/zinc/43/84/25/1288438425.db2.gz ORPPNWLAIPYSNF-FRQCXROJSA-N 2 2 361.490 0.568 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](Cc3ncc(C)cn3)C2)CC[NH+]1C ZINC001724397358 1288438428 /nfs/dbraw/zinc/43/84/28/1288438428.db2.gz ORPPNWLAIPYSNF-FRQCXROJSA-N 2 2 361.490 0.568 10 0 FCAELP Cc1nccnc1C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001724416452 1288441929 /nfs/dbraw/zinc/44/19/29/1288441929.db2.gz IBXRPOTYKQDZNE-SPYBWZPUSA-N 2 2 370.457 0.375 10 0 FCAELP Cc1nccnc1C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001724416452 1288441946 /nfs/dbraw/zinc/44/19/46/1288441946.db2.gz IBXRPOTYKQDZNE-SPYBWZPUSA-N 2 2 370.457 0.375 10 0 FCAELP O=C(C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)NCC1CC1 ZINC001724712388 1288448376 /nfs/dbraw/zinc/44/83/76/1288448376.db2.gz RNFHFECNAKTYHM-BZUAXINKSA-N 2 2 359.474 0.868 10 0 FCAELP O=C(C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)NCC1CC1 ZINC001724712388 1288448385 /nfs/dbraw/zinc/44/83/85/1288448385.db2.gz RNFHFECNAKTYHM-BZUAXINKSA-N 2 2 359.474 0.868 10 0 FCAELP CN(C[C@@H](O)C[N@H+](C)CCc1cnn(C)c1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001725720547 1288473831 /nfs/dbraw/zinc/47/38/31/1288473831.db2.gz ZGPAWRXYQCQQDD-ARFHVFGLSA-N 2 2 360.462 0.241 10 0 FCAELP CN(C[C@@H](O)C[N@@H+](C)CCc1cnn(C)c1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001725720547 1288473834 /nfs/dbraw/zinc/47/38/34/1288473834.db2.gz ZGPAWRXYQCQQDD-ARFHVFGLSA-N 2 2 360.462 0.241 10 0 FCAELP CN(C[C@@H](O)C[N@H+](C)CCc1cnn(C)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001725720547 1288473840 /nfs/dbraw/zinc/47/38/40/1288473840.db2.gz ZGPAWRXYQCQQDD-ARFHVFGLSA-N 2 2 360.462 0.241 10 0 FCAELP CN(C[C@@H](O)C[N@@H+](C)CCc1cnn(C)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001725720547 1288473843 /nfs/dbraw/zinc/47/38/43/1288473843.db2.gz ZGPAWRXYQCQQDD-ARFHVFGLSA-N 2 2 360.462 0.241 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCC2CC(NC(=O)CCc3[nH+]ccn3C)C2)CC[N@@H+]1C ZINC001725882258 1288477718 /nfs/dbraw/zinc/47/77/18/1288477718.db2.gz ZKLVCSBPYXRMOP-PRLABOORSA-N 2 2 361.490 0.704 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCC2CC(NC(=O)CCc3[nH+]ccn3C)C2)CC[N@H+]1C ZINC001725882258 1288477727 /nfs/dbraw/zinc/47/77/27/1288477727.db2.gz ZKLVCSBPYXRMOP-PRLABOORSA-N 2 2 361.490 0.704 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]([NH2+]CCN1CCCC1=O)C1CC1 ZINC001731403411 1288555420 /nfs/dbraw/zinc/55/54/20/1288555420.db2.gz AWGMBDRWEFUYJV-OAGGEKHMSA-N 2 2 359.474 0.630 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC2C[NH+](CCCNC(=O)C(F)(F)F)C2)CC[N@@H+]1C ZINC001732101597 1288575387 /nfs/dbraw/zinc/57/53/87/1288575387.db2.gz OUBZPIPURKXZHD-QWHCGFSZSA-N 2 2 364.412 0.586 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC2C[NH+](CCCNC(=O)C(F)(F)F)C2)CC[N@H+]1C ZINC001732101597 1288575389 /nfs/dbraw/zinc/57/53/89/1288575389.db2.gz OUBZPIPURKXZHD-QWHCGFSZSA-N 2 2 364.412 0.586 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[NH+](CC(=O)NC(=O)NC)C2)CC[N@@H+]1C ZINC001732184461 1288577791 /nfs/dbraw/zinc/57/77/91/1288577791.db2.gz VGHDXFWHAODMTK-SOUVJXGZSA-N 2 2 367.494 0.095 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[NH+](CC(=O)NC(=O)NC)C2)CC[N@H+]1C ZINC001732184461 1288577795 /nfs/dbraw/zinc/57/77/95/1288577795.db2.gz VGHDXFWHAODMTK-SOUVJXGZSA-N 2 2 367.494 0.095 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@H+](CC(=O)NC(=O)NC)C2)CC[NH+]1C ZINC001732184461 1288577800 /nfs/dbraw/zinc/57/78/00/1288577800.db2.gz VGHDXFWHAODMTK-SOUVJXGZSA-N 2 2 367.494 0.095 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@@H+](CC(=O)NC(=O)NC)C2)CC[NH+]1C ZINC001732184461 1288577802 /nfs/dbraw/zinc/57/78/02/1288577802.db2.gz VGHDXFWHAODMTK-SOUVJXGZSA-N 2 2 367.494 0.095 10 0 FCAELP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001732198357 1288578767 /nfs/dbraw/zinc/57/87/67/1288578767.db2.gz HXCLMWOIQPNIPH-HZSPNIEDSA-N 2 2 351.499 0.753 10 0 FCAELP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001732198357 1288578769 /nfs/dbraw/zinc/57/87/69/1288578769.db2.gz HXCLMWOIQPNIPH-HZSPNIEDSA-N 2 2 351.499 0.753 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCC[NH+](Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001733461166 1288611362 /nfs/dbraw/zinc/61/13/62/1288611362.db2.gz ZVROPEBIFXWDRO-HBUWYVDXSA-N 2 2 364.494 0.167 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCC[NH+](Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC001733461166 1288611366 /nfs/dbraw/zinc/61/13/66/1288611366.db2.gz ZVROPEBIFXWDRO-HBUWYVDXSA-N 2 2 364.494 0.167 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)CC[NH+]1C ZINC001733461166 1288611369 /nfs/dbraw/zinc/61/13/69/1288611369.db2.gz ZVROPEBIFXWDRO-HBUWYVDXSA-N 2 2 364.494 0.167 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)CC[NH+]1C ZINC001733461166 1288611372 /nfs/dbraw/zinc/61/13/72/1288611372.db2.gz ZVROPEBIFXWDRO-HBUWYVDXSA-N 2 2 364.494 0.167 10 0 FCAELP C[C@@H](O)CCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCOCC1 ZINC001733469772 1288612318 /nfs/dbraw/zinc/61/23/18/1288612318.db2.gz QCLTZCZGCBYNIU-BZUAXINKSA-N 2 2 364.490 0.940 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@@]2(CO)CCC[NH+](Cc3cncs3)C2)CC[N@@H+]1C ZINC001733588171 1288623055 /nfs/dbraw/zinc/62/30/55/1288623055.db2.gz JVCHMZAQYJBCTO-UNEWFSDZSA-N 2 2 352.504 0.926 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@@]2(CO)CCC[NH+](Cc3cncs3)C2)CC[N@H+]1C ZINC001733588171 1288623057 /nfs/dbraw/zinc/62/30/57/1288623057.db2.gz JVCHMZAQYJBCTO-UNEWFSDZSA-N 2 2 352.504 0.926 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@@]2(CO)CCC[N@H+](Cc3cncs3)C2)CC[NH+]1C ZINC001733588171 1288623059 /nfs/dbraw/zinc/62/30/59/1288623059.db2.gz JVCHMZAQYJBCTO-UNEWFSDZSA-N 2 2 352.504 0.926 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@@]2(CO)CCC[N@@H+](Cc3cncs3)C2)CC[NH+]1C ZINC001733588171 1288623064 /nfs/dbraw/zinc/62/30/64/1288623064.db2.gz JVCHMZAQYJBCTO-UNEWFSDZSA-N 2 2 352.504 0.926 10 0 FCAELP CC(C)OCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001733822085 1288631331 /nfs/dbraw/zinc/63/13/31/1288631331.db2.gz IQVGMIYYWUSMHI-MDZRGWNJSA-N 2 2 364.490 0.892 10 0 FCAELP Cc1nnc([C@@H](C)[N@H+](C)CCOCCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[nH]1 ZINC001734277926 1288646857 /nfs/dbraw/zinc/64/68/57/1288646857.db2.gz LMVPVUCTEWSNSW-UMVBOHGHSA-N 2 2 352.483 0.579 10 0 FCAELP Cc1nnc([C@@H](C)[N@@H+](C)CCOCCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[nH]1 ZINC001734277926 1288646863 /nfs/dbraw/zinc/64/68/63/1288646863.db2.gz LMVPVUCTEWSNSW-UMVBOHGHSA-N 2 2 352.483 0.579 10 0 FCAELP Cc1nnc([C@@H](C)[NH+](C)CCOCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[nH]1 ZINC001734277926 1288646867 /nfs/dbraw/zinc/64/68/67/1288646867.db2.gz LMVPVUCTEWSNSW-UMVBOHGHSA-N 2 2 352.483 0.579 10 0 FCAELP Cc1nnc([C@@H](C)[NH+](C)CCOCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[nH]1 ZINC001734277926 1288646872 /nfs/dbraw/zinc/64/68/72/1288646872.db2.gz LMVPVUCTEWSNSW-UMVBOHGHSA-N 2 2 352.483 0.579 10 0 FCAELP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001735706255 1288780228 /nfs/dbraw/zinc/78/02/28/1288780228.db2.gz BTERVGQJCQSNOC-HLLBOEOZSA-N 2 2 361.490 0.989 10 0 FCAELP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001735706255 1288780232 /nfs/dbraw/zinc/78/02/32/1288780232.db2.gz BTERVGQJCQSNOC-HLLBOEOZSA-N 2 2 361.490 0.989 10 0 FCAELP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001735706255 1288780236 /nfs/dbraw/zinc/78/02/36/1288780236.db2.gz BTERVGQJCQSNOC-HLLBOEOZSA-N 2 2 361.490 0.989 10 0 FCAELP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001735706255 1288780240 /nfs/dbraw/zinc/78/02/40/1288780240.db2.gz BTERVGQJCQSNOC-HLLBOEOZSA-N 2 2 361.490 0.989 10 0 FCAELP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001735706725 1288780988 /nfs/dbraw/zinc/78/09/88/1288780988.db2.gz LSUPPDKPSOZWCK-YQQAZPJKSA-N 2 2 361.490 0.988 10 0 FCAELP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001735706725 1288780994 /nfs/dbraw/zinc/78/09/94/1288780994.db2.gz LSUPPDKPSOZWCK-YQQAZPJKSA-N 2 2 361.490 0.988 10 0 FCAELP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001736362672 1289282202 /nfs/dbraw/zinc/28/22/02/1289282202.db2.gz GEXGAGSTBDYTJZ-CZUORRHYSA-N 2 2 358.446 0.607 10 0 FCAELP 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C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCC[C@]3(CCOC3)O2)CC1 ZINC001168331413 850582743 /nfs/dbraw/zinc/58/27/43/850582743.db2.gz FYUZUGGBKKGOFM-YQVWRLOYSA-N 2 2 351.491 0.953 10 0 FCAELP CN(C[C@H](O)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1)CC(F)(F)F ZINC001190829130 851968992 /nfs/dbraw/zinc/96/89/92/851968992.db2.gz ZSPWFURHOCUWNL-AWEZNQCLSA-N 2 2 366.428 0.081 10 0 FCAELP CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001263583810 859180356 /nfs/dbraw/zinc/18/03/56/859180356.db2.gz MPTKHSMVKIIGQK-MUQADHOPSA-N 2 2 356.463 0.519 10 0 FCAELP CO[C@@H]1C[N@@H+](C)[C@@](C)(COC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001263583810 859180364 /nfs/dbraw/zinc/18/03/64/859180364.db2.gz MPTKHSMVKIIGQK-MUQADHOPSA-N 2 2 356.463 0.519 10 0 FCAELP O=C(NC[C@H]1CC[C@@H]([NH2+]CCCO)C1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001263917137 859240311 /nfs/dbraw/zinc/24/03/11/859240311.db2.gz STPMPNLDMVFHQG-JZXOWHBKSA-N 2 2 353.507 0.887 10 0 FCAELP 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ZINC001264165936 859337776 /nfs/dbraw/zinc/33/77/76/859337776.db2.gz SRCXKQCKUMMMJE-CJNGLKHVSA-N 2 2 350.467 0.005 10 0 FCAELP CCS(=O)(=O)CCC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001264711882 859433163 /nfs/dbraw/zinc/43/31/63/859433163.db2.gz PLUXWXWCHYNUTH-CABCVRRESA-N 2 2 356.492 0.595 10 0 FCAELP CCS(=O)(=O)CCC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001264711882 859433164 /nfs/dbraw/zinc/43/31/64/859433164.db2.gz PLUXWXWCHYNUTH-CABCVRRESA-N 2 2 356.492 0.595 10 0 FCAELP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCS(C)(=O)=O)[C@@H]1C ZINC001264733736 859446418 /nfs/dbraw/zinc/44/64/18/859446418.db2.gz MYBGZVUGIODAHJ-OWCLPIDISA-N 2 2 359.536 0.875 10 0 FCAELP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCS(C)(=O)=O)[C@@H]1C ZINC001264733736 859446421 /nfs/dbraw/zinc/44/64/21/859446421.db2.gz MYBGZVUGIODAHJ-OWCLPIDISA-N 2 2 359.536 0.875 10 0 FCAELP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCCS(C)(=O)=O)[C@@H]1C ZINC001264733736 859446424 /nfs/dbraw/zinc/44/64/24/859446424.db2.gz MYBGZVUGIODAHJ-OWCLPIDISA-N 2 2 359.536 0.875 10 0 FCAELP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCCS(C)(=O)=O)[C@@H]1C ZINC001264733736 859446429 /nfs/dbraw/zinc/44/64/29/859446429.db2.gz MYBGZVUGIODAHJ-OWCLPIDISA-N 2 2 359.536 0.875 10 0 FCAELP CCOCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001267724057 859515517 /nfs/dbraw/zinc/51/55/17/859515517.db2.gz PHNIJDHCAPGZEV-HRCADAONSA-N 2 2 354.495 0.060 10 0 FCAELP CCOCCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001267724057 859515528 /nfs/dbraw/zinc/51/55/28/859515528.db2.gz PHNIJDHCAPGZEV-HRCADAONSA-N 2 2 354.495 0.060 10 0 FCAELP CCOCCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001267724057 859515542 /nfs/dbraw/zinc/51/55/42/859515542.db2.gz PHNIJDHCAPGZEV-HRCADAONSA-N 2 2 354.495 0.060 10 0 FCAELP CCOCCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001267724057 859515549 /nfs/dbraw/zinc/51/55/49/859515549.db2.gz PHNIJDHCAPGZEV-HRCADAONSA-N 2 2 354.495 0.060 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C\C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001268592969 859536206 /nfs/dbraw/zinc/53/62/06/859536206.db2.gz NIPPCBZKRQYVRI-LWXBCBKMSA-N 2 2 366.487 0.220 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+](C)CC(=O)Nc2nncs2)CC[N@@H+]1C ZINC001268730972 859538265 /nfs/dbraw/zinc/53/82/65/859538265.db2.gz KUGUKIBKYOTHIF-RWMBFGLXSA-N 2 2 368.507 0.643 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+](C)CC(=O)Nc2nncs2)CC[N@H+]1C ZINC001268730972 859538270 /nfs/dbraw/zinc/53/82/70/859538270.db2.gz KUGUKIBKYOTHIF-RWMBFGLXSA-N 2 2 368.507 0.643 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CC(=O)Nc2nncs2)CC[NH+]1C ZINC001268730972 859538274 /nfs/dbraw/zinc/53/82/74/859538274.db2.gz KUGUKIBKYOTHIF-RWMBFGLXSA-N 2 2 368.507 0.643 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)Nc2nncs2)CC[NH+]1C ZINC001268730972 859538276 /nfs/dbraw/zinc/53/82/76/859538276.db2.gz KUGUKIBKYOTHIF-RWMBFGLXSA-N 2 2 368.507 0.643 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001282371343 864228902 /nfs/dbraw/zinc/22/89/02/864228902.db2.gz KFEVQOVUPIJIMG-OWCLPIDISA-N 2 2 354.495 0.155 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001282371343 864228915 /nfs/dbraw/zinc/22/89/15/864228915.db2.gz KFEVQOVUPIJIMG-OWCLPIDISA-N 2 2 354.495 0.155 10 0 FCAELP CCc1nnc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)s1 ZINC001283759744 864516940 /nfs/dbraw/zinc/51/69/40/864516940.db2.gz KMLGWNZCMRLJPD-RWMBFGLXSA-N 2 2 355.508 0.398 10 0 FCAELP CCc1nnc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)s1 ZINC001283759744 864516947 /nfs/dbraw/zinc/51/69/47/864516947.db2.gz KMLGWNZCMRLJPD-RWMBFGLXSA-N 2 2 355.508 0.398 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCc1ccns1 ZINC001350504537 866611551 /nfs/dbraw/zinc/61/15/51/866611551.db2.gz FCYMWRBUAWTVFI-UHFFFAOYSA-N 2 2 367.519 0.286 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCc1ccns1 ZINC001350504537 866611557 /nfs/dbraw/zinc/61/15/57/866611557.db2.gz FCYMWRBUAWTVFI-UHFFFAOYSA-N 2 2 367.519 0.286 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(C(=O)C(C)(F)F)CC2)CC[N@@H+]1C ZINC001352658908 867216088 /nfs/dbraw/zinc/21/60/88/867216088.db2.gz AQYHXYWTYPWURC-ZIAGYGMSSA-N 2 2 360.449 0.632 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(C(=O)C(C)(F)F)CC2)CC[N@H+]1C ZINC001352658908 867216104 /nfs/dbraw/zinc/21/61/04/867216104.db2.gz AQYHXYWTYPWURC-ZIAGYGMSSA-N 2 2 360.449 0.632 10 0 FCAELP CCS(=O)(=O)NCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001316703587 867411219 /nfs/dbraw/zinc/41/12/19/867411219.db2.gz LMBLRRWEDMWIBT-HIFRSBDPSA-N 2 2 371.507 0.108 10 0 FCAELP CN(C(=O)NCC[C@H]1CNC(=O)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001354256082 867570752 /nfs/dbraw/zinc/57/07/52/867570752.db2.gz MUQLAMKFDLGMRY-GDBMZVCRSA-N 2 2 351.495 0.323 10 0 FCAELP CN(C(=O)NCC[C@H]1CNC(=O)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001354256082 867570762 /nfs/dbraw/zinc/57/07/62/867570762.db2.gz MUQLAMKFDLGMRY-GDBMZVCRSA-N 2 2 351.495 0.323 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@@H]1c1ccc(F)cc1 ZINC001325393732 869875425 /nfs/dbraw/zinc/87/54/25/869875425.db2.gz OICZNIIHBNFDNZ-STQMWFEESA-N 2 2 358.364 0.397 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@@H]1c1ccc(F)cc1 ZINC001325393732 869875440 /nfs/dbraw/zinc/87/54/40/869875440.db2.gz OICZNIIHBNFDNZ-STQMWFEESA-N 2 2 358.364 0.397 10 0 FCAELP Cc1cc([C@@H]([NH3+])CC(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)cc(Cl)n1 ZINC001326408446 870300180 /nfs/dbraw/zinc/30/01/80/870300180.db2.gz KYUDVOLUWBRPIF-STQMWFEESA-N 2 2 353.854 0.499 10 0 FCAELP Cc1cc([C@@H]([NH3+])CC(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)cc(Cl)n1 ZINC001326408446 870300197 /nfs/dbraw/zinc/30/01/97/870300197.db2.gz KYUDVOLUWBRPIF-STQMWFEESA-N 2 2 353.854 0.499 10 0 FCAELP CN(C(=O)C(=O)N[C@@H]1CSC1(C)C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001343847304 870633981 /nfs/dbraw/zinc/63/39/81/870633981.db2.gz XJQNATLUNZPNOQ-HUUCEWRRSA-N 2 2 368.547 0.624 10 0 FCAELP CN(C(=O)C(=O)N[C@@H]1CSC1(C)C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001343847304 870633989 /nfs/dbraw/zinc/63/39/89/870633989.db2.gz XJQNATLUNZPNOQ-HUUCEWRRSA-N 2 2 368.547 0.624 10 0 FCAELP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)N(CCC(N)=O)Cc3ccccc3)C2)C1 ZINC000292064067 214074566 /nfs/dbraw/zinc/07/45/66/214074566.db2.gz CWPLGXPGGQYMLH-HXUWFJFHSA-N 2 2 358.486 0.918 10 0 FCAELP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)N(CCC(N)=O)Cc3ccccc3)C2)C1 ZINC000292064067 214074570 /nfs/dbraw/zinc/07/45/70/214074570.db2.gz CWPLGXPGGQYMLH-HXUWFJFHSA-N 2 2 358.486 0.918 10 0 FCAELP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)N(CCC(N)=O)Cc3ccccc3)C2)C1 ZINC000292064067 214074571 /nfs/dbraw/zinc/07/45/71/214074571.db2.gz CWPLGXPGGQYMLH-HXUWFJFHSA-N 2 2 358.486 0.918 10 0 FCAELP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)N(CCC(N)=O)Cc3ccccc3)C2)C1 ZINC000292064067 214074574 /nfs/dbraw/zinc/07/45/74/214074574.db2.gz CWPLGXPGGQYMLH-HXUWFJFHSA-N 2 2 358.486 0.918 10 0 FCAELP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCOC[C@H](O)C1 ZINC000295085647 214277159 /nfs/dbraw/zinc/27/71/59/214277159.db2.gz BMRKZSAGJRRSFO-VQIMIIECSA-N 2 2 361.486 0.849 10 0 FCAELP O=C(C[N@H+]1CCOC[C@@H](O)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000295685188 214313053 /nfs/dbraw/zinc/31/30/53/214313053.db2.gz SDPHSHIXKWLWNN-KRWDZBQOSA-N 2 2 365.499 0.867 10 0 FCAELP O=C(C[N@@H+]1CCOC[C@@H](O)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000295685188 214313057 /nfs/dbraw/zinc/31/30/57/214313057.db2.gz SDPHSHIXKWLWNN-KRWDZBQOSA-N 2 2 365.499 0.867 10 0 FCAELP O[C@H]1COCC[N@H+](Cc2ccc(F)c(C[NH+]3CCOC[C@@H](O)C3)c2)C1 ZINC000295792052 214319439 /nfs/dbraw/zinc/31/94/39/214319439.db2.gz ZOCRNSDUYRFLBK-SJORKVTESA-N 2 2 354.422 0.212 10 0 FCAELP O[C@H]1COCC[N@@H+](Cc2ccc(F)c(C[NH+]3CCOC[C@@H](O)C3)c2)C1 ZINC000295792052 214319440 /nfs/dbraw/zinc/31/94/40/214319440.db2.gz ZOCRNSDUYRFLBK-SJORKVTESA-N 2 2 354.422 0.212 10 0 FCAELP O[C@H]1COCC[NH+](Cc2ccc(F)c(C[N@@H+]3CCOC[C@@H](O)C3)c2)C1 ZINC000295792052 214319443 /nfs/dbraw/zinc/31/94/43/214319443.db2.gz ZOCRNSDUYRFLBK-SJORKVTESA-N 2 2 354.422 0.212 10 0 FCAELP O[C@H]1COCC[NH+](Cc2ccc(F)c(C[N@H+]3CCOC[C@@H](O)C3)c2)C1 ZINC000295792052 214319446 /nfs/dbraw/zinc/31/94/46/214319446.db2.gz ZOCRNSDUYRFLBK-SJORKVTESA-N 2 2 354.422 0.212 10 0 FCAELP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000410485645 529907618 /nfs/dbraw/zinc/90/76/18/529907618.db2.gz QEBLZHRYGJMMFL-KRWDZBQOSA-N 2 2 366.506 0.254 10 0 FCAELP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000333679380 215308085 /nfs/dbraw/zinc/30/80/85/215308085.db2.gz ONECKKNUZKTQDB-BZUAXINKSA-N 2 2 351.495 0.323 10 0 FCAELP C[C@@H]1CC[C@H](C(N)=O)[C@H](C)[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000930912867 674075495 /nfs/dbraw/zinc/07/54/95/674075495.db2.gz CZAQEAOOWBLPRV-ILXRZTDVSA-N 2 2 354.495 0.188 10 0 FCAELP 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/nfs/dbraw/zinc/37/59/50/249375950.db2.gz RRNJWEVQQHVBPJ-OAHLLOKOSA-N 2 2 359.430 0.544 10 0 FCAELP CCOC(=O)C1(O)CC[NH+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000471180960 250092606 /nfs/dbraw/zinc/09/26/06/250092606.db2.gz BOHYQZHFHJEYRX-UHFFFAOYSA-N 2 2 355.479 0.365 10 0 FCAELP C[NH+](C)CCOCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000471663559 250113905 /nfs/dbraw/zinc/11/39/05/250113905.db2.gz QOIHZHNWWCVRFH-JWTNVVGKSA-N 3 2 367.538 0.517 10 0 FCAELP C[NH+](C)CCOCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000471663559 250113909 /nfs/dbraw/zinc/11/39/09/250113909.db2.gz QOIHZHNWWCVRFH-JWTNVVGKSA-N 3 2 367.538 0.517 10 0 FCAELP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719595 208038950 /nfs/dbraw/zinc/03/89/50/208038950.db2.gz JIYYIDRDRRWGAO-JKSUJKDBSA-N 2 2 350.507 0.920 10 0 FCAELP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719595 208038957 /nfs/dbraw/zinc/03/89/57/208038957.db2.gz JIYYIDRDRRWGAO-JKSUJKDBSA-N 2 2 350.507 0.920 10 0 FCAELP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000074167311 208053542 /nfs/dbraw/zinc/05/35/42/208053542.db2.gz OSDUFRAYQMCBAV-IAGOWNOFSA-N 2 2 354.495 0.603 10 0 FCAELP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000074167311 208053550 /nfs/dbraw/zinc/05/35/50/208053550.db2.gz OSDUFRAYQMCBAV-IAGOWNOFSA-N 2 2 354.495 0.603 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCCC[C@@H]2CN2CCOCC2)CC1 ZINC000075969057 208065690 /nfs/dbraw/zinc/06/56/90/208065690.db2.gz MQZBBWMYYBXMIF-QZTJIDSGSA-N 2 2 352.523 0.726 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCCC[C@@H]2CN2CCOCC2)CC1 ZINC000075969057 208065695 /nfs/dbraw/zinc/06/56/95/208065695.db2.gz MQZBBWMYYBXMIF-QZTJIDSGSA-N 2 2 352.523 0.726 10 0 FCAELP CC(C)CNC(=O)[C@@H](C)[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106122450 208210984 /nfs/dbraw/zinc/21/09/84/208210984.db2.gz OYDAMZFIDSDDPV-MSOLQXFVSA-N 2 2 354.539 0.874 10 0 FCAELP CC(C)CNC(=O)[C@@H](C)[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106122450 208210989 /nfs/dbraw/zinc/21/09/89/208210989.db2.gz OYDAMZFIDSDDPV-MSOLQXFVSA-N 2 2 354.539 0.874 10 0 FCAELP CCC(CC)[C@@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)[NH+]1CCOCC1 ZINC000104780876 208187124 /nfs/dbraw/zinc/18/71/24/208187124.db2.gz IYFWCGGYLXLBJW-IAGOWNOFSA-N 2 2 356.511 0.753 10 0 FCAELP CCC(CC)[C@@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCOCC1 ZINC000104780876 208187131 /nfs/dbraw/zinc/18/71/31/208187131.db2.gz IYFWCGGYLXLBJW-IAGOWNOFSA-N 2 2 356.511 0.753 10 0 FCAELP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N1CC[NH+](C2CC2)CC1 ZINC000105107010 208192701 /nfs/dbraw/zinc/19/27/01/208192701.db2.gz SOZQJZUNILMADW-UHFFFAOYSA-N 2 2 373.505 0.478 10 0 FCAELP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129787 208214140 /nfs/dbraw/zinc/21/41/40/208214140.db2.gz CCNRUJNGTIXGDH-OAHLLOKOSA-N 2 2 364.494 0.902 10 0 FCAELP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129787 208214144 /nfs/dbraw/zinc/21/41/44/208214144.db2.gz CCNRUJNGTIXGDH-OAHLLOKOSA-N 2 2 364.494 0.902 10 0 FCAELP Cc1cc(NC(=O)C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)n(C)n1 ZINC000106129414 208215443 /nfs/dbraw/zinc/21/54/43/208215443.db2.gz OTVWDNDCXLQJQC-UHFFFAOYSA-N 2 2 359.478 0.960 10 0 FCAELP Cc1cc(NC(=O)C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)n(C)n1 ZINC000106129414 208215448 /nfs/dbraw/zinc/21/54/48/208215448.db2.gz OTVWDNDCXLQJQC-UHFFFAOYSA-N 2 2 359.478 0.960 10 0 FCAELP C[NH+]1CCN(S(=O)(=O)c2ccccc2C[NH2+]Cc2cncnc2)CC1 ZINC000116922197 208337365 /nfs/dbraw/zinc/33/73/65/208337365.db2.gz LULMCQFZFRZWAK-UHFFFAOYSA-N 2 2 361.471 0.703 10 0 FCAELP COCC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000117522953 208345355 /nfs/dbraw/zinc/34/53/55/208345355.db2.gz YXXABSHXJYQONS-HNNXBMFYSA-N 2 2 362.474 0.866 10 0 FCAELP COCC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000117522953 208345357 /nfs/dbraw/zinc/34/53/57/208345357.db2.gz YXXABSHXJYQONS-HNNXBMFYSA-N 2 2 362.474 0.866 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000180260053 209093059 /nfs/dbraw/zinc/09/30/59/209093059.db2.gz MRRZUVXMMRYTIR-YJBOKZPZSA-N 2 2 374.485 0.866 10 0 FCAELP CC(C)(CNC(=O)C[N@@H+]1CC[C@H](Oc2cccnc2)C1)[NH+]1CCOCC1 ZINC000177960608 209039549 /nfs/dbraw/zinc/03/95/49/209039549.db2.gz JUYJAZXTJVIKQP-KRWDZBQOSA-N 2 2 362.474 0.762 10 0 FCAELP CC(C)(CNC(=O)C[N@H+]1CC[C@H](Oc2cccnc2)C1)[NH+]1CCOCC1 ZINC000177960608 209039552 /nfs/dbraw/zinc/03/95/52/209039552.db2.gz JUYJAZXTJVIKQP-KRWDZBQOSA-N 2 2 362.474 0.762 10 0 FCAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@](O)(C(F)(F)F)C2)CC1 ZINC000179312619 209075535 /nfs/dbraw/zinc/07/55/35/209075535.db2.gz VOVLJEVCCHTIGC-CQSZACIVSA-N 2 2 352.401 0.721 10 0 FCAELP C[C@@H]1C[N@@H+](CCN(C)C(=O)NCCCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000194876474 229273103 /nfs/dbraw/zinc/27/31/03/229273103.db2.gz CEAIPNUHXBODLO-CALCHBBNSA-N 2 2 356.511 0.849 10 0 FCAELP C[C@@H]1C[N@H+](CCN(C)C(=O)NCCCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000194876474 229273111 /nfs/dbraw/zinc/27/31/11/229273111.db2.gz CEAIPNUHXBODLO-CALCHBBNSA-N 2 2 356.511 0.849 10 0 FCAELP Cc1cc(NCCNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)nc(C(C)C)[nH+]1 ZINC000627410515 484359138 /nfs/dbraw/zinc/35/91/38/484359138.db2.gz IMYOMZVLYXFMAY-CYBMUJFWSA-N 2 2 350.467 0.536 10 0 FCAELP Cc1cc(NCCNC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000627406788 484359293 /nfs/dbraw/zinc/35/92/93/484359293.db2.gz RPDHEUYTLJTFTM-AWEZNQCLSA-N 2 2 362.478 0.552 10 0 FCAELP CC[NH2+][C@H](C)CNC(=O)C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000627419719 484363507 /nfs/dbraw/zinc/36/35/07/484363507.db2.gz JLEKOGIHVZMJQA-CYBMUJFWSA-N 2 2 350.467 0.551 10 0 FCAELP C[C@@H](O)c1cn(CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)nn1 ZINC000364401423 488956200 /nfs/dbraw/zinc/95/62/00/488956200.db2.gz HBOHUABOROIBPT-OAHLLOKOSA-N 2 2 364.494 0.398 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC3(CC2)OCCO3)C1 ZINC000045749486 487950628 /nfs/dbraw/zinc/95/06/28/487950628.db2.gz WBCBIIBVSXWRDK-MRXNPFEDSA-N 2 2 355.479 0.298 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC3(CC2)OCCO3)C1 ZINC000045749486 487950634 /nfs/dbraw/zinc/95/06/34/487950634.db2.gz WBCBIIBVSXWRDK-MRXNPFEDSA-N 2 2 355.479 0.298 10 0 FCAELP CC(=O)NC[C@H]1CCC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000067416294 488350310 /nfs/dbraw/zinc/35/03/10/488350310.db2.gz ZIHYGNLDCYKZHP-QZTJIDSGSA-N 2 2 368.522 0.308 10 0 FCAELP CC(=O)NC[C@H]1CCC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000067416294 488350315 /nfs/dbraw/zinc/35/03/15/488350315.db2.gz ZIHYGNLDCYKZHP-QZTJIDSGSA-N 2 2 368.522 0.308 10 0 FCAELP CC(=O)NC[C@H]1CCC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000067416294 488350317 /nfs/dbraw/zinc/35/03/17/488350317.db2.gz ZIHYGNLDCYKZHP-QZTJIDSGSA-N 2 2 368.522 0.308 10 0 FCAELP CC(=O)NC[C@H]1CCC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000067416294 488350320 /nfs/dbraw/zinc/35/03/20/488350320.db2.gz ZIHYGNLDCYKZHP-QZTJIDSGSA-N 2 2 368.522 0.308 10 0 FCAELP C[NH+]1CCN(c2cc(C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)ccn2)CC1 ZINC000068383967 488364609 /nfs/dbraw/zinc/36/46/09/488364609.db2.gz ATCFMNAWAPVYDQ-GOSISDBHSA-N 2 2 373.501 0.770 10 0 FCAELP C[C@@H](CNC(=O)NCCCC[NH+]1CCOCC1)CN1CC[NH+](C)CC1 ZINC000073676384 488385766 /nfs/dbraw/zinc/38/57/66/488385766.db2.gz BKSPWRKSBNREQO-KRWDZBQOSA-N 2 2 355.527 0.282 10 0 FCAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000073722479 488386082 /nfs/dbraw/zinc/38/60/82/488386082.db2.gz JQKBMNAVJKGARC-DOTOQJQBSA-N 2 2 367.538 0.957 10 0 FCAELP C[C@@H](Cn1cncn1)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000073964959 488387108 /nfs/dbraw/zinc/38/71/08/488387108.db2.gz JMBIBYZXLSJZQK-INIZCTEOSA-N 2 2 363.510 0.916 10 0 FCAELP CC[NH+]1CCN(CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000074067615 488387471 /nfs/dbraw/zinc/38/74/71/488387471.db2.gz RKMJVICOSNWGJO-UHFFFAOYSA-N 3 2 365.566 0.690 10 0 FCAELP C[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)c2cccc(Br)c2)CC1 ZINC000183911393 488394752 /nfs/dbraw/zinc/39/47/52/488394752.db2.gz OHRZTQKQDUTKQD-AWEZNQCLSA-N 2 2 356.264 0.846 10 0 FCAELP CC[C@H](O)C[NH+]1CCN(C(=O)NCCCC[NH+]2CCN(CC)CC2)CC1 ZINC000184844646 488398350 /nfs/dbraw/zinc/39/83/50/488398350.db2.gz ZUYVQIJNPSYYAN-SFHVURJKSA-N 2 2 369.554 0.502 10 0 FCAELP CC[C@H](O)C[NH+]1CCN(C(=O)NCCCCN2CC[NH+](CC)CC2)CC1 ZINC000184844646 488398354 /nfs/dbraw/zinc/39/83/54/488398354.db2.gz ZUYVQIJNPSYYAN-SFHVURJKSA-N 2 2 369.554 0.502 10 0 FCAELP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCCC[NH+]1CCOCC1 ZINC000185577639 488401431 /nfs/dbraw/zinc/40/14/31/488401431.db2.gz YYZGQCZITAZZEL-KRWDZBQOSA-N 2 2 355.527 0.424 10 0 FCAELP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCCCC[NH+]1CCOCC1 ZINC000185577639 488401436 /nfs/dbraw/zinc/40/14/36/488401436.db2.gz YYZGQCZITAZZEL-KRWDZBQOSA-N 2 2 355.527 0.424 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000268498688 488424491 /nfs/dbraw/zinc/42/44/91/488424491.db2.gz AOIFBIXTDSLBHE-UHFFFAOYSA-N 2 2 358.446 0.640 10 0 FCAELP O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000554352600 491198030 /nfs/dbraw/zinc/19/80/30/491198030.db2.gz RIQGPILIPRHJTJ-DLBZAZTESA-N 2 2 364.490 0.053 10 0 FCAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000245426286 488463933 /nfs/dbraw/zinc/46/39/33/488463933.db2.gz LEWOJTNIKQJWCR-XJKSGUPXSA-N 2 2 368.503 0.935 10 0 FCAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000245426286 488463936 /nfs/dbraw/zinc/46/39/36/488463936.db2.gz LEWOJTNIKQJWCR-XJKSGUPXSA-N 2 2 368.503 0.935 10 0 FCAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000245426286 488463939 /nfs/dbraw/zinc/46/39/39/488463939.db2.gz LEWOJTNIKQJWCR-XJKSGUPXSA-N 2 2 368.503 0.935 10 0 FCAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000245426286 488463942 /nfs/dbraw/zinc/46/39/42/488463942.db2.gz LEWOJTNIKQJWCR-XJKSGUPXSA-N 2 2 368.503 0.935 10 0 FCAELP O=C1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CN1CC[NH+]1CCOCC1 ZINC000245966655 488468007 /nfs/dbraw/zinc/46/80/07/488468007.db2.gz ZCWVWOSMIRMYBP-RNIPGJKVSA-N 2 2 363.502 0.857 10 0 FCAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCN(c3cnccn3)CC2)[C@@H](C)C1 ZINC000246452570 488473012 /nfs/dbraw/zinc/47/30/12/488473012.db2.gz FMLDCUHYSNSMSI-DLBZAZTESA-N 2 2 360.506 0.787 10 0 FCAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCN(c3cnccn3)CC2)[C@@H](C)C1 ZINC000246452570 488473014 /nfs/dbraw/zinc/47/30/14/488473014.db2.gz FMLDCUHYSNSMSI-DLBZAZTESA-N 2 2 360.506 0.787 10 0 FCAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCN(c3cnccn3)CC2)[C@@H](C)C1 ZINC000246452570 488473016 /nfs/dbraw/zinc/47/30/16/488473016.db2.gz FMLDCUHYSNSMSI-DLBZAZTESA-N 2 2 360.506 0.787 10 0 FCAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCN(c3cnccn3)CC2)[C@@H](C)C1 ZINC000246452570 488473018 /nfs/dbraw/zinc/47/30/18/488473018.db2.gz FMLDCUHYSNSMSI-DLBZAZTESA-N 2 2 360.506 0.787 10 0 FCAELP C[C@H](O)C[NH+]1CCN(CCCCN2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)C[C@H]1C ZINC000246985153 488479930 /nfs/dbraw/zinc/47/99/30/488479930.db2.gz MDIRQHQKRPPVDK-ZRNYENFQSA-N 2 2 370.582 0.540 10 0 FCAELP C[C@H](O)C[NH+]1CCN(CCCCN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)C[C@H]1C ZINC000246985153 488479932 /nfs/dbraw/zinc/47/99/32/488479932.db2.gz MDIRQHQKRPPVDK-ZRNYENFQSA-N 2 2 370.582 0.540 10 0 FCAELP COCC[N@@H+]1CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC000247136680 488482844 /nfs/dbraw/zinc/48/28/44/488482844.db2.gz PALHRVIKDYQWKV-DLBZAZTESA-N 2 2 356.511 0.705 10 0 FCAELP COCC[N@H+]1CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC000247136680 488482847 /nfs/dbraw/zinc/48/28/47/488482847.db2.gz PALHRVIKDYQWKV-DLBZAZTESA-N 2 2 356.511 0.705 10 0 FCAELP CC[C@@H]1CN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC000247218211 488482871 /nfs/dbraw/zinc/48/28/71/488482871.db2.gz VHHIVUIYMHLGKC-IAGOWNOFSA-N 2 2 355.527 0.375 10 0 FCAELP CC[C@@H]1CN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC000247218211 488482874 /nfs/dbraw/zinc/48/28/74/488482874.db2.gz VHHIVUIYMHLGKC-IAGOWNOFSA-N 2 2 355.527 0.375 10 0 FCAELP CC[C@@H]1CN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC[N@H+]1CCOC ZINC000247218211 488482878 /nfs/dbraw/zinc/48/28/78/488482878.db2.gz VHHIVUIYMHLGKC-IAGOWNOFSA-N 2 2 355.527 0.375 10 0 FCAELP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000247941309 488492121 /nfs/dbraw/zinc/49/21/21/488492121.db2.gz DAGKYBYKMWWMPA-MOPGFXCFSA-N 2 2 361.486 0.803 10 0 FCAELP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000247941309 488492122 /nfs/dbraw/zinc/49/21/22/488492122.db2.gz DAGKYBYKMWWMPA-MOPGFXCFSA-N 2 2 361.486 0.803 10 0 FCAELP C[C@@H](NC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000248497379 488497175 /nfs/dbraw/zinc/49/71/75/488497175.db2.gz RGZAHNUYSIOTQW-BBWFWOEESA-N 2 2 370.538 0.830 10 0 FCAELP CC[C@@H]1CN(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000248483187 488497184 /nfs/dbraw/zinc/49/71/84/488497184.db2.gz JIPLWMGVQKDFBG-RCCFBDPRSA-N 2 2 369.554 0.357 10 0 FCAELP CC[C@@H]1CN(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC[N@H+]1C[C@@H](C)O ZINC000248483187 488497187 /nfs/dbraw/zinc/49/71/87/488497187.db2.gz JIPLWMGVQKDFBG-RCCFBDPRSA-N 2 2 369.554 0.357 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)CC(=O)NC(C)(C)C)C1 ZINC000102691561 488498427 /nfs/dbraw/zinc/49/84/27/488498427.db2.gz LRECCGJACFIAQX-OAHLLOKOSA-N 2 2 356.511 0.306 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)CC(=O)NC(C)(C)C)C1 ZINC000102691561 488498429 /nfs/dbraw/zinc/49/84/29/488498429.db2.gz LRECCGJACFIAQX-OAHLLOKOSA-N 2 2 356.511 0.306 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)CC(=O)NC(C)(C)C)C1 ZINC000102691561 488498431 /nfs/dbraw/zinc/49/84/31/488498431.db2.gz LRECCGJACFIAQX-OAHLLOKOSA-N 2 2 356.511 0.306 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)CC(=O)NC(C)(C)C)C1 ZINC000102691561 488498433 /nfs/dbraw/zinc/49/84/33/488498433.db2.gz LRECCGJACFIAQX-OAHLLOKOSA-N 2 2 356.511 0.306 10 0 FCAELP C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C[C@@H]1C ZINC000248599489 488499245 /nfs/dbraw/zinc/49/92/45/488499245.db2.gz ITDVDIYSDSQVFL-GJZGRUSLSA-N 2 2 358.446 0.864 10 0 FCAELP C[C@H](O)C[N@H+]1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C[C@@H]1C ZINC000248599489 488499247 /nfs/dbraw/zinc/49/92/47/488499247.db2.gz ITDVDIYSDSQVFL-GJZGRUSLSA-N 2 2 358.446 0.864 10 0 FCAELP O[C@H](C[NH+]1CCC[C@@H](n2cncn2)C1)C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000248749989 488502589 /nfs/dbraw/zinc/50/25/89/488502589.db2.gz UDHBNKKEMNEDKC-BJWYYQGGSA-N 2 2 360.466 0.205 10 0 FCAELP O[C@H](C[NH+]1CCC[C@@H](n2cncn2)C1)C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000248749989 488502592 /nfs/dbraw/zinc/50/25/92/488502592.db2.gz UDHBNKKEMNEDKC-BJWYYQGGSA-N 2 2 360.466 0.205 10 0 FCAELP O[C@@H](C[NH+]1CCC[C@H](n2cncn2)C1)C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000248749989 488502595 /nfs/dbraw/zinc/50/25/95/488502595.db2.gz UDHBNKKEMNEDKC-BJWYYQGGSA-N 2 2 360.466 0.205 10 0 FCAELP O[C@@H](C[NH+]1CCC[C@H](n2cncn2)C1)C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000248749989 488502597 /nfs/dbraw/zinc/50/25/97/488502597.db2.gz UDHBNKKEMNEDKC-BJWYYQGGSA-N 2 2 360.466 0.205 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000105134414 488507627 /nfs/dbraw/zinc/50/76/27/488507627.db2.gz FTDAPKNCSMQCDC-UHFFFAOYSA-N 3 2 369.554 0.766 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000105134414 488507633 /nfs/dbraw/zinc/50/76/33/488507633.db2.gz FTDAPKNCSMQCDC-UHFFFAOYSA-N 3 2 369.554 0.766 10 0 FCAELP C[NH+]1CCN(CCCNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000112269684 488533549 /nfs/dbraw/zinc/53/35/49/488533549.db2.gz OIIKZXXWVCEDHQ-UHFFFAOYSA-N 2 2 360.506 0.201 10 0 FCAELP CN1CC[NH+](CCCNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000112269684 488533553 /nfs/dbraw/zinc/53/35/53/488533553.db2.gz OIIKZXXWVCEDHQ-UHFFFAOYSA-N 2 2 360.506 0.201 10 0 FCAELP C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(C(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000261856602 488539154 /nfs/dbraw/zinc/53/91/54/488539154.db2.gz PFVRPMVKXAJVJL-CVEARBPZSA-N 2 2 350.507 0.968 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)N3CC[C@H](C[NH+]4CCOCC4)C3)ccc2[nH+]1 ZINC000271725792 488542216 /nfs/dbraw/zinc/54/22/16/488542216.db2.gz ZWJYVSQJZFUWGK-OAHLLOKOSA-N 2 2 371.441 0.762 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261984242 488544483 /nfs/dbraw/zinc/54/44/83/488544483.db2.gz RXUHABXISOMNLG-KSZLIROESA-N 3 2 352.523 0.676 10 0 FCAELP [NH3+]Cc1nc(CN2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)no1 ZINC000262117904 488552039 /nfs/dbraw/zinc/55/20/39/488552039.db2.gz BRJXNYPVBJEEAO-INIZCTEOSA-N 2 2 371.489 0.958 10 0 FCAELP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000118828149 488554468 /nfs/dbraw/zinc/55/44/68/488554468.db2.gz YUCYOBOYHQBKRM-UHFFFAOYSA-N 2 2 352.504 0.339 10 0 FCAELP COCCCNC(=O)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000121301294 488566384 /nfs/dbraw/zinc/56/63/84/488566384.db2.gz SKIFGFXJULGTNY-UHFFFAOYSA-N 2 2 354.495 0.015 10 0 FCAELP C[C@H]1C[C@@H](C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[NH2+]1 ZINC000262418264 488569420 /nfs/dbraw/zinc/56/94/20/488569420.db2.gz UPIBHRASENOOAQ-HOTGVXAUSA-N 2 2 359.474 0.625 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H]([NH+](C)CC(=O)[O-])CC2)CC1 ZINC000262543006 488576812 /nfs/dbraw/zinc/57/68/12/488576812.db2.gz RXCDANIOHLTMQX-HOTGVXAUSA-N 2 2 354.495 0.410 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H]([NH+](C)CC(=O)[O-])CC2)CC1 ZINC000262543006 488576814 /nfs/dbraw/zinc/57/68/14/488576814.db2.gz RXCDANIOHLTMQX-HOTGVXAUSA-N 2 2 354.495 0.410 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC[C@H]([N@H+](C)CC(=O)[O-])CC2)CC1 ZINC000262543006 488576815 /nfs/dbraw/zinc/57/68/15/488576815.db2.gz RXCDANIOHLTMQX-HOTGVXAUSA-N 2 2 354.495 0.410 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC[C@H]([N@@H+](C)CC(=O)[O-])CC2)CC1 ZINC000262543006 488576816 /nfs/dbraw/zinc/57/68/16/488576816.db2.gz RXCDANIOHLTMQX-HOTGVXAUSA-N 2 2 354.495 0.410 10 0 FCAELP C[C@H]1C[C@H]([NH+](C)CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC[N@@H+]1C ZINC000123559325 488586425 /nfs/dbraw/zinc/58/64/25/488586425.db2.gz VSPIAEPTWCQRLS-JKSUJKDBSA-N 2 2 362.474 0.979 10 0 FCAELP C[C@H]1C[C@H]([NH+](C)CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC[N@H+]1C ZINC000123559325 488586428 /nfs/dbraw/zinc/58/64/28/488586428.db2.gz VSPIAEPTWCQRLS-JKSUJKDBSA-N 2 2 362.474 0.979 10 0 FCAELP C[C@H]1C[C@H]([N@H+](C)CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC[NH+]1C ZINC000123559325 488586431 /nfs/dbraw/zinc/58/64/31/488586431.db2.gz VSPIAEPTWCQRLS-JKSUJKDBSA-N 2 2 362.474 0.979 10 0 FCAELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC[NH+]1C ZINC000123559325 488586434 /nfs/dbraw/zinc/58/64/34/488586434.db2.gz VSPIAEPTWCQRLS-JKSUJKDBSA-N 2 2 362.474 0.979 10 0 FCAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[N@@H+]1C ZINC000123949431 488589222 /nfs/dbraw/zinc/58/92/22/488589222.db2.gz MZUXNAVBQJBGDW-OCCSQVGLSA-N 2 2 354.476 0.687 10 0 FCAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[N@H+]1C ZINC000123949431 488589225 /nfs/dbraw/zinc/58/92/25/488589225.db2.gz MZUXNAVBQJBGDW-OCCSQVGLSA-N 2 2 354.476 0.687 10 0 FCAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[NH+]1C ZINC000123949431 488589228 /nfs/dbraw/zinc/58/92/28/488589228.db2.gz MZUXNAVBQJBGDW-OCCSQVGLSA-N 2 2 354.476 0.687 10 0 FCAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[NH+]1C ZINC000123949431 488589230 /nfs/dbraw/zinc/58/92/30/488589230.db2.gz MZUXNAVBQJBGDW-OCCSQVGLSA-N 2 2 354.476 0.687 10 0 FCAELP O=C(C[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000125826319 488604603 /nfs/dbraw/zinc/60/46/03/488604603.db2.gz SZEYPYMAKDDFLS-AEFFLSMTSA-N 2 2 374.485 0.914 10 0 FCAELP O=C(C[N@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000125826319 488604605 /nfs/dbraw/zinc/60/46/05/488604605.db2.gz SZEYPYMAKDDFLS-AEFFLSMTSA-N 2 2 374.485 0.914 10 0 FCAELP O=C(CCOC1C[NH2+]C1)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000563063971 491212255 /nfs/dbraw/zinc/21/22/55/491212255.db2.gz CDSZURRCQQTRMI-UHFFFAOYSA-N 2 2 363.458 0.392 10 0 FCAELP Cn1cc[nH+]c1CN1CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000131518509 488646788 /nfs/dbraw/zinc/64/67/88/488646788.db2.gz ORTHTFAEECFUMP-HNNXBMFYSA-N 2 2 355.508 0.209 10 0 FCAELP CCS(=O)(=O)NCCC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000132598769 488654659 /nfs/dbraw/zinc/65/46/59/488654659.db2.gz KELNOPXUUXMDLU-UHFFFAOYSA-N 2 2 357.524 0.609 10 0 FCAELP CCS(=O)(=O)NCCC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000132598769 488654661 /nfs/dbraw/zinc/65/46/61/488654661.db2.gz KELNOPXUUXMDLU-UHFFFAOYSA-N 2 2 357.524 0.609 10 0 FCAELP CC[C@H]1CN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC[N@@H+]1C[C@@H](C)O ZINC000274316107 488697912 /nfs/dbraw/zinc/69/79/12/488697912.db2.gz BZIXJNDPGKZIJG-CABCVRRESA-N 2 2 362.478 0.036 10 0 FCAELP CC[C@H]1CN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC[N@H+]1C[C@@H](C)O ZINC000274316107 488697913 /nfs/dbraw/zinc/69/79/13/488697913.db2.gz BZIXJNDPGKZIJG-CABCVRRESA-N 2 2 362.478 0.036 10 0 FCAELP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NCCOc1ccc2c(c1)OCO2 ZINC000563149687 491221733 /nfs/dbraw/zinc/22/17/33/491221733.db2.gz HMJUBKHWZRONPI-IBGZPJMESA-N 2 2 361.442 0.986 10 0 FCAELP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NCCOc1ccc2c(c1)OCO2 ZINC000563149687 491221734 /nfs/dbraw/zinc/22/17/34/491221734.db2.gz HMJUBKHWZRONPI-IBGZPJMESA-N 2 2 361.442 0.986 10 0 FCAELP C[C@H](NC(=O)C1CC[NH+](Cc2nccn2C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000170886909 488817370 /nfs/dbraw/zinc/81/73/70/488817370.db2.gz DJOFXLLFQJCMNF-HOTGVXAUSA-N 2 2 363.506 0.858 10 0 FCAELP CN(C(=O)NC[C@H]1C[N@H+](C)CCO1)C1CC[NH+](CCn2cccn2)CC1 ZINC000171760703 488826859 /nfs/dbraw/zinc/82/68/59/488826859.db2.gz QANYBYJUWWSLFD-KRWDZBQOSA-N 2 2 364.494 0.320 10 0 FCAELP CN(C(=O)NC[C@H]1C[N@@H+](C)CCO1)C1CC[NH+](CCn2cccn2)CC1 ZINC000171760703 488826860 /nfs/dbraw/zinc/82/68/60/488826860.db2.gz QANYBYJUWWSLFD-KRWDZBQOSA-N 2 2 364.494 0.320 10 0 FCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2cnn(C)c2)C1 ZINC000173699192 488844420 /nfs/dbraw/zinc/84/44/20/488844420.db2.gz NQCALBASODGYQH-CQSZACIVSA-N 2 2 366.491 0.794 10 0 FCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2cnn(C)c2)C1 ZINC000173699192 488844421 /nfs/dbraw/zinc/84/44/21/488844421.db2.gz NQCALBASODGYQH-CQSZACIVSA-N 2 2 366.491 0.794 10 0 FCAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCNS(=O)(=O)c2cnn(C)c2)C1 ZINC000173699203 488844578 /nfs/dbraw/zinc/84/45/78/488844578.db2.gz NQCALBASODGYQH-AWEZNQCLSA-N 2 2 366.491 0.794 10 0 FCAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCNS(=O)(=O)c2cnn(C)c2)C1 ZINC000173699203 488844579 /nfs/dbraw/zinc/84/45/79/488844579.db2.gz NQCALBASODGYQH-AWEZNQCLSA-N 2 2 366.491 0.794 10 0 FCAELP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)cc2C1 ZINC000174007221 488847134 /nfs/dbraw/zinc/84/71/34/488847134.db2.gz CZLUWXHXYCNHNY-QGZVFWFLSA-N 2 2 358.442 0.504 10 0 FCAELP C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)cc2C1 ZINC000174007221 488847135 /nfs/dbraw/zinc/84/71/35/488847135.db2.gz CZLUWXHXYCNHNY-QGZVFWFLSA-N 2 2 358.442 0.504 10 0 FCAELP COCCCS(=O)(=O)NCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000175252349 488853676 /nfs/dbraw/zinc/85/36/76/488853676.db2.gz WHKIFTMMORFBJN-OAHLLOKOSA-N 2 2 356.492 0.771 10 0 FCAELP COCCCS(=O)(=O)NCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000175252349 488853677 /nfs/dbraw/zinc/85/36/77/488853677.db2.gz WHKIFTMMORFBJN-OAHLLOKOSA-N 2 2 356.492 0.771 10 0 FCAELP C[C@H]1CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000175619559 488854650 /nfs/dbraw/zinc/85/46/50/488854650.db2.gz XKMYTUPYAGHGEK-HOTGVXAUSA-N 2 2 354.495 0.459 10 0 FCAELP C[C@@H]1CN(C(=O)NCCCC[NH+]2CCOCC2)C[C@H]1[NH+]1CCOCC1 ZINC000175673032 488854747 /nfs/dbraw/zinc/85/47/47/488854747.db2.gz UOKKUXGEFOUMMZ-IAGOWNOFSA-N 2 2 354.495 0.461 10 0 FCAELP C[C@H]1CN(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000175649522 488854780 /nfs/dbraw/zinc/85/47/80/488854780.db2.gz ZGRIFCLCTRTUIM-FJIDUMEYSA-N 2 2 368.522 0.848 10 0 FCAELP C[C@H]1CN(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000175649522 488854781 /nfs/dbraw/zinc/85/47/81/488854781.db2.gz ZGRIFCLCTRTUIM-FJIDUMEYSA-N 2 2 368.522 0.848 10 0 FCAELP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000329153747 488975024 /nfs/dbraw/zinc/97/50/24/488975024.db2.gz BCUZBNXXZRTNFW-CABCVRRESA-N 2 2 358.446 0.768 10 0 FCAELP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000329153747 488975027 /nfs/dbraw/zinc/97/50/27/488975027.db2.gz BCUZBNXXZRTNFW-CABCVRRESA-N 2 2 358.446 0.768 10 0 FCAELP C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](C[NH2+][C@H]2CCCOC2)CC3)CC1 ZINC000365176717 489045975 /nfs/dbraw/zinc/04/59/75/489045975.db2.gz BNDYCXYGLNUQFY-CVEARBPZSA-N 2 2 361.490 0.602 10 0 FCAELP CC[NH+]1CCN(C(=O)c2cccc(C(=O)N3CC[NH+](CC)CC3)c2O)CC1 ZINC000281172898 489058575 /nfs/dbraw/zinc/05/85/75/489058575.db2.gz NAUQAGPFOLFFKV-UHFFFAOYSA-N 2 2 374.485 0.948 10 0 FCAELP O=C1NCCN1CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000289471570 489069627 /nfs/dbraw/zinc/06/96/27/489069627.db2.gz QXSZQYVULBYQSL-LJQANCHMSA-N 2 2 357.502 0.904 10 0 FCAELP O=C1NCCN1CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000289471570 489069630 /nfs/dbraw/zinc/06/96/30/489069630.db2.gz QXSZQYVULBYQSL-LJQANCHMSA-N 2 2 357.502 0.904 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1)CC2 ZINC000660176946 493332537 /nfs/dbraw/zinc/33/25/37/493332537.db2.gz RSGRHWOKVSMRKH-UHFFFAOYSA-N 2 2 359.430 0.717 10 0 FCAELP CC(C)(C)[C@@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1O ZINC000330708546 489135646 /nfs/dbraw/zinc/13/56/46/489135646.db2.gz NQKOJKTYLYVCGK-HZPDHXFCSA-N 2 2 355.523 0.942 10 0 FCAELP CC(C)(C)[C@@H]1CC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1O ZINC000330708546 489135649 /nfs/dbraw/zinc/13/56/49/489135649.db2.gz NQKOJKTYLYVCGK-HZPDHXFCSA-N 2 2 355.523 0.942 10 0 FCAELP C[NH+]1CCN(C(=O)CC[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)CC1 ZINC000283237073 489231594 /nfs/dbraw/zinc/23/15/94/489231594.db2.gz UOFXHZAYWAKPSE-HZPDHXFCSA-N 2 2 351.447 0.568 10 0 FCAELP C[NH+]1CCN(C(=O)CC[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)CC1 ZINC000283237073 489231596 /nfs/dbraw/zinc/23/15/96/489231596.db2.gz UOFXHZAYWAKPSE-HZPDHXFCSA-N 2 2 351.447 0.568 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N(CC[NH+](C)C)C(C)C)CC2)cc[nH+]1 ZINC000297756343 489235585 /nfs/dbraw/zinc/23/55/85/489235585.db2.gz HRGPPVKCKDZORK-UHFFFAOYSA-N 2 2 362.478 0.232 10 0 FCAELP CC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC000283275272 489237319 /nfs/dbraw/zinc/23/73/19/489237319.db2.gz CMVITTIKFIPQKL-UHFFFAOYSA-N 2 2 360.462 0.034 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000369551617 489251157 /nfs/dbraw/zinc/25/11/57/489251157.db2.gz DBJWQGJPFSKGTF-MQVJKMGUSA-N 2 2 351.491 0.713 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000369551617 489251159 /nfs/dbraw/zinc/25/11/59/489251159.db2.gz DBJWQGJPFSKGTF-MQVJKMGUSA-N 2 2 351.491 0.713 10 0 FCAELP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C)C1 ZINC000297936754 489265257 /nfs/dbraw/zinc/26/52/57/489265257.db2.gz DYSXAUPLMFEYSL-SJORKVTESA-N 2 2 373.501 0.919 10 0 FCAELP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C)C1 ZINC000297936754 489265259 /nfs/dbraw/zinc/26/52/59/489265259.db2.gz DYSXAUPLMFEYSL-SJORKVTESA-N 2 2 373.501 0.919 10 0 FCAELP C[NH+]1CCC(CNC(=O)c2nccnc2C(N)=O)([NH+]2CCCCC2)CC1 ZINC000369917521 489291312 /nfs/dbraw/zinc/29/13/12/489291312.db2.gz AWIXVVYWNPJSEF-UHFFFAOYSA-N 2 2 360.462 0.256 10 0 FCAELP Cn1ccc(C[NH2+]C[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)n1 ZINC000370230852 489331794 /nfs/dbraw/zinc/33/17/94/489331794.db2.gz PKZDOWMUSFABRD-OAHLLOKOSA-N 2 2 371.489 0.356 10 0 FCAELP C[C@H]1C[N@H+](CCO)CCN1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000452111253 489547733 /nfs/dbraw/zinc/54/77/33/489547733.db2.gz BWMOGKGLFLMTMH-INIZCTEOSA-N 2 2 366.531 0.391 10 0 FCAELP C[C@H]1C[N@@H+](CCO)CCN1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000452111253 489547736 /nfs/dbraw/zinc/54/77/36/489547736.db2.gz BWMOGKGLFLMTMH-INIZCTEOSA-N 2 2 366.531 0.391 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[N@H+](CCO)C[C@H]2C)CC1 ZINC000452117076 489549072 /nfs/dbraw/zinc/54/90/72/489549072.db2.gz NNLHYDCEHRGABW-MOPGFXCFSA-N 2 2 374.529 0.890 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[N@@H+](CCO)C[C@H]2C)CC1 ZINC000452117076 489549075 /nfs/dbraw/zinc/54/90/75/489549075.db2.gz NNLHYDCEHRGABW-MOPGFXCFSA-N 2 2 374.529 0.890 10 0 FCAELP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000416300257 489579819 /nfs/dbraw/zinc/57/98/19/489579819.db2.gz SZUYFGRAXZSZQW-OALUTQOASA-N 2 2 374.529 0.718 10 0 FCAELP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000416300257 489579820 /nfs/dbraw/zinc/57/98/20/489579820.db2.gz SZUYFGRAXZSZQW-OALUTQOASA-N 2 2 374.529 0.718 10 0 FCAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000454989555 489584245 /nfs/dbraw/zinc/58/42/45/489584245.db2.gz JLVWSCLRPLENSE-CQSZACIVSA-N 2 2 363.462 0.757 10 0 FCAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000454989555 489584247 /nfs/dbraw/zinc/58/42/47/489584247.db2.gz JLVWSCLRPLENSE-CQSZACIVSA-N 2 2 363.462 0.757 10 0 FCAELP C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1=O ZINC000372585928 489604318 /nfs/dbraw/zinc/60/43/18/489604318.db2.gz SBAMUENVNHWTFT-HLLBOEOZSA-N 2 2 365.522 0.663 10 0 FCAELP C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1=O ZINC000372585928 489604321 /nfs/dbraw/zinc/60/43/21/489604321.db2.gz SBAMUENVNHWTFT-HLLBOEOZSA-N 2 2 365.522 0.663 10 0 FCAELP C[C@@H]1CN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)[N@H+]1CCO ZINC000456225601 489612110 /nfs/dbraw/zinc/61/21/10/489612110.db2.gz MYUZPLQORPTCTC-KDURUIRLSA-N 2 2 374.529 0.718 10 0 FCAELP C[C@@H]1CN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)[N@@H+]1CCO ZINC000456225601 489612114 /nfs/dbraw/zinc/61/21/14/489612114.db2.gz MYUZPLQORPTCTC-KDURUIRLSA-N 2 2 374.529 0.718 10 0 FCAELP COCC[NH2+]CCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000416991547 489637957 /nfs/dbraw/zinc/63/79/57/489637957.db2.gz QNFHMGMGOXKFRF-GASCZTMLSA-N 2 2 365.478 0.730 10 0 FCAELP O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCC[C@H]1CCC[NH2+]1 ZINC000417361554 489649461 /nfs/dbraw/zinc/64/94/61/489649461.db2.gz CHPLDZNTDJOMHG-MRXNPFEDSA-N 2 2 374.489 0.562 10 0 FCAELP O=C(NCCCN1CC[NH2+]CC1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000418289712 489688307 /nfs/dbraw/zinc/68/83/07/489688307.db2.gz PCUSZNTUJALTGE-QGZVFWFLSA-N 2 2 353.511 0.178 10 0 FCAELP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@H]2CCCC[N@H+]2CCO)CC1 ZINC000458589350 489689762 /nfs/dbraw/zinc/68/97/62/489689762.db2.gz KNTPUEQZBROLIB-QGZVFWFLSA-N 3 2 355.527 0.158 10 0 FCAELP COc1nnc(NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)s1 ZINC000374687748 489704143 /nfs/dbraw/zinc/70/41/43/489704143.db2.gz UDBMDRAFINDZED-FUNVUKJBSA-N 2 2 366.491 1.321 10 0 FCAELP COc1nnc(NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)s1 ZINC000374687748 489704149 /nfs/dbraw/zinc/70/41/49/489704149.db2.gz UDBMDRAFINDZED-FUNVUKJBSA-N 2 2 366.491 1.321 10 0 FCAELP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000418795255 489728102 /nfs/dbraw/zinc/72/81/02/489728102.db2.gz CFPCTLJMQWDODP-NWDGAFQWSA-N 2 2 354.401 0.509 10 0 FCAELP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000418795255 489728107 /nfs/dbraw/zinc/72/81/07/489728107.db2.gz CFPCTLJMQWDODP-NWDGAFQWSA-N 2 2 354.401 0.509 10 0 FCAELP O=C(NCC1C[NH2+]C1)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000418797555 489729711 /nfs/dbraw/zinc/72/97/11/489729711.db2.gz GCNDHTQWGGXIOQ-ZDUSSCGKSA-N 2 2 366.412 0.381 10 0 FCAELP O=C(NCC1C[NH2+]C1)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000418797555 489729715 /nfs/dbraw/zinc/72/97/15/489729715.db2.gz GCNDHTQWGGXIOQ-ZDUSSCGKSA-N 2 2 366.412 0.381 10 0 FCAELP C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000418807161 489732191 /nfs/dbraw/zinc/73/21/91/489732191.db2.gz PMYQUURLENMMGF-QWHCGFSZSA-N 2 2 368.428 0.899 10 0 FCAELP C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000418807161 489732194 /nfs/dbraw/zinc/73/21/94/489732194.db2.gz PMYQUURLENMMGF-QWHCGFSZSA-N 2 2 368.428 0.899 10 0 FCAELP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000570962428 491276676 /nfs/dbraw/zinc/27/66/76/491276676.db2.gz CKBHYRMVOFHMMD-KBAYOESNSA-N 2 2 374.485 0.385 10 0 FCAELP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000570962428 491276677 /nfs/dbraw/zinc/27/66/77/491276677.db2.gz CKBHYRMVOFHMMD-KBAYOESNSA-N 2 2 374.485 0.385 10 0 FCAELP C[C@@H]1COCC[NH+]1CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000570962428 491276678 /nfs/dbraw/zinc/27/66/78/491276678.db2.gz CKBHYRMVOFHMMD-KBAYOESNSA-N 2 2 374.485 0.385 10 0 FCAELP C[C@@H]1COCC[NH+]1CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000570962428 491276679 /nfs/dbraw/zinc/27/66/79/491276679.db2.gz CKBHYRMVOFHMMD-KBAYOESNSA-N 2 2 374.485 0.385 10 0 FCAELP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH2+]C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000418864288 489763530 /nfs/dbraw/zinc/76/35/30/489763530.db2.gz IVISZNDSMYHYLC-HIFRSBDPSA-N 2 2 372.391 0.691 10 0 FCAELP CC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH2+]C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000418864288 489763535 /nfs/dbraw/zinc/76/35/35/489763535.db2.gz IVISZNDSMYHYLC-HIFRSBDPSA-N 2 2 372.391 0.691 10 0 FCAELP CC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC[NH2+]C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000418864285 489763934 /nfs/dbraw/zinc/76/39/34/489763934.db2.gz IVISZNDSMYHYLC-DZGCQCFKSA-N 2 2 372.391 0.691 10 0 FCAELP CC[N@H+]1CC[C@H](NC(=O)C(=O)NCC[NH2+]C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000418864285 489763939 /nfs/dbraw/zinc/76/39/39/489763939.db2.gz IVISZNDSMYHYLC-DZGCQCFKSA-N 2 2 372.391 0.691 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418899184 489781397 /nfs/dbraw/zinc/78/13/97/489781397.db2.gz BPRZMDKVQHSPOP-GJZGRUSLSA-N 2 2 352.385 0.258 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418899184 489781399 /nfs/dbraw/zinc/78/13/99/489781399.db2.gz BPRZMDKVQHSPOP-GJZGRUSLSA-N 2 2 352.385 0.258 10 0 FCAELP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418900105 489781694 /nfs/dbraw/zinc/78/16/94/489781694.db2.gz CPVSGHJQRAEBNM-LYRGGWFBSA-N 2 2 366.412 0.647 10 0 FCAELP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418900105 489781696 /nfs/dbraw/zinc/78/16/96/489781696.db2.gz CPVSGHJQRAEBNM-LYRGGWFBSA-N 2 2 366.412 0.647 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC([NH3+])CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000418900659 489782162 /nfs/dbraw/zinc/78/21/62/489782162.db2.gz DHAFJLRCDZMBIK-JKSUJKDBSA-N 2 2 366.412 0.776 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC([NH3+])CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000418900659 489782165 /nfs/dbraw/zinc/78/21/65/489782165.db2.gz DHAFJLRCDZMBIK-JKSUJKDBSA-N 2 2 366.412 0.776 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418905829 489784300 /nfs/dbraw/zinc/78/43/00/489784300.db2.gz KFGGCZSFCHMMPS-JYJNAYRXSA-N 2 2 366.412 0.680 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418905829 489784304 /nfs/dbraw/zinc/78/43/04/489784304.db2.gz KFGGCZSFCHMMPS-JYJNAYRXSA-N 2 2 366.412 0.680 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[NH2+]CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418907218 489785299 /nfs/dbraw/zinc/78/52/99/489785299.db2.gz LULZPEPWWHFSJX-CVEARBPZSA-N 2 2 366.412 0.648 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[NH2+]CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418907218 489785302 /nfs/dbraw/zinc/78/53/02/489785302.db2.gz LULZPEPWWHFSJX-CVEARBPZSA-N 2 2 366.412 0.648 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000418913618 489789122 /nfs/dbraw/zinc/78/91/22/489789122.db2.gz SOWYERUPLRBWTP-CHWSQXEVSA-N 2 2 374.819 0.912 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000418913618 489789123 /nfs/dbraw/zinc/78/91/23/489789123.db2.gz SOWYERUPLRBWTP-CHWSQXEVSA-N 2 2 374.819 0.912 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCO[C@@H](C2CC2)C1 ZINC000459986148 489809312 /nfs/dbraw/zinc/80/93/12/489809312.db2.gz FGQAOYGFMMOCQK-QGZVFWFLSA-N 2 2 366.506 0.108 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCO[C@@H](C2CC2)C1 ZINC000459986148 489809317 /nfs/dbraw/zinc/80/93/17/489809317.db2.gz FGQAOYGFMMOCQK-QGZVFWFLSA-N 2 2 366.506 0.108 10 0 FCAELP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000419071051 489845482 /nfs/dbraw/zinc/84/54/82/489845482.db2.gz IFZLWLOROMILNT-KCXAZCMYSA-N 2 2 373.432 0.879 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])CC2)cc[nH+]1 ZINC000420008508 489879564 /nfs/dbraw/zinc/87/95/64/489879564.db2.gz BSKKIEOBHXFVHO-CABCVRRESA-N 2 2 360.462 0.067 10 0 FCAELP [NH3+]C[C@H](NC(=O)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000420067718 489901627 /nfs/dbraw/zinc/90/16/27/489901627.db2.gz SWQOPDJFYJBTKR-HOCLYGCPSA-N 2 2 359.474 0.779 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)[C@@H]1c1ccccc1 ZINC000564066549 491286535 /nfs/dbraw/zinc/28/65/35/491286535.db2.gz LKSIVNCWTPLWQY-RYRKJORJSA-N 2 2 367.453 0.876 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)[C@@H]1c1ccccc1 ZINC000564066549 491286538 /nfs/dbraw/zinc/28/65/38/491286538.db2.gz LKSIVNCWTPLWQY-RYRKJORJSA-N 2 2 367.453 0.876 10 0 FCAELP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C[C@H]3C)CC2)c1 ZINC000420100827 489912120 /nfs/dbraw/zinc/91/21/20/489912120.db2.gz LFOIHKWHUIKQPW-SJLPKXTDSA-N 2 2 358.486 0.753 10 0 FCAELP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000420128831 489922558 /nfs/dbraw/zinc/92/25/58/489922558.db2.gz WKAPPUGBEOBPCL-NVXWUHKLSA-N 2 2 374.485 0.454 10 0 FCAELP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000377683346 489940845 /nfs/dbraw/zinc/94/08/45/489940845.db2.gz XYPYIBSXVKQWKT-SJLPKXTDSA-N 3 2 367.538 0.565 10 0 FCAELP COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000377683346 489940850 /nfs/dbraw/zinc/94/08/50/489940850.db2.gz XYPYIBSXVKQWKT-SJLPKXTDSA-N 3 2 367.538 0.565 10 0 FCAELP COCC[NH+]1CCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377683346 489940853 /nfs/dbraw/zinc/94/08/53/489940853.db2.gz XYPYIBSXVKQWKT-SJLPKXTDSA-N 3 2 367.538 0.565 10 0 FCAELP COCC[NH+]1CCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377683346 489940857 /nfs/dbraw/zinc/94/08/57/489940857.db2.gz XYPYIBSXVKQWKT-SJLPKXTDSA-N 3 2 367.538 0.565 10 0 FCAELP CC[NH+]1CCN(CC(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CC1 ZINC000461974189 489947872 /nfs/dbraw/zinc/94/78/72/489947872.db2.gz SRQTZRZYUSWUOX-SFHVURJKSA-N 2 2 373.501 0.712 10 0 FCAELP CC[NH+]1CCN(CC(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CC1 ZINC000461974189 489947876 /nfs/dbraw/zinc/94/78/76/489947876.db2.gz SRQTZRZYUSWUOX-SFHVURJKSA-N 2 2 373.501 0.712 10 0 FCAELP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000477214071 489950564 /nfs/dbraw/zinc/95/05/64/489950564.db2.gz AXIPNGKKCMRVOW-KRWDZBQOSA-N 2 2 364.494 0.358 10 0 FCAELP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000477214071 489950568 /nfs/dbraw/zinc/95/05/68/489950568.db2.gz AXIPNGKKCMRVOW-KRWDZBQOSA-N 2 2 364.494 0.358 10 0 FCAELP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000477214072 489950590 /nfs/dbraw/zinc/95/05/90/489950590.db2.gz AXIPNGKKCMRVOW-QGZVFWFLSA-N 2 2 364.494 0.358 10 0 FCAELP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000477214072 489950593 /nfs/dbraw/zinc/95/05/93/489950593.db2.gz AXIPNGKKCMRVOW-QGZVFWFLSA-N 2 2 364.494 0.358 10 0 FCAELP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC000477629644 489980272 /nfs/dbraw/zinc/98/02/72/489980272.db2.gz ZHUYUGGYVFGYTR-UHFFFAOYSA-N 2 2 363.462 0.343 10 0 FCAELP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000477629644 489980276 /nfs/dbraw/zinc/98/02/76/489980276.db2.gz ZHUYUGGYVFGYTR-UHFFFAOYSA-N 2 2 363.462 0.343 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000556098515 491294831 /nfs/dbraw/zinc/29/48/31/491294831.db2.gz UQKWBYMZMZEADP-MRXNPFEDSA-N 2 2 359.474 0.851 10 0 FCAELP CN(CC[NH+]1CCOCC1)[C@@H]1CCCC[C@H]1[N@H+](C)CCN1CCOCC1 ZINC000464488765 490057730 /nfs/dbraw/zinc/05/77/30/490057730.db2.gz UCXOTSKFWXYQDO-WOJBJXKFSA-N 2 2 368.566 0.826 10 0 FCAELP CN(CC[NH+]1CCOCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)CCN1CCOCC1 ZINC000464488765 490057735 /nfs/dbraw/zinc/05/77/35/490057735.db2.gz UCXOTSKFWXYQDO-WOJBJXKFSA-N 2 2 368.566 0.826 10 0 FCAELP CCN(CCC[NH+](C)C)C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000519768169 490079743 /nfs/dbraw/zinc/07/97/43/490079743.db2.gz MFOPAZGWNXUXGA-UHFFFAOYSA-N 2 2 361.490 0.967 10 0 FCAELP CC(C)(CNC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1)[NH+]1CCOCC1 ZINC000532747885 490105703 /nfs/dbraw/zinc/10/57/03/490105703.db2.gz CHXVECXXIRZDFM-DLBZAZTESA-N 2 2 353.507 0.962 10 0 FCAELP CC(C)(CNC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1)[NH+]1CCOCC1 ZINC000532747885 490105711 /nfs/dbraw/zinc/10/57/11/490105711.db2.gz CHXVECXXIRZDFM-DLBZAZTESA-N 2 2 353.507 0.962 10 0 FCAELP CN(Cc1[nH+]ccn1C)C(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000556231810 491304430 /nfs/dbraw/zinc/30/44/30/491304430.db2.gz XJDGTNBCMHYIJL-UHFFFAOYSA-N 2 2 366.425 0.940 10 0 FCAELP Cc1[nH+]ccn1CCNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000497688402 490194808 /nfs/dbraw/zinc/19/48/08/490194808.db2.gz UAKFEBBGPWCXRY-UHFFFAOYSA-N 2 2 362.478 0.435 10 0 FCAELP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000521624814 490283293 /nfs/dbraw/zinc/28/32/93/490283293.db2.gz BTSQHMFBIARLBP-GDBMZVCRSA-N 2 2 353.426 0.399 10 0 FCAELP COc1c[nH+]ccc1N1CC[NH+](CC2(O)CCS(=O)(=O)CC2)CC1 ZINC000483215946 490294848 /nfs/dbraw/zinc/29/48/48/490294848.db2.gz JEWGLFPMTUQWFM-UHFFFAOYSA-N 2 2 355.460 0.152 10 0 FCAELP CNc1nc(N2CCC([NH+](C)C)CC2)[nH+]c(N2CCC([NH+](C)C)CC2)n1 ZINC000467746607 490336902 /nfs/dbraw/zinc/33/69/02/490336902.db2.gz OOYKFPLKTPIBAL-UHFFFAOYSA-N 3 2 362.526 0.396 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000422469314 490338734 /nfs/dbraw/zinc/33/87/34/490338734.db2.gz CSTWKCZNWAXLIQ-AWEZNQCLSA-N 2 2 359.430 0.130 10 0 FCAELP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000422472785 490343323 /nfs/dbraw/zinc/34/33/23/490343323.db2.gz MSFFLLSZCPJJBM-UHFFFAOYSA-N 2 2 373.457 0.520 10 0 FCAELP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000422472785 490343331 /nfs/dbraw/zinc/34/33/31/490343331.db2.gz MSFFLLSZCPJJBM-UHFFFAOYSA-N 2 2 373.457 0.520 10 0 FCAELP COc1cc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)nn1C ZINC000547843082 490366250 /nfs/dbraw/zinc/36/62/50/490366250.db2.gz RPWPGONFABXAOA-UHFFFAOYSA-N 2 2 364.494 1.501 10 0 FCAELP COC1CCN(C2(C[NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)CCCC2)CC1 ZINC000564855249 491331441 /nfs/dbraw/zinc/33/14/41/491331441.db2.gz DNESRUITQCFSMV-GOSISDBHSA-N 2 2 368.566 0.608 10 0 FCAELP COC1CC[NH+](C2(CNC[C@@H](O)C[NH+]3CCN(C)CC3)CCCC2)CC1 ZINC000564855249 491331442 /nfs/dbraw/zinc/33/14/42/491331442.db2.gz DNESRUITQCFSMV-GOSISDBHSA-N 2 2 368.566 0.608 10 0 FCAELP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422944530 490503297 /nfs/dbraw/zinc/50/32/97/490503297.db2.gz ZWJRCLXKVXZOJK-IRXDYDNUSA-N 2 2 353.488 0.630 10 0 FCAELP O=C(NCCNc1cc[nH+]cc1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000536018416 490547512 /nfs/dbraw/zinc/54/75/12/490547512.db2.gz OOXXPARADJMNMY-KRWDZBQOSA-N 2 2 365.503 0.423 10 0 FCAELP C[C@H]1C[C@@H](NC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CC[N@@H+]1C ZINC000524723030 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0.467 10 0 FCAELP CC[NH+]1CCN(c2ccc(CNC(=O)NCc3[nH+]ccn3C)cn2)CC1 ZINC000519026019 490959855 /nfs/dbraw/zinc/95/98/55/490959855.db2.gz XCRUUCJBCNHDEV-UHFFFAOYSA-N 2 2 357.462 0.956 10 0 FCAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000531685147 490970669 /nfs/dbraw/zinc/97/06/69/490970669.db2.gz KDGINXFLLCIRQF-MAUKXSAKSA-N 2 2 367.515 0.888 10 0 FCAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000531685147 490970672 /nfs/dbraw/zinc/97/06/72/490970672.db2.gz KDGINXFLLCIRQF-MAUKXSAKSA-N 2 2 367.515 0.888 10 0 FCAELP CN(CCC[NH+](C)C)C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000544665728 490975153 /nfs/dbraw/zinc/97/51/53/490975153.db2.gz HKFXRNNXEPJBFZ-UHFFFAOYSA-N 2 2 353.511 0.524 10 0 FCAELP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000519572667 490977051 /nfs/dbraw/zinc/97/70/51/490977051.db2.gz QXKXHHUZAGIMSH-LSDHHAIUSA-N 2 2 364.494 0.939 10 0 FCAELP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O 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Cc1cn2c([nH+]1)C[C@@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)CC2 ZINC000625086685 492721820 /nfs/dbraw/zinc/72/18/20/492721820.db2.gz YKLIPXUIMSTNAB-HOTGVXAUSA-N 2 2 361.490 0.813 10 0 FCAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)CC2 ZINC000625086685 492721823 /nfs/dbraw/zinc/72/18/23/492721823.db2.gz YKLIPXUIMSTNAB-HOTGVXAUSA-N 2 2 361.490 0.813 10 0 FCAELP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1OCC(=O)N(CC)[C@H]1c1[nH+]ccn1C ZINC000625141923 492729292 /nfs/dbraw/zinc/72/92/92/492729292.db2.gz RLIOABNUDHOPIO-NUEKZKHPSA-N 2 2 365.478 0.555 10 0 FCAELP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1OCC(=O)N(CC)[C@H]1c1[nH+]ccn1C ZINC000625141923 492729298 /nfs/dbraw/zinc/72/92/98/492729298.db2.gz RLIOABNUDHOPIO-NUEKZKHPSA-N 2 2 365.478 0.555 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1cnnn1-c1ccccc1 ZINC000625276758 492749855 /nfs/dbraw/zinc/74/98/55/492749855.db2.gz DHUTXKBENOCFFT-UHFFFAOYSA-N 2 2 366.491 0.429 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1cnnn1-c1ccccc1 ZINC000625276758 492749859 /nfs/dbraw/zinc/74/98/59/492749859.db2.gz DHUTXKBENOCFFT-UHFFFAOYSA-N 2 2 366.491 0.429 10 0 FCAELP CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)CC1 ZINC000625354610 492760790 /nfs/dbraw/zinc/76/07/90/492760790.db2.gz UNDMSCHYLLUZEQ-QGZVFWFLSA-N 2 2 374.485 0.550 10 0 FCAELP CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)CC1 ZINC000625354610 492760797 /nfs/dbraw/zinc/76/07/97/492760797.db2.gz UNDMSCHYLLUZEQ-QGZVFWFLSA-N 2 2 374.485 0.550 10 0 FCAELP O=C([C@H]1CC[C@@H]1C(=O)N1CC[NH+](C2CC2)CC1)N1CC[NH+](C2CC2)CC1 ZINC000630841110 492778712 /nfs/dbraw/zinc/77/87/12/492778712.db2.gz WUHBMQYIVRYVDB-ROUUACIJSA-N 2 2 360.502 0.626 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@@H+]1C ZINC000630865408 492779493 /nfs/dbraw/zinc/77/94/93/492779493.db2.gz CONVFRVVDIKEQC-DLBZAZTESA-N 2 2 373.501 0.967 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@H+]1C ZINC000630865408 492779497 /nfs/dbraw/zinc/77/94/97/492779497.db2.gz CONVFRVVDIKEQC-DLBZAZTESA-N 2 2 373.501 0.967 10 0 FCAELP Cc1cc(C[NH2+]C[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)on1 ZINC000631121389 492798277 /nfs/dbraw/zinc/79/82/77/492798277.db2.gz PSAJMYIWTYVEDT-HNNXBMFYSA-N 2 2 372.473 0.919 10 0 FCAELP CCCC[N@H+](C)CCNC(=O)[C@@H]1OCC(=O)N(CC)[C@H]1c1[nH+]ccn1C ZINC000625517340 492807358 /nfs/dbraw/zinc/80/73/58/492807358.db2.gz KWVULFRZMUJVRW-HZPDHXFCSA-N 2 2 365.478 0.557 10 0 FCAELP CCCC[N@@H+](C)CCNC(=O)[C@@H]1OCC(=O)N(CC)[C@H]1c1[nH+]ccn1C ZINC000625517340 492807363 /nfs/dbraw/zinc/80/73/63/492807363.db2.gz KWVULFRZMUJVRW-HZPDHXFCSA-N 2 2 365.478 0.557 10 0 FCAELP Cc1cnc(C)c(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000651710814 492810866 /nfs/dbraw/zinc/81/08/66/492810866.db2.gz PBWVBAUNGLMDFN-HNNXBMFYSA-N 2 2 359.474 0.922 10 0 FCAELP Cc1cnc(C)c(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000651710814 492810869 /nfs/dbraw/zinc/81/08/69/492810869.db2.gz PBWVBAUNGLMDFN-HNNXBMFYSA-N 2 2 359.474 0.922 10 0 FCAELP C[N@@H+]1CCO[C@H](CS(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000631641543 492828392 /nfs/dbraw/zinc/82/83/92/492828392.db2.gz UWHRQSIZXXDTLO-SFHVURJKSA-N 2 2 367.515 0.901 10 0 FCAELP C[N@H+]1CCO[C@H](CS(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000631641543 492828396 /nfs/dbraw/zinc/82/83/96/492828396.db2.gz UWHRQSIZXXDTLO-SFHVURJKSA-N 2 2 367.515 0.901 10 0 FCAELP C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000631690367 492835935 /nfs/dbraw/zinc/83/59/35/492835935.db2.gz GJOVEBBKGVDRCA-SFHVURJKSA-N 2 2 367.515 0.855 10 0 FCAELP C[N@H+]1CCO[C@H](CS(=O)(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000631690367 492835937 /nfs/dbraw/zinc/83/59/37/492835937.db2.gz GJOVEBBKGVDRCA-SFHVURJKSA-N 2 2 367.515 0.855 10 0 FCAELP C[NH+]1CCO[C@H](CS(=O)(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000631690367 492835939 /nfs/dbraw/zinc/83/59/39/492835939.db2.gz GJOVEBBKGVDRCA-SFHVURJKSA-N 2 2 367.515 0.855 10 0 FCAELP C[NH+]1CCO[C@H](CS(=O)(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000631690367 492835942 /nfs/dbraw/zinc/83/59/42/492835942.db2.gz GJOVEBBKGVDRCA-SFHVURJKSA-N 2 2 367.515 0.855 10 0 FCAELP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000625626561 492846695 /nfs/dbraw/zinc/84/66/95/492846695.db2.gz XZUMYMLSGFODJI-GOEBONIOSA-N 2 2 359.474 0.869 10 0 FCAELP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000625626561 492846699 /nfs/dbraw/zinc/84/66/99/492846699.db2.gz XZUMYMLSGFODJI-GOEBONIOSA-N 2 2 359.474 0.869 10 0 FCAELP C[NH+](C)[C@H](CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)c1ccc(F)cc1 ZINC000631776687 492850780 /nfs/dbraw/zinc/85/07/80/492850780.db2.gz VKNFQUZIDUNENY-JKSUJKDBSA-N 2 2 359.467 0.678 10 0 FCAELP C[NH+](C)[C@H](CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)c1ccc(F)cc1 ZINC000631776687 492850784 /nfs/dbraw/zinc/85/07/84/492850784.db2.gz VKNFQUZIDUNENY-JKSUJKDBSA-N 2 2 359.467 0.678 10 0 FCAELP CC[NH+](CC)[C@@H](CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)c1ccco1 ZINC000631813821 492857843 /nfs/dbraw/zinc/85/78/43/492857843.db2.gz ZSBKPVNNIAJDHS-GJZGRUSLSA-N 2 2 359.492 0.913 10 0 FCAELP CC[NH+](CC)[C@@H](CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)c1ccco1 ZINC000631813821 492857844 /nfs/dbraw/zinc/85/78/44/492857844.db2.gz ZSBKPVNNIAJDHS-GJZGRUSLSA-N 2 2 359.492 0.913 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cc(C2CC2)n(C)n1 ZINC000658338404 492862007 /nfs/dbraw/zinc/86/20/07/492862007.db2.gz JARZUETYOBPCLD-ZDUSSCGKSA-N 2 2 364.494 0.624 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cc(C2CC2)n(C)n1 ZINC000658338404 492862010 /nfs/dbraw/zinc/86/20/10/492862010.db2.gz JARZUETYOBPCLD-ZDUSSCGKSA-N 2 2 364.494 0.624 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccn2ccnc2c1 ZINC000658339822 492862169 /nfs/dbraw/zinc/86/21/69/492862169.db2.gz VZNHAKYUQSFUMI-AWEZNQCLSA-N 2 2 360.462 0.661 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccn2ccnc2c1 ZINC000658339822 492862170 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ZINC000632706816 493068467 /nfs/dbraw/zinc/06/84/67/493068467.db2.gz SSKNHGSBTZSASH-QZTJIDSGSA-N 2 2 367.515 0.819 10 0 FCAELP Cc1ccc(C[N@@H+]2CC[C@@H](NS(=O)(=O)C[C@H]3C[NH+](C)CCO3)C2)cc1 ZINC000632706816 493068469 /nfs/dbraw/zinc/06/84/69/493068469.db2.gz SSKNHGSBTZSASH-QZTJIDSGSA-N 2 2 367.515 0.819 10 0 FCAELP C[NH2+]CCOCCN(C)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000626946590 493069117 /nfs/dbraw/zinc/06/91/17/493069117.db2.gz UESXZSDSIWUSDA-MRXNPFEDSA-N 2 2 360.524 0.072 10 0 FCAELP CC[NH+](CC)CCS(=O)(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000632713216 493069556 /nfs/dbraw/zinc/06/95/56/493069556.db2.gz UFYFDFMFSTZPMC-UHFFFAOYSA-N 2 2 355.508 0.308 10 0 FCAELP CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653097910 493069865 /nfs/dbraw/zinc/06/98/65/493069865.db2.gz YMXBMDJZEBXCOY-STQMWFEESA-N 2 2 366.428 0.915 10 0 FCAELP CCN(C(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[N@H+](CC)C1 ZINC000658823679 493070772 /nfs/dbraw/zinc/07/07/72/493070772.db2.gz WPTHIZOEIRKOLZ-NXOAAHMSSA-N 2 2 368.522 0.543 10 0 FCAELP CCN(C(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000658823679 493070773 /nfs/dbraw/zinc/07/07/73/493070773.db2.gz WPTHIZOEIRKOLZ-NXOAAHMSSA-N 2 2 368.522 0.543 10 0 FCAELP CCN(C(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH+](CC)C1 ZINC000658823679 493070775 /nfs/dbraw/zinc/07/07/75/493070775.db2.gz WPTHIZOEIRKOLZ-NXOAAHMSSA-N 2 2 368.522 0.543 10 0 FCAELP CCN(C(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH+](CC)C1 ZINC000658823679 493070777 /nfs/dbraw/zinc/07/07/77/493070777.db2.gz WPTHIZOEIRKOLZ-NXOAAHMSSA-N 2 2 368.522 0.543 10 0 FCAELP CCN(C(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1)[C@H]1CC[N@H+](CC)C1 ZINC000658825201 493071671 /nfs/dbraw/zinc/07/16/71/493071671.db2.gz JUIIDGCKVKTOPR-INIZCTEOSA-N 2 2 368.522 0.498 10 0 FCAELP CCN(C(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000658825201 493071675 /nfs/dbraw/zinc/07/16/75/493071675.db2.gz JUIIDGCKVKTOPR-INIZCTEOSA-N 2 2 368.522 0.498 10 0 FCAELP CCN(C(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)[C@H]1CC[NH+](CC)C1 ZINC000658825201 493071677 /nfs/dbraw/zinc/07/16/77/493071677.db2.gz JUIIDGCKVKTOPR-INIZCTEOSA-N 2 2 368.522 0.498 10 0 FCAELP CCN(C(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)[C@H]1CC[NH+](CC)C1 ZINC000658825201 493071680 /nfs/dbraw/zinc/07/16/80/493071680.db2.gz JUIIDGCKVKTOPR-INIZCTEOSA-N 2 2 368.522 0.498 10 0 FCAELP CCN(C(=O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000658825614 493072566 /nfs/dbraw/zinc/07/25/66/493072566.db2.gz LNULTDZYPWVNSZ-KRWDZBQOSA-N 2 2 373.501 0.981 10 0 FCAELP CCN(C(=O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000658825614 493072572 /nfs/dbraw/zinc/07/25/72/493072572.db2.gz LNULTDZYPWVNSZ-KRWDZBQOSA-N 2 2 373.501 0.981 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)C(=O)N(CC)[C@H]2CC[N@H+](CC)C2)CC1 ZINC000658828174 493075023 /nfs/dbraw/zinc/07/50/23/493075023.db2.gz ASBRXGIFKYJWRL-INIZCTEOSA-N 2 2 354.495 0.110 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)C(=O)N(CC)[C@H]2CC[N@@H+](CC)C2)CC1 ZINC000658828174 493075028 /nfs/dbraw/zinc/07/50/28/493075028.db2.gz ASBRXGIFKYJWRL-INIZCTEOSA-N 2 2 354.495 0.110 10 0 FCAELP C[NH+]1CCC(CNC(=O)NC[C@@H]2COCC[NH2+]2)([NH+]2CCCCC2)CC1 ZINC000626987788 493075490 /nfs/dbraw/zinc/07/54/90/493075490.db2.gz BOMPPMGZMPAIBD-MRXNPFEDSA-N 3 2 353.511 0.224 10 0 FCAELP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000653158900 493080622 /nfs/dbraw/zinc/08/06/22/493080622.db2.gz OWMQAYXFBXRFCU-GJZGRUSLSA-N 2 2 360.437 0.794 10 0 FCAELP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000653260686 493087015 /nfs/dbraw/zinc/08/70/15/493087015.db2.gz JPIXSKNZSQQKAJ-BZUAXINKSA-N 2 2 354.495 0.330 10 0 FCAELP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000653260686 493087016 /nfs/dbraw/zinc/08/70/16/493087016.db2.gz JPIXSKNZSQQKAJ-BZUAXINKSA-N 2 2 354.495 0.330 10 0 FCAELP COCCC[N@H+](C)CCNC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633053835 493110635 /nfs/dbraw/zinc/11/06/35/493110635.db2.gz RQGYETUDVVHZAS-UHFFFAOYSA-N 2 2 364.494 0.315 10 0 FCAELP COCCC[N@@H+](C)CCNC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633053835 493110639 /nfs/dbraw/zinc/11/06/39/493110639.db2.gz RQGYETUDVVHZAS-UHFFFAOYSA-N 2 2 364.494 0.315 10 0 FCAELP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000658980561 493119298 /nfs/dbraw/zinc/11/92/98/493119298.db2.gz QAUNHKSEHYZCSS-HUUCEWRRSA-N 2 2 363.437 0.977 10 0 FCAELP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000627288104 493134375 /nfs/dbraw/zinc/13/43/75/493134375.db2.gz NMWAOVOIEDMHJU-CYBMUJFWSA-N 2 2 368.428 0.853 10 0 FCAELP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000627288104 493134380 /nfs/dbraw/zinc/13/43/80/493134380.db2.gz NMWAOVOIEDMHJU-CYBMUJFWSA-N 2 2 368.428 0.853 10 0 FCAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000627290674 493135552 /nfs/dbraw/zinc/13/55/52/493135552.db2.gz XKKWYQFKENZBKS-OKZBNKHCSA-N 2 2 374.485 0.260 10 0 FCAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000627290674 493135556 /nfs/dbraw/zinc/13/55/56/493135556.db2.gz XKKWYQFKENZBKS-OKZBNKHCSA-N 2 2 374.485 0.260 10 0 FCAELP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659071611 493138504 /nfs/dbraw/zinc/13/85/04/493138504.db2.gz PJUFGXPZGAZDHH-XJKSGUPXSA-N 2 2 357.414 0.687 10 0 FCAELP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659071608 493138662 /nfs/dbraw/zinc/13/86/62/493138662.db2.gz PJUFGXPZGAZDHH-BBRMVZONSA-N 2 2 357.414 0.687 10 0 FCAELP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627309531 493144790 /nfs/dbraw/zinc/14/47/90/493144790.db2.gz UCPYUWWCCCFAPN-UHFFFAOYSA-N 2 2 359.430 0.085 10 0 FCAELP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000659093723 493149387 /nfs/dbraw/zinc/14/93/87/493149387.db2.gz ASLFPSBBAFZQOO-HUUCEWRRSA-N 2 2 362.474 0.960 10 0 FCAELP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000659093723 493149393 /nfs/dbraw/zinc/14/93/93/493149393.db2.gz ASLFPSBBAFZQOO-HUUCEWRRSA-N 2 2 362.474 0.960 10 0 FCAELP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)NCCOCCC[NH3+])c1ccccc1 ZINC000627317777 493150256 /nfs/dbraw/zinc/15/02/56/493150256.db2.gz XQHMNEAOZVWHJT-HNNXBMFYSA-N 2 2 359.430 0.107 10 0 FCAELP O=C(Nc1cccc2c1CC[NH2+]C2)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659099003 493151507 /nfs/dbraw/zinc/15/15/07/493151507.db2.gz NLUGOGVYTMEAOB-OAHLLOKOSA-N 2 2 358.442 0.204 10 0 FCAELP Cc1cccn2cc(CCNC(=O)C(=O)N[C@@H]3CC[NH2+]C34CCC4)[nH+]c12 ZINC000627327324 493155354 /nfs/dbraw/zinc/15/53/54/493155354.db2.gz UUDUCMXGEKIERP-OAHLLOKOSA-N 2 2 355.442 0.702 10 0 FCAELP C[C@@H]1CC[C@H](NC(=O)C(=O)NCc2[nH+]ccn2CCc2ccccc2)C[NH2+]1 ZINC000627327652 493155461 /nfs/dbraw/zinc/15/54/61/493155461.db2.gz FLPOHOXHPCIIIJ-WBVHZDCISA-N 2 2 369.469 0.999 10 0 FCAELP C[C@H]1CC[C@@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C[NH2+]1 ZINC000627365613 493181094 /nfs/dbraw/zinc/18/10/94/493181094.db2.gz UMKKNBTWSQWVTK-DLBZAZTESA-N 2 2 373.501 0.182 10 0 FCAELP COCC[NH2+]CCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000659526918 493205663 /nfs/dbraw/zinc/20/56/63/493205663.db2.gz GXOPZHMTHXMNJT-GOSISDBHSA-N 2 2 363.506 0.338 10 0 FCAELP COCC[NH2+]CCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000659526918 493205666 /nfs/dbraw/zinc/20/56/66/493205666.db2.gz GXOPZHMTHXMNJT-GOSISDBHSA-N 2 2 363.506 0.338 10 0 FCAELP COc1c(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cccc1C(N)=O ZINC000666636335 493209359 /nfs/dbraw/zinc/20/93/59/493209359.db2.gz PLBAYXFVYVHWOT-UHFFFAOYSA-N 2 2 351.451 0.799 10 0 FCAELP COc1c(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cccc1C(N)=O ZINC000666636335 493209367 /nfs/dbraw/zinc/20/93/67/493209367.db2.gz PLBAYXFVYVHWOT-UHFFFAOYSA-N 2 2 351.451 0.799 10 0 FCAELP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627425470 493213699 /nfs/dbraw/zinc/21/36/99/493213699.db2.gz QJEFZXWCWDEVGJ-JONQDZQNSA-N 2 2 354.495 0.057 10 0 FCAELP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627425470 493213702 /nfs/dbraw/zinc/21/37/02/493213702.db2.gz QJEFZXWCWDEVGJ-JONQDZQNSA-N 2 2 354.495 0.057 10 0 FCAELP C[C@H](NC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)c1[nH+]ccn1C ZINC000659629294 493222509 /nfs/dbraw/zinc/22/25/09/493222509.db2.gz VMRFFNLLERGWJK-ZNMIVQPWSA-N 2 2 362.478 0.771 10 0 FCAELP Cc1ccncc1CN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641354 493225145 /nfs/dbraw/zinc/22/51/45/493225145.db2.gz PNLWTMDNPXLVEL-QGZVFWFLSA-N 2 2 373.501 0.633 10 0 FCAELP Cc1ccncc1CN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641354 493225148 /nfs/dbraw/zinc/22/51/48/493225148.db2.gz PNLWTMDNPXLVEL-QGZVFWFLSA-N 2 2 373.501 0.633 10 0 FCAELP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)NCC12CC(C1)C[NH2+]2)c1cccc(F)c1 ZINC000659682958 493250056 /nfs/dbraw/zinc/25/00/56/493250056.db2.gz KZDOBIXEBGQJIT-WXYZLBAPSA-N 2 2 371.416 0.633 10 0 FCAELP [NH3+][C@@H]1CN(C(=O)C(=O)NCc2[nH+]ccn2CCc2ccccc2)CC[C@H]1F ZINC000659687236 493253793 /nfs/dbraw/zinc/25/37/93/493253793.db2.gz HOLVWGMMAFPMFJ-HZPDHXFCSA-N 2 2 373.432 0.640 10 0 FCAELP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000659691115 493256137 /nfs/dbraw/zinc/25/61/37/493256137.db2.gz HXHUYULGAKOFMV-QGZVFWFLSA-N 3 2 367.538 0.151 10 0 FCAELP CCc1noc(C)c1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682270261 493284551 /nfs/dbraw/zinc/28/45/51/493284551.db2.gz VEKUFBHXVPEQLH-ZDUSSCGKSA-N 2 2 363.462 0.769 10 0 FCAELP CCc1noc(C)c1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682270261 493284553 /nfs/dbraw/zinc/28/45/53/493284553.db2.gz VEKUFBHXVPEQLH-ZDUSSCGKSA-N 2 2 363.462 0.769 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)NC1C[C@H]3CC[C@@H](C1)[N@H+]3CC(=O)N(C)C)CC2 ZINC000673158485 493297272 /nfs/dbraw/zinc/29/72/72/493297272.db2.gz GNHFFPXHNFXDDP-MQVJKMGUSA-N 2 2 374.489 0.800 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)NC1C[C@H]3CC[C@@H](C1)[N@@H+]3CC(=O)N(C)C)CC2 ZINC000673158485 493297275 /nfs/dbraw/zinc/29/72/75/493297275.db2.gz GNHFFPXHNFXDDP-MQVJKMGUSA-N 2 2 374.489 0.800 10 0 FCAELP CCN(C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000668542652 493373624 /nfs/dbraw/zinc/37/36/24/493373624.db2.gz ORKYHGOVDCDUOM-MRXNPFEDSA-N 2 2 359.474 0.719 10 0 FCAELP CCN(C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000668542652 493373627 /nfs/dbraw/zinc/37/36/27/493373627.db2.gz ORKYHGOVDCDUOM-MRXNPFEDSA-N 2 2 359.474 0.719 10 0 FCAELP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCOC2(C[NH2+]C2)C1 ZINC000668608589 493383144 /nfs/dbraw/zinc/38/31/44/493383144.db2.gz YVSPCOUPWHGTPQ-QGZVFWFLSA-N 2 2 360.458 0.271 10 0 FCAELP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCCCCn2cc[nH+]c2)CCO1 ZINC000668612706 493383778 /nfs/dbraw/zinc/38/37/78/493383778.db2.gz XXNMOWXZUXLMLU-INIZCTEOSA-N 2 2 365.478 0.349 10 0 FCAELP CCC[NH+]1CCC(CNC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000668635060 493387822 /nfs/dbraw/zinc/38/78/22/493387822.db2.gz HNNWEMWQGJJOBV-KRWDZBQOSA-N 2 2 366.506 0.158 10 0 FCAELP CO[C@@]1(CO)CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000661393808 493433240 /nfs/dbraw/zinc/43/32/40/493433240.db2.gz XHTFNXOOTVZOLD-SFHVURJKSA-N 2 2 367.515 0.866 10 0 FCAELP CO[C@@]1(CO)CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000661393808 493433242 /nfs/dbraw/zinc/43/32/42/493433242.db2.gz XHTFNXOOTVZOLD-SFHVURJKSA-N 2 2 367.515 0.866 10 0 FCAELP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000661396944 493434709 /nfs/dbraw/zinc/43/47/09/493434709.db2.gz OEQKOYZBOJLIME-HOCLYGCPSA-N 2 2 365.522 0.854 10 0 FCAELP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000661396944 493434710 /nfs/dbraw/zinc/43/47/10/493434710.db2.gz OEQKOYZBOJLIME-HOCLYGCPSA-N 2 2 365.522 0.854 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCCCC[C@H]3C(N)=O)C2)CC1 ZINC000675102428 493467522 /nfs/dbraw/zinc/46/75/22/493467522.db2.gz ZHBVFQFPXSTAHZ-USXIJHARSA-N 2 2 365.522 0.888 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCCCC[C@H]3C(N)=O)C2)CC1 ZINC000675102428 493467524 /nfs/dbraw/zinc/46/75/24/493467524.db2.gz ZHBVFQFPXSTAHZ-USXIJHARSA-N 2 2 365.522 0.888 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCCCC[C@@H]3C(N)=O)C2)CC1 ZINC000675102426 493467643 /nfs/dbraw/zinc/46/76/43/493467643.db2.gz ZHBVFQFPXSTAHZ-BHYGNILZSA-N 2 2 365.522 0.888 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCCCC[C@@H]3C(N)=O)C2)CC1 ZINC000675102426 493467646 /nfs/dbraw/zinc/46/76/46/493467646.db2.gz ZHBVFQFPXSTAHZ-BHYGNILZSA-N 2 2 365.522 0.888 10 0 FCAELP CCN(C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000669197791 493475254 /nfs/dbraw/zinc/47/52/54/493475254.db2.gz IBYYWGIAXOBJLQ-JKSUJKDBSA-N 2 2 359.474 0.719 10 0 FCAELP CCN(C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CC[N@@H+](CC)C1 ZINC000669197791 493475257 /nfs/dbraw/zinc/47/52/57/493475257.db2.gz IBYYWGIAXOBJLQ-JKSUJKDBSA-N 2 2 359.474 0.719 10 0 FCAELP CCN(C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[C@H]1CC[N@H+](CC)C1 ZINC000669197789 493475513 /nfs/dbraw/zinc/47/55/13/493475513.db2.gz IBYYWGIAXOBJLQ-HOTGVXAUSA-N 2 2 359.474 0.719 10 0 FCAELP CCN(C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000669197789 493475517 /nfs/dbraw/zinc/47/55/17/493475517.db2.gz IBYYWGIAXOBJLQ-HOTGVXAUSA-N 2 2 359.474 0.719 10 0 FCAELP O=C(C[N@H+]1CCC(CO)(CO)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000661947145 493478171 /nfs/dbraw/zinc/47/81/71/493478171.db2.gz OFTAROJWQDVPDR-UHFFFAOYSA-N 2 2 353.488 0.069 10 0 FCAELP O=C(C[N@@H+]1CCC(CO)(CO)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000661947145 493478172 /nfs/dbraw/zinc/47/81/72/493478172.db2.gz OFTAROJWQDVPDR-UHFFFAOYSA-N 2 2 353.488 0.069 10 0 FCAELP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCC(CO)(CO)C2)CC1 ZINC000661961263 493479574 /nfs/dbraw/zinc/47/95/74/493479574.db2.gz ASZWLSAFDCIZRV-UHFFFAOYSA-N 2 2 361.486 0.316 10 0 FCAELP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCC(CO)(CO)C2)CC1 ZINC000661961263 493479576 /nfs/dbraw/zinc/47/95/76/493479576.db2.gz ASZWLSAFDCIZRV-UHFFFAOYSA-N 2 2 361.486 0.316 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000675518926 493486638 /nfs/dbraw/zinc/48/66/38/493486638.db2.gz ITBPTYXUUMTBQA-SFHVURJKSA-N 2 2 373.501 0.669 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000675518926 493486641 /nfs/dbraw/zinc/48/66/41/493486641.db2.gz ITBPTYXUUMTBQA-SFHVURJKSA-N 2 2 373.501 0.669 10 0 FCAELP NC(=O)c1cccc2c1CC[N@H+](CC(=O)NC1CC[NH+](C3CC3)CC1)C2 ZINC000662300028 493504680 /nfs/dbraw/zinc/50/46/80/493504680.db2.gz KWDSVSVUFXEFFR-UHFFFAOYSA-N 2 2 356.470 0.887 10 0 FCAELP NC(=O)c1cccc2c1CC[N@@H+](CC(=O)NC1CC[NH+](C3CC3)CC1)C2 ZINC000662300028 493504684 /nfs/dbraw/zinc/50/46/84/493504684.db2.gz KWDSVSVUFXEFFR-UHFFFAOYSA-N 2 2 356.470 0.887 10 0 FCAELP O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cnnn1C1CC[NH2+]CC1 ZINC000662387671 493511584 /nfs/dbraw/zinc/51/15/84/493511584.db2.gz LDGGDTBBCJVDQU-UHFFFAOYSA-N 2 2 355.446 0.996 10 0 FCAELP CC(C)(CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[NH+]1CCOCC1 ZINC000676088979 493522397 /nfs/dbraw/zinc/52/23/97/493522397.db2.gz DSHIHZNLOGZMRI-UHFFFAOYSA-N 2 2 372.429 0.433 10 0 FCAELP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000676093395 493523441 /nfs/dbraw/zinc/52/34/41/493523441.db2.gz SFHYTILIXVPFBB-UHFFFAOYSA-N 2 2 354.414 0.760 10 0 FCAELP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662929480 493555095 /nfs/dbraw/zinc/55/50/95/493555095.db2.gz BMUTYARHWYWOQO-UHFFFAOYSA-N 2 2 359.352 0.354 10 0 FCAELP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662940349 493557199 /nfs/dbraw/zinc/55/71/99/493557199.db2.gz MGMTVWZJYWFCDS-KRWDZBQOSA-N 2 2 361.490 0.970 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](CO)[C@H](O)C2)CC1 ZINC000676555053 493558753 /nfs/dbraw/zinc/55/87/53/493558753.db2.gz DFJXHWZOLWPMPS-BHIYHBOVSA-N 2 2 361.486 0.567 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](CO)[C@H](O)C2)CC1 ZINC000676555053 493558757 /nfs/dbraw/zinc/55/87/57/493558757.db2.gz DFJXHWZOLWPMPS-BHIYHBOVSA-N 2 2 361.486 0.567 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000662982646 493563860 /nfs/dbraw/zinc/56/38/60/493563860.db2.gz DHXKOMPRYTUSID-ZBFHGGJFSA-N 2 2 359.474 0.624 10 0 FCAELP CN(C1CC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1)S(C)(=O)=O ZINC000676631826 493563999 /nfs/dbraw/zinc/56/39/99/493563999.db2.gz GJQRHSILXFRUON-GOSISDBHSA-N 2 2 369.531 0.835 10 0 FCAELP CN(C1CC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1)S(C)(=O)=O ZINC000676631826 493564000 /nfs/dbraw/zinc/56/40/00/493564000.db2.gz GJQRHSILXFRUON-GOSISDBHSA-N 2 2 369.531 0.835 10 0 FCAELP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]C[C@H](O)CN2CCOCC2)C1 ZINC000663372246 493585477 /nfs/dbraw/zinc/58/54/77/493585477.db2.gz HSOXHIPKZNEMED-PMACEKPBSA-N 2 2 362.518 0.085 10 0 FCAELP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]C[C@H](O)CN2CCOCC2)C1 ZINC000663372246 493585478 /nfs/dbraw/zinc/58/54/78/493585478.db2.gz HSOXHIPKZNEMED-PMACEKPBSA-N 2 2 362.518 0.085 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCC[C@H]3CCCO3)CC2)CC1 ZINC000670820418 493600782 /nfs/dbraw/zinc/60/07/82/493600782.db2.gz FMJHKSSOYAVWCV-QGZVFWFLSA-N 2 2 366.506 0.347 10 0 FCAELP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000671032248 493624741 /nfs/dbraw/zinc/62/47/41/493624741.db2.gz PUJIHTHOZWWHBR-SFHVURJKSA-N 2 2 374.485 0.518 10 0 FCAELP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000671032248 493624744 /nfs/dbraw/zinc/62/47/44/493624744.db2.gz PUJIHTHOZWWHBR-SFHVURJKSA-N 2 2 374.485 0.518 10 0 FCAELP C[C@H](NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000664006632 493629851 /nfs/dbraw/zinc/62/98/51/493629851.db2.gz JPEGYXRHGSOMFY-YESZJQIVSA-N 2 2 356.511 0.848 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000664058755 493633154 /nfs/dbraw/zinc/63/31/54/493633154.db2.gz BHNYAUXVLISWIK-QGZVFWFLSA-N 2 2 361.490 0.975 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000664058755 493633156 /nfs/dbraw/zinc/63/31/56/493633156.db2.gz BHNYAUXVLISWIK-QGZVFWFLSA-N 2 2 361.490 0.975 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000664194786 493644114 /nfs/dbraw/zinc/64/41/14/493644114.db2.gz HNWXGANJYMZWTP-HNNXBMFYSA-N 3 2 363.510 0.439 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000664194786 493644115 /nfs/dbraw/zinc/64/41/15/493644115.db2.gz HNWXGANJYMZWTP-HNNXBMFYSA-N 3 2 363.510 0.439 10 0 FCAELP C[NH+]1CCC(CNC(=O)N2CCC(O)(CO)CC2)([NH+]2CCCCC2)CC1 ZINC000664231888 493646429 /nfs/dbraw/zinc/64/64/29/493646429.db2.gz BJGXNXDLVRWDBV-UHFFFAOYSA-N 2 2 368.522 0.466 10 0 FCAELP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000678668151 493653746 /nfs/dbraw/zinc/65/37/46/493653746.db2.gz OACGCADKQZEQFC-MRXNPFEDSA-N 2 2 371.441 0.986 10 0 FCAELP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000678668151 493653748 /nfs/dbraw/zinc/65/37/48/493653748.db2.gz OACGCADKQZEQFC-MRXNPFEDSA-N 2 2 371.441 0.986 10 0 FCAELP CCN(C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)[C@@H]1CC[N@H+](C)C1 ZINC000664631994 493673954 /nfs/dbraw/zinc/67/39/54/493673954.db2.gz OADUNDZCYQTVBJ-HUUCEWRRSA-N 2 2 362.478 0.647 10 0 FCAELP CCN(C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)[C@@H]1CC[N@@H+](C)C1 ZINC000664631994 493673955 /nfs/dbraw/zinc/67/39/55/493673955.db2.gz OADUNDZCYQTVBJ-HUUCEWRRSA-N 2 2 362.478 0.647 10 0 FCAELP CC(=O)Nc1ccc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000664776446 493683371 /nfs/dbraw/zinc/68/33/71/493683371.db2.gz WHCLDYDGTFHMLJ-UHFFFAOYSA-N 2 2 350.467 0.723 10 0 FCAELP CC(=O)Nc1ccc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)cn1 ZINC000664776446 493683373 /nfs/dbraw/zinc/68/33/73/493683373.db2.gz WHCLDYDGTFHMLJ-UHFFFAOYSA-N 2 2 350.467 0.723 10 0 FCAELP Cn1nccc1[C@@H]1C[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)CCO1 ZINC000665047639 493696872 /nfs/dbraw/zinc/69/68/72/493696872.db2.gz FJUIWSACQFSRRN-RDJZCZTQSA-N 2 2 366.510 0.823 10 0 FCAELP Cn1nccc1[C@@H]1C[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000665047639 493696874 /nfs/dbraw/zinc/69/68/74/493696874.db2.gz FJUIWSACQFSRRN-RDJZCZTQSA-N 2 2 366.510 0.823 10 0 FCAELP O=C(N1CCC[N@H+](C[C@H]2CCCO2)CC1)C1([NH+]2CCOCC2)CCC1 ZINC000679883283 493699155 /nfs/dbraw/zinc/69/91/55/493699155.db2.gz MSUZRZSMGQVUJE-QGZVFWFLSA-N 2 2 351.491 0.955 10 0 FCAELP O=C(N1CCC[N@@H+](C[C@H]2CCCO2)CC1)C1([NH+]2CCOCC2)CCC1 ZINC000679883283 493699156 /nfs/dbraw/zinc/69/91/56/493699156.db2.gz MSUZRZSMGQVUJE-QGZVFWFLSA-N 2 2 351.491 0.955 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1=O ZINC000679952070 493702816 /nfs/dbraw/zinc/70/28/16/493702816.db2.gz FRXVAIZITGKLAP-XHSDSOJGSA-N 2 2 374.489 0.837 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1=O 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10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C[C@H]1CC[NH3+] ZINC001334822770 1267190070 /nfs/dbraw/zinc/19/00/70/1267190070.db2.gz ILQQBJUMTAHUTC-OWCLPIDISA-N 2 2 361.490 0.645 10 0 FCAELP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3C[NH+](C)Cc4ccccc43)C[C@]2(C)C1 ZINC001334842111 1267197634 /nfs/dbraw/zinc/19/76/34/1267197634.db2.gz WBDNWFGXJRWPEP-SYNHAJSKSA-N 2 2 356.470 0.699 10 0 FCAELP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3C[NH+](C)Cc4ccccc43)C[C@]2(C)C1 ZINC001334842111 1267197638 /nfs/dbraw/zinc/19/76/38/1267197638.db2.gz WBDNWFGXJRWPEP-SYNHAJSKSA-N 2 2 356.470 0.699 10 0 FCAELP C[NH+]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3C[N@H+](C)Cc4ccccc43)C[C@]2(C)C1 ZINC001334842111 1267197642 /nfs/dbraw/zinc/19/76/42/1267197642.db2.gz WBDNWFGXJRWPEP-SYNHAJSKSA-N 2 2 356.470 0.699 10 0 FCAELP C[NH+]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3C[N@@H+](C)Cc4ccccc43)C[C@]2(C)C1 ZINC001334842111 1267197649 /nfs/dbraw/zinc/19/76/49/1267197649.db2.gz WBDNWFGXJRWPEP-SYNHAJSKSA-N 2 2 356.470 0.699 10 0 FCAELP 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C[C@@H]1[C@H](C(=O)NC2(CCO)C[NH+](CCOc3ccccc3)C2)CC[N@H+]1C ZINC001734071252 1288640684 /nfs/dbraw/zinc/64/06/84/1288640684.db2.gz VZRCFHVWQNBOHR-SJLPKXTDSA-N 2 2 361.486 0.959 10 0 FCAELP CCCNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001734216134 1288645667 /nfs/dbraw/zinc/64/56/67/1288645667.db2.gz QXYGVPHNLSJLBW-RFBLXINOSA-N 2 2 361.490 0.923 10 0 FCAELP CC(C)c1nnc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001734366458 1288651401 /nfs/dbraw/zinc/65/14/01/1288651401.db2.gz PFVWVUFASVYZRA-JHJVBQTASA-N 2 2 355.508 0.568 10 0 FCAELP CC(C)c1nnc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001734366458 1288651402 /nfs/dbraw/zinc/65/14/02/1288651402.db2.gz PFVWVUFASVYZRA-JHJVBQTASA-N 2 2 355.508 0.568 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2nnc(C(C)(C)C)[nH]2)CC[N@@H+]1C ZINC001734370695 1288652067 /nfs/dbraw/zinc/65/20/67/1288652067.db2.gz YNLFCCFMZHFTBB-HZSPNIEDSA-N 2 2 366.510 0.399 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2nnc(C(C)(C)C)[nH]2)CC[N@H+]1C ZINC001734370695 1288652074 /nfs/dbraw/zinc/65/20/74/1288652074.db2.gz YNLFCCFMZHFTBB-HZSPNIEDSA-N 2 2 366.510 0.399 10 0 FCAELP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001735853668 1288952710 /nfs/dbraw/zinc/95/27/10/1288952710.db2.gz SVVPQTKVFRMVPN-KLHDSHLOSA-N 2 2 373.501 0.829 10 0 FCAELP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001736370233 1289288094 /nfs/dbraw/zinc/28/80/94/1289288094.db2.gz HZWPOMKJAROVJG-DJIMGWMZSA-N 2 2 359.474 0.436 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC2(CCO)C[NH+](CCc3ccnn3C)C2)CC[N@@H+]1C ZINC001700490695 1289595961 /nfs/dbraw/zinc/59/59/61/1289595961.db2.gz HCGKVKHPXFGBAK-DLBZAZTESA-N 2 2 363.506 0.246 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC2(CCO)C[NH+](CCc3ccnn3C)C2)CC[N@H+]1C ZINC001700490695 1289595968 /nfs/dbraw/zinc/59/59/68/1289595968.db2.gz HCGKVKHPXFGBAK-DLBZAZTESA-N 2 2 363.506 0.246 10 0 FCAELP CC[NH+](CC)CC(=O)N1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001737849849 1289598086 /nfs/dbraw/zinc/59/80/86/1289598086.db2.gz GFRQOKJVAJFGNU-ARFHVFGLSA-N 2 2 361.490 0.973 10 0 FCAELP CC(C)c1noc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001700936581 1289617956 /nfs/dbraw/zinc/61/79/56/1289617956.db2.gz HIAYFXHOJKLFOX-MGPQQGTHSA-N 2 2 353.467 0.442 10 0 FCAELP CC(C)c1noc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001700936581 1289617959 /nfs/dbraw/zinc/61/79/59/1289617959.db2.gz HIAYFXHOJKLFOX-MGPQQGTHSA-N 2 2 353.467 0.442 10 0 FCAELP C[C@@H]1[C@H](C(=O)N2CCC(CCNC(=O)Cn3cc[nH+]c3)CC2)CC[N@@H+]1C ZINC001738208644 1289643734 /nfs/dbraw/zinc/64/37/34/1289643734.db2.gz YNSKEWVSSUNPFJ-NVXWUHKLSA-N 2 2 361.490 0.968 10 0 FCAELP C[C@@H]1[C@H](C(=O)N2CCC(CCNC(=O)Cn3cc[nH+]c3)CC2)CC[N@H+]1C ZINC001738208644 1289643745 /nfs/dbraw/zinc/64/37/45/1289643745.db2.gz YNSKEWVSSUNPFJ-NVXWUHKLSA-N 2 2 361.490 0.968 10 0 FCAELP COc1cc[nH+]cc1CC(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001738684927 1289716868 /nfs/dbraw/zinc/71/68/68/1289716868.db2.gz IAGKCCIPJYSXHQ-VNQPRFMTSA-N 2 2 360.458 0.690 10 0 FCAELP COc1cc[nH+]cc1CC(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001738684927 1289716880 /nfs/dbraw/zinc/71/68/80/1289716880.db2.gz IAGKCCIPJYSXHQ-VNQPRFMTSA-N 2 2 360.458 0.690 10 0 FCAELP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H]1C ZINC001750927076 1290606617 /nfs/dbraw/zinc/60/66/17/1290606617.db2.gz JNDRKIJMDBOJGV-ILXRZTDVSA-N 2 2 367.494 0.286 10 0 FCAELP CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H]1C ZINC001750927076 1290606624 /nfs/dbraw/zinc/60/66/24/1290606624.db2.gz JNDRKIJMDBOJGV-ILXRZTDVSA-N 2 2 367.494 0.286 10 0 FCAELP CCNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@H]1C ZINC001750927076 1290606627 /nfs/dbraw/zinc/60/66/27/1290606627.db2.gz JNDRKIJMDBOJGV-ILXRZTDVSA-N 2 2 367.494 0.286 10 0 FCAELP CCNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@H]1C ZINC001750927076 1290606636 /nfs/dbraw/zinc/60/66/36/1290606636.db2.gz JNDRKIJMDBOJGV-ILXRZTDVSA-N 2 2 367.494 0.286 10 0 FCAELP CCO[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C[NH2+]C[C@@H](C)O ZINC001656478501 1291530040 /nfs/dbraw/zinc/53/00/40/1291530040.db2.gz RRAFAHXWJSQYEG-BZUAXINKSA-N 2 2 352.479 0.761 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCOCCO)C1 ZINC001661818956 1291710901 /nfs/dbraw/zinc/71/09/01/1291710901.db2.gz UNKVMAWNUACBHF-BZUAXINKSA-N 2 2 350.463 0.361 10 0 FCAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CC(=O)NCc1cccs1 ZINC001662250022 1291718312 /nfs/dbraw/zinc/71/83/12/1291718312.db2.gz UXOLQZNJVZRVGL-MRVWCRGKSA-N 2 2 361.471 0.985 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC(=O)NCc2ccco2)CC[N@@H+]1C ZINC001663498585 1291754551 /nfs/dbraw/zinc/75/45/51/1291754551.db2.gz UQEJDKDIUOBPKX-HLLBOEOZSA-N 2 2 362.474 0.817 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC(=O)NCc2ccco2)CC[N@H+]1C ZINC001663498585 1291754557 /nfs/dbraw/zinc/75/45/57/1291754557.db2.gz UQEJDKDIUOBPKX-HLLBOEOZSA-N 2 2 362.474 0.817 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NCc2ccco2)CC[NH+]1C ZINC001663498585 1291754563 /nfs/dbraw/zinc/75/45/63/1291754563.db2.gz UQEJDKDIUOBPKX-HLLBOEOZSA-N 2 2 362.474 0.817 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NCc2ccco2)CC[NH+]1C ZINC001663498585 1291754568 /nfs/dbraw/zinc/75/45/68/1291754568.db2.gz UQEJDKDIUOBPKX-HLLBOEOZSA-N 2 2 362.474 0.817 10 0 FCAELP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001663991971 1291779776 /nfs/dbraw/zinc/77/97/76/1291779776.db2.gz GIFXAZUORGUKGW-JHJVBQTASA-N 2 2 364.450 0.184 10 0 FCAELP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CC(=O)NCC(F)(F)F ZINC001665805723 1291882630 /nfs/dbraw/zinc/88/26/30/1291882630.db2.gz YPVFJSPCBPCLSB-GMTAPVOTSA-N 2 2 361.368 0.676 10 0 FCAELP Cc1cc(NC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)on1 ZINC001668097288 1291956496 /nfs/dbraw/zinc/95/64/96/1291956496.db2.gz TXQNSSPYGSVWDK-CYZMBNFOSA-N 2 2 360.418 0.933 10 0 FCAELP CCN(CC[NH2+]C[C@@H]1CCOC1)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001668507205 1291967104 /nfs/dbraw/zinc/96/71/04/1291967104.db2.gz ZWECGNVHYBNFIL-KSZLIROESA-N 2 2 369.506 0.341 10 0 FCAELP CC1(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC[NH+](CCO)CC1 ZINC001671847247 1292049202 /nfs/dbraw/zinc/04/92/02/1292049202.db2.gz XNUJVFCDLOTDCF-SJORKVTESA-N 2 2 369.506 0.077 10 0 FCAELP Cc1nnc(C[NH2+]CC[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)[nH]1 ZINC001672863031 1292094883 /nfs/dbraw/zinc/09/48/83/1292094883.db2.gz CMKWXRKLLVSBLW-RRFJBIMHSA-N 2 2 357.462 0.979 10 0 FCAELP COCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCO1 ZINC001673316680 1292104066 /nfs/dbraw/zinc/10/40/66/1292104066.db2.gz HAHNOUVHRGQVFU-BZUAXINKSA-N 2 2 350.463 0.767 10 0 FCAELP CN(CC(C)(C)C[NH2+][C@@H]1CCCNC1=O)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001674860559 1292155732 /nfs/dbraw/zinc/15/57/32/1292155732.db2.gz DKKYDTXEMSHAHX-RBSFLKMASA-N 2 2 361.490 0.876 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001685393254 1292526253 /nfs/dbraw/zinc/52/62/53/1292526253.db2.gz WOOPPMBCCMVCHW-OWCLPIDISA-N 2 2 368.522 0.401 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001685393254 1292526260 /nfs/dbraw/zinc/52/62/60/1292526260.db2.gz WOOPPMBCCMVCHW-OWCLPIDISA-N 2 2 368.522 0.401 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001685393254 1292526263 /nfs/dbraw/zinc/52/62/63/1292526263.db2.gz WOOPPMBCCMVCHW-OWCLPIDISA-N 2 2 368.522 0.401 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001685393254 1292526271 /nfs/dbraw/zinc/52/62/71/1292526271.db2.gz WOOPPMBCCMVCHW-OWCLPIDISA-N 2 2 368.522 0.401 10 0 FCAELP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000828637466 836541585 /nfs/dbraw/zinc/54/15/85/836541585.db2.gz YLEJKWAEUDHVRR-SJLPKXTDSA-N 2 2 353.507 0.840 10 0 FCAELP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000828637466 836541588 /nfs/dbraw/zinc/54/15/88/836541588.db2.gz YLEJKWAEUDHVRR-SJLPKXTDSA-N 2 2 353.507 0.840 10 0 FCAELP CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)NCC[NH+]3CCC([NH3+])CC3)[C@H]2C1 ZINC001120536232 848236876 /nfs/dbraw/zinc/23/68/76/848236876.db2.gz KHTOGRQPZVBXNW-BHYGNILZSA-N 2 2 351.495 0.356 10 0 FCAELP CC(C)[C@@H](C(=O)N1CCN(C2C[NH+](C)C2)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001123934718 848657076 /nfs/dbraw/zinc/65/70/76/848657076.db2.gz AHHCVDNDOWSQSK-NUJGCVRESA-N 2 2 352.523 0.578 10 0 FCAELP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H]2CCC[C@@]3(CCOC3)O2)CC1 ZINC001168331411 850582954 /nfs/dbraw/zinc/58/29/54/850582954.db2.gz FYUZUGGBKKGOFM-LMMKCTJWSA-N 2 2 351.491 0.953 10 0 FCAELP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H]2CCC[C@@]3(CCOC3)O2)CC1 ZINC001168331411 850582960 /nfs/dbraw/zinc/58/29/60/850582960.db2.gz FYUZUGGBKKGOFM-LMMKCTJWSA-N 2 2 351.491 0.953 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[NH+](Cc3nccs3)C2)CC[N@@H+]1C ZINC001278781232 862473468 /nfs/dbraw/zinc/47/34/68/862473468.db2.gz GBVKDDYLTFFWIO-VBQJREDUSA-N 2 2 352.504 0.926 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[NH+](Cc3nccs3)C2)CC[N@H+]1C ZINC001278781232 862473472 /nfs/dbraw/zinc/47/34/72/862473472.db2.gz GBVKDDYLTFFWIO-VBQJREDUSA-N 2 2 352.504 0.926 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](Cc3nccs3)C2)CC[NH+]1C ZINC001278781232 862473482 /nfs/dbraw/zinc/47/34/82/862473482.db2.gz GBVKDDYLTFFWIO-VBQJREDUSA-N 2 2 352.504 0.926 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](Cc3nccs3)C2)CC[NH+]1C ZINC001278781232 862473490 /nfs/dbraw/zinc/47/34/90/862473490.db2.gz GBVKDDYLTFFWIO-VBQJREDUSA-N 2 2 352.504 0.926 10 0 FCAELP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC001261489356 858567391 /nfs/dbraw/zinc/56/73/91/858567391.db2.gz SNOJQHZJRAGVDI-STQMWFEESA-N 2 2 354.838 0.797 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[C@@H]2C[NH+](C)C[C@H]12 ZINC001263782264 859211658 /nfs/dbraw/zinc/21/16/58/859211658.db2.gz BUCNUHNSTODRRB-BPQIPLTHSA-N 3 2 351.539 0.994 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[C@@H]2C[NH+](C)C[C@H]12 ZINC001263782264 859211669 /nfs/dbraw/zinc/21/16/69/859211669.db2.gz BUCNUHNSTODRRB-BPQIPLTHSA-N 3 2 351.539 0.994 10 0 FCAELP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001263782264 859211683 /nfs/dbraw/zinc/21/16/83/859211683.db2.gz BUCNUHNSTODRRB-BPQIPLTHSA-N 3 2 351.539 0.994 10 0 FCAELP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001263782264 859211693 /nfs/dbraw/zinc/21/16/93/859211693.db2.gz BUCNUHNSTODRRB-BPQIPLTHSA-N 3 2 351.539 0.994 10 0 FCAELP 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213116113 /nfs/dbraw/zinc/11/61/13/213116113.db2.gz RMWSKQIBABXDJS-OAHLLOKOSA-N 2 2 350.488 0.774 10 0 FCAELP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000283832937 213015491 /nfs/dbraw/zinc/01/54/91/213015491.db2.gz AHPYUMUSLSWCPQ-CVEARBPZSA-N 2 2 370.457 0.873 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)CC1 ZINC000412054972 237145050 /nfs/dbraw/zinc/14/50/50/237145050.db2.gz NPRFRHJTGGPHAX-BHIYHBOVSA-N 2 2 361.486 0.567 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)CC1 ZINC000412054972 237145063 /nfs/dbraw/zinc/14/50/63/237145063.db2.gz NPRFRHJTGGPHAX-BHIYHBOVSA-N 2 2 361.486 0.567 10 0 FCAELP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000367341163 216110060 /nfs/dbraw/zinc/11/00/60/216110060.db2.gz FOOPNXAHPCFKLF-KRWDZBQOSA-N 2 2 352.523 0.726 10 0 FCAELP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000367341163 216110064 /nfs/dbraw/zinc/11/00/64/216110064.db2.gz FOOPNXAHPCFKLF-KRWDZBQOSA-N 2 2 352.523 0.726 10 0 FCAELP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](C)[NH+]2CCOCC2)CC1=O ZINC000246342300 209385512 /nfs/dbraw/zinc/38/55/12/209385512.db2.gz BZYPZAIXPHSLNS-GVDBMIGSSA-N 2 2 366.506 0.156 10 0 FCAELP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](C)[NH+]2CCOCC2)CC1=O ZINC000246342300 209385515 /nfs/dbraw/zinc/38/55/15/209385515.db2.gz BZYPZAIXPHSLNS-GVDBMIGSSA-N 2 2 366.506 0.156 10 0 FCAELP Cc1cc(N2CC[C@@H]([N@@H+]3CCCC[C@@H](N4CC[NH+](C)CC4)C3)C2=O)n(C)n1 ZINC000245601792 209371109 /nfs/dbraw/zinc/37/11/09/209371109.db2.gz IYTRCZXUCUKFMO-QZTJIDSGSA-N 2 2 374.533 0.936 10 0 FCAELP Cc1cc(N2CC[C@@H]([N@H+]3CCCC[C@@H](N4CC[NH+](C)CC4)C3)C2=O)n(C)n1 ZINC000245601792 209371116 /nfs/dbraw/zinc/37/11/16/209371116.db2.gz IYTRCZXUCUKFMO-QZTJIDSGSA-N 2 2 374.533 0.936 10 0 FCAELP CNc1cc(N2CCC[C@H]2CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)nc[nH+]1 ZINC000245497536 209367382 /nfs/dbraw/zinc/36/73/82/209367382.db2.gz UJMWDUPFDQEBIT-GJZGRUSLSA-N 2 2 359.478 0.977 10 0 FCAELP CNc1cc(N2CCC[C@H]2CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)nc[nH+]1 ZINC000245497536 209367385 /nfs/dbraw/zinc/36/73/85/209367385.db2.gz UJMWDUPFDQEBIT-GJZGRUSLSA-N 2 2 359.478 0.977 10 0 FCAELP CNc1cc(N2CCC[C@H]2CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)[nH+]cn1 ZINC000245497536 209367387 /nfs/dbraw/zinc/36/73/87/209367387.db2.gz UJMWDUPFDQEBIT-GJZGRUSLSA-N 2 2 359.478 0.977 10 0 FCAELP CNc1cc(N2CCC[C@H]2CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)[nH+]cn1 ZINC000245497536 209367390 /nfs/dbraw/zinc/36/73/90/209367390.db2.gz UJMWDUPFDQEBIT-GJZGRUSLSA-N 2 2 359.478 0.977 10 0 FCAELP CN1C(=O)C[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000192153207 209297515 /nfs/dbraw/zinc/29/75/15/209297515.db2.gz AWFGPDXTAVYVJX-CRAIPNDOSA-N 2 2 364.877 0.975 10 0 FCAELP COC(=O)[C@H]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@H]1C ZINC000191295494 209284659 /nfs/dbraw/zinc/28/46/59/209284659.db2.gz MPEOXIDDAKGHMT-ZBFHGGJFSA-N 2 2 354.495 0.853 10 0 FCAELP C[C@@H](O)CN(C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[C@H](C)CO 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FZNISMISNFGLJV-INIZCTEOSA-N 2 2 352.523 0.724 10 0 FCAELP CO[C@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1cnn(C)c1 ZINC000374254034 217113955 /nfs/dbraw/zinc/11/39/55/217113955.db2.gz CDGXHPLTORQFPG-WFFDWFOESA-N 2 2 361.490 0.877 10 0 FCAELP CO[C@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1cnn(C)c1 ZINC000374254034 217113958 /nfs/dbraw/zinc/11/39/58/217113958.db2.gz CDGXHPLTORQFPG-WFFDWFOESA-N 2 2 361.490 0.877 10 0 FCAELP C[C@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC(=O)N1C ZINC000374346234 217120982 /nfs/dbraw/zinc/12/09/82/217120982.db2.gz HHHUXVGWAVNOSO-INIZCTEOSA-N 2 2 365.522 0.809 10 0 FCAELP C[NH+]1CCN(C(=O)CC[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000374775270 217170321 /nfs/dbraw/zinc/17/03/21/217170321.db2.gz HSROZQLSTXQJRR-SFHVURJKSA-N 3 2 351.539 0.252 10 0 FCAELP C[C@@H]1CCOCC[N@@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000374988405 217200373 /nfs/dbraw/zinc/20/03/73/217200373.db2.gz NWTWARIAKBSWJR-CQSZACIVSA-N 2 2 373.461 0.123 10 0 FCAELP C[C@@H]1CCOCC[N@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000374988405 217200377 /nfs/dbraw/zinc/20/03/77/217200377.db2.gz NWTWARIAKBSWJR-CQSZACIVSA-N 2 2 373.461 0.123 10 0 FCAELP Cn1c(CN2CC[NH2+]CC2)nc2cc(C(=O)N3CC[NH+](C)CC3)ccc21 ZINC000049455923 205172195 /nfs/dbraw/zinc/17/21/95/205172195.db2.gz FNXNESGCSIWMTF-UHFFFAOYSA-N 2 2 356.474 0.366 10 0 FCAELP CNC(=O)C[N@H+]1CCCN(CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000375680981 217297206 /nfs/dbraw/zinc/29/72/06/217297206.db2.gz TUPIUTYAZTWLDO-UHFFFAOYSA-N 2 2 373.545 0.952 10 0 FCAELP CCCC[C@@H](C[NH3+])NC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000417995549 245743741 /nfs/dbraw/zinc/74/37/41/245743741.db2.gz QEEHKOOYPGJVQL-KBPBESRZSA-N 2 2 350.467 0.728 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)n1 ZINC000931668020 674129920 /nfs/dbraw/zinc/12/99/20/674129920.db2.gz NJBQKZAOYJQMRT-CYBMUJFWSA-N 2 2 367.519 0.810 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)n1 ZINC000931668020 674129921 /nfs/dbraw/zinc/12/99/21/674129921.db2.gz NJBQKZAOYJQMRT-CYBMUJFWSA-N 2 2 367.519 0.810 10 0 FCAELP C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C[C@@H]1C[NH3+] ZINC000419634726 246224431 /nfs/dbraw/zinc/22/44/31/246224431.db2.gz FGBSZZSHXWZPNP-QAPCUYQASA-N 2 2 369.469 0.991 10 0 FCAELP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419716020 246268272 /nfs/dbraw/zinc/26/82/72/246268272.db2.gz WQMDIRPPHILNNW-ZDUSSCGKSA-N 2 2 350.850 0.292 10 0 FCAELP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419716020 246268276 /nfs/dbraw/zinc/26/82/76/246268276.db2.gz WQMDIRPPHILNNW-ZDUSSCGKSA-N 2 2 350.850 0.292 10 0 FCAELP [NH3+][C@H](CNC(=O)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000419875142 246341574 /nfs/dbraw/zinc/34/15/74/246341574.db2.gz WJBWZZNWZNCEOI-GOEBONIOSA-N 2 2 359.474 0.779 10 0 FCAELP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)s1 ZINC000419879974 246345502 /nfs/dbraw/zinc/34/55/02/246345502.db2.gz ZZFUEUQBQZTZAE-INIZCTEOSA-N 2 2 364.515 0.808 10 0 FCAELP C[NH2+]C1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000423013089 246945925 /nfs/dbraw/zinc/94/59/25/246945925.db2.gz MAEQETJFCYUCTL-UHFFFAOYSA-N 2 2 358.486 0.850 10 0 FCAELP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000423364103 247011241 /nfs/dbraw/zinc/01/12/41/247011241.db2.gz JLBWXATYRYXBCH-UHFFFAOYSA-N 2 2 366.506 0.158 10 0 FCAELP O=C(C(=O)N1CCC2(CC[NH2+]C2)CC1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000423385929 247018162 /nfs/dbraw/zinc/01/81/62/247018162.db2.gz RKVNJGILTCZTNS-MRXNPFEDSA-N 2 2 358.442 0.663 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000423489611 247036061 /nfs/dbraw/zinc/03/60/61/247036061.db2.gz XLMYFYDZIJXNKM-MRXNPFEDSA-N 2 2 361.490 0.870 10 0 FCAELP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CC1 ZINC000423673379 247105544 /nfs/dbraw/zinc/10/55/44/247105544.db2.gz ONKSZFDZTLZXJB-KRWDZBQOSA-N 2 2 359.474 0.355 10 0 FCAELP C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000443030365 248304014 /nfs/dbraw/zinc/30/40/14/248304014.db2.gz UILXHAKOBRDUKV-INIZCTEOSA-N 2 2 352.460 0.522 10 0 FCAELP C[NH+]1CCN(CCNS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CC1 ZINC000443221700 248312421 /nfs/dbraw/zinc/31/24/21/248312421.db2.gz JTWLRFRIFGGAND-UHFFFAOYSA-N 2 2 363.487 0.457 10 0 FCAELP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000270584250 211228933 /nfs/dbraw/zinc/22/89/33/211228933.db2.gz DCQCWCPDKXJENJ-OIISXLGYSA-N 2 2 359.474 0.508 10 0 FCAELP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000270584250 211228934 /nfs/dbraw/zinc/22/89/34/211228934.db2.gz DCQCWCPDKXJENJ-OIISXLGYSA-N 2 2 359.474 0.508 10 0 FCAELP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](NC(N)=O)C1 ZINC000270584250 211228935 /nfs/dbraw/zinc/22/89/35/211228935.db2.gz DCQCWCPDKXJENJ-OIISXLGYSA-N 2 2 359.474 0.508 10 0 FCAELP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](NC(N)=O)C1 ZINC000270584250 211228936 /nfs/dbraw/zinc/22/89/36/211228936.db2.gz DCQCWCPDKXJENJ-OIISXLGYSA-N 2 2 359.474 0.508 10 0 FCAELP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000472466777 250150471 /nfs/dbraw/zinc/15/04/71/250150471.db2.gz WWCAZHAIEQTOKU-ZBFHGGJFSA-N 2 2 350.507 0.776 10 0 FCAELP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000472466777 250150477 /nfs/dbraw/zinc/15/04/77/250150477.db2.gz WWCAZHAIEQTOKU-ZBFHGGJFSA-N 2 2 350.507 0.776 10 0 FCAELP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000472466777 250150481 /nfs/dbraw/zinc/15/04/81/250150481.db2.gz WWCAZHAIEQTOKU-ZBFHGGJFSA-N 2 2 350.507 0.776 10 0 FCAELP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000472466777 250150487 /nfs/dbraw/zinc/15/04/87/250150487.db2.gz WWCAZHAIEQTOKU-ZBFHGGJFSA-N 2 2 350.507 0.776 10 0 FCAELP C[NH+](C)CCN1C[C@H](C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CC1=O ZINC000073104559 208046410 /nfs/dbraw/zinc/04/64/10/208046410.db2.gz QMCUZCCAHGCDRJ-OAHLLOKOSA-N 2 2 356.430 0.294 10 0 FCAELP C[C@H]1C(=O)NCCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000074767858 208057754 /nfs/dbraw/zinc/05/77/54/208057754.db2.gz NNBYDHOIOPNOER-HNNXBMFYSA-N 2 2 351.495 0.467 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000097000103 208160183 /nfs/dbraw/zinc/16/01/83/208160183.db2.gz WWIKPVUYNZYECM-UHFFFAOYSA-N 2 2 368.503 0.432 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000097000103 208160188 /nfs/dbraw/zinc/16/01/88/208160188.db2.gz WWIKPVUYNZYECM-UHFFFAOYSA-N 2 2 368.503 0.432 10 0 FCAELP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCC[C@H]3CN3CCOCC3)cn2)CC1 ZINC000093011909 208150207 /nfs/dbraw/zinc/15/02/07/208150207.db2.gz UQOIMOWUISOQAJ-IBGZPJMESA-N 2 2 374.533 0.915 10 0 FCAELP C[NH+]1CCN(c2ncc(C[N@H+]3CCCC[C@H]3CN3CCOCC3)cn2)CC1 ZINC000093011909 208150217 /nfs/dbraw/zinc/15/02/17/208150217.db2.gz UQOIMOWUISOQAJ-IBGZPJMESA-N 2 2 374.533 0.915 10 0 FCAELP C[NH+]1CCN(c2ncc(CN3CCCC[C@H]3C[NH+]3CCOCC3)cn2)CC1 ZINC000093011909 208150223 /nfs/dbraw/zinc/15/02/23/208150223.db2.gz UQOIMOWUISOQAJ-IBGZPJMESA-N 2 2 374.533 0.915 10 0 FCAELP CC(C)[C@H](C)NC(=O)C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106123036 208209073 /nfs/dbraw/zinc/20/90/73/208209073.db2.gz VQXQJOSDFADZGQ-ROUUACIJSA-N 2 2 354.539 0.874 10 0 FCAELP CC(C)[C@H](C)NC(=O)C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106123036 208209078 /nfs/dbraw/zinc/20/90/78/208209078.db2.gz VQXQJOSDFADZGQ-ROUUACIJSA-N 2 2 354.539 0.874 10 0 FCAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CC(=O)NC3CCCC3)CC2)C1 ZINC000106123432 208209416 /nfs/dbraw/zinc/20/94/16/208209416.db2.gz JHJIZCUIVJEBHJ-SFHVURJKSA-N 2 2 352.523 0.772 10 0 FCAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CC(=O)NC3CCCC3)CC2)C1 ZINC000106123432 208209422 /nfs/dbraw/zinc/20/94/22/208209422.db2.gz JHJIZCUIVJEBHJ-SFHVURJKSA-N 2 2 352.523 0.772 10 0 FCAELP CC(C)CNC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106122444 208210201 /nfs/dbraw/zinc/21/02/01/208210201.db2.gz OYDAMZFIDSDDPV-ZWKOTPCHSA-N 2 2 354.539 0.874 10 0 FCAELP CC(C)CNC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106122444 208210206 /nfs/dbraw/zinc/21/02/06/208210206.db2.gz OYDAMZFIDSDDPV-ZWKOTPCHSA-N 2 2 354.539 0.874 10 0 FCAELP CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130460 208215395 /nfs/dbraw/zinc/21/53/95/208215395.db2.gz KCLGYHFLRIPAFQ-CQSZACIVSA-N 2 2 350.467 0.514 10 0 FCAELP CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130460 208215401 /nfs/dbraw/zinc/21/54/01/208215401.db2.gz KCLGYHFLRIPAFQ-CQSZACIVSA-N 2 2 350.467 0.514 10 0 FCAELP C[C@H](C(=O)Nc1ncccn1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000111241393 208278782 /nfs/dbraw/zinc/27/87/82/208278782.db2.gz UJDSTOPIZDOGNP-OAHLLOKOSA-N 2 2 374.489 0.680 10 0 FCAELP C[NH+]1CCN(C(=O)CC2CC[NH+](CC(=O)N3CCCCC3)CC2)CC1 ZINC000109789171 208261329 /nfs/dbraw/zinc/26/13/29/208261329.db2.gz CUSXFLFCXMMTBL-UHFFFAOYSA-N 2 2 350.507 0.875 10 0 FCAELP C[NH+]1CCN(C(=O)CC2CC[NH+](CC(=O)NCC3CCC3)CC2)CC1 ZINC000109789017 208261869 /nfs/dbraw/zinc/26/18/69/208261869.db2.gz ABCDVYUGSWEIIX-UHFFFAOYSA-N 2 2 350.507 0.779 10 0 FCAELP CCCNC(=O)NC(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119636852 208364953 /nfs/dbraw/zinc/36/49/53/208364953.db2.gz MAWKLMSWKFSVJT-XYPWUTKMSA-N 2 2 351.495 0.465 10 0 FCAELP CCCNC(=O)NC(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119636852 208364959 /nfs/dbraw/zinc/36/49/59/208364959.db2.gz MAWKLMSWKFSVJT-XYPWUTKMSA-N 2 2 351.495 0.465 10 0 FCAELP CCc1noc(C)c1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000188958972 229252494 /nfs/dbraw/zinc/25/24/94/229252494.db2.gz IONSNSRTYATOMR-UHFFFAOYSA-N 2 2 365.478 0.968 10 0 FCAELP CCc1noc(C)c1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000188958972 229252497 /nfs/dbraw/zinc/25/24/97/229252497.db2.gz IONSNSRTYATOMR-UHFFFAOYSA-N 2 2 365.478 0.968 10 0 FCAELP C[NH+](C)[C@]1(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CCSC1 ZINC000934080387 674284862 /nfs/dbraw/zinc/28/48/62/674284862.db2.gz VYLKVPYDVMYVBE-VYDXJSESSA-N 2 2 357.520 0.420 10 0 FCAELP O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)C1([NH+]2CCOCC2)CCC1 ZINC000363709990 488876960 /nfs/dbraw/zinc/87/69/60/488876960.db2.gz HECRUWQQDOWWPT-LJQANCHMSA-N 2 2 373.497 0.777 10 0 FCAELP O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)C1([NH+]2CCOCC2)CCC1 ZINC000363709990 488876963 /nfs/dbraw/zinc/87/69/63/488876963.db2.gz HECRUWQQDOWWPT-LJQANCHMSA-N 2 2 373.497 0.777 10 0 FCAELP Cn1cc(C[N@@H+]2CCC[C@@H](n3ncc(N4CC[NH+](C)CC4)cc3=O)C2)cn1 ZINC000328608501 488923401 /nfs/dbraw/zinc/92/34/01/488923401.db2.gz ZDLQVPKVBYVFBV-QGZVFWFLSA-N 2 2 371.489 0.566 10 0 FCAELP Cn1cc(C[N@H+]2CCC[C@@H](n3ncc(N4CC[NH+](C)CC4)cc3=O)C2)cn1 ZINC000328608501 488923404 /nfs/dbraw/zinc/92/34/04/488923404.db2.gz ZDLQVPKVBYVFBV-QGZVFWFLSA-N 2 2 371.489 0.566 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)[C@H]1c1ccccc1 ZINC000288064533 488939440 /nfs/dbraw/zinc/93/94/40/488939440.db2.gz ADXQBFBBJUAQSY-QZTJIDSGSA-N 2 2 356.470 0.855 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)[C@H]1c1ccccc1 ZINC000288064533 488939444 /nfs/dbraw/zinc/93/94/44/488939444.db2.gz ADXQBFBBJUAQSY-QZTJIDSGSA-N 2 2 356.470 0.855 10 0 FCAELP CN(CCn1cc[nH+]c1)C(=O)C[C@@H]1C(=O)NCC[N@H+]1CCc1ccccc1 ZINC000011936527 487547091 /nfs/dbraw/zinc/54/70/91/487547091.db2.gz UUXPVPSIPSXDRV-GOSISDBHSA-N 2 2 369.469 0.775 10 0 FCAELP CN(CCn1cc[nH+]c1)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCc1ccccc1 ZINC000011936527 487547103 /nfs/dbraw/zinc/54/71/03/487547103.db2.gz UUXPVPSIPSXDRV-GOSISDBHSA-N 2 2 369.469 0.775 10 0 FCAELP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2C(=O)Nc2nccs2)CC1 ZINC000364531951 488969467 /nfs/dbraw/zinc/96/94/67/488969467.db2.gz MSCMIIRYPLHSQR-CYBMUJFWSA-N 2 2 351.476 0.710 10 0 FCAELP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]2C(=O)Nc2nccs2)CC1 ZINC000364531951 488969470 /nfs/dbraw/zinc/96/94/70/488969470.db2.gz MSCMIIRYPLHSQR-CYBMUJFWSA-N 2 2 351.476 0.710 10 0 FCAELP C[NH+]1CCC(n2ccc(NC(=O)N3CC[C@@H]4OCC[N@H+](C)[C@@H]4C3)n2)CC1 ZINC000329106068 488969618 /nfs/dbraw/zinc/96/96/18/488969618.db2.gz FADVVTHEMUFDJX-CVEARBPZSA-N 2 2 362.478 1.087 10 0 FCAELP C[NH+]1CCC(n2ccc(NC(=O)N3CC[C@@H]4OCC[N@@H+](C)[C@@H]4C3)n2)CC1 ZINC000329106068 488969621 /nfs/dbraw/zinc/96/96/21/488969621.db2.gz FADVVTHEMUFDJX-CVEARBPZSA-N 2 2 362.478 1.087 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000054994003 488234125 /nfs/dbraw/zinc/23/41/25/488234125.db2.gz ACBFJXASHBSXFR-IRXDYDNUSA-N 2 2 366.506 0.110 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000054994003 488234129 /nfs/dbraw/zinc/23/41/29/488234129.db2.gz ACBFJXASHBSXFR-IRXDYDNUSA-N 2 2 366.506 0.110 10 0 FCAELP Cn1ccnc1C[NH+]1CCC(C(=O)NCCCN2CC[NH+](C)CC2)CC1 ZINC000055045815 488234730 /nfs/dbraw/zinc/23/47/30/488234730.db2.gz ZMGYSFOBGAMMFB-UHFFFAOYSA-N 2 2 362.522 0.386 10 0 FCAELP Cn1ccnc1C[NH+]1CCC(C(=O)NCCC[NH+]2CCN(C)CC2)CC1 ZINC000055045815 488234736 /nfs/dbraw/zinc/23/47/36/488234736.db2.gz ZMGYSFOBGAMMFB-UHFFFAOYSA-N 2 2 362.522 0.386 10 0 FCAELP CCC[N@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)CC(=O)N(C)C ZINC000056510946 488257323 /nfs/dbraw/zinc/25/73/23/488257323.db2.gz ZZFWCMMXOYYETP-INIZCTEOSA-N 2 2 356.511 0.260 10 0 FCAELP CCC[N@@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)CC(=O)N(C)C ZINC000056510946 488257325 /nfs/dbraw/zinc/25/73/25/488257325.db2.gz ZZFWCMMXOYYETP-INIZCTEOSA-N 2 2 356.511 0.260 10 0 FCAELP CCC[NH+](CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)CC(=O)N(C)C ZINC000056510946 488257327 /nfs/dbraw/zinc/25/73/27/488257327.db2.gz ZZFWCMMXOYYETP-INIZCTEOSA-N 2 2 356.511 0.260 10 0 FCAELP CCC[NH+](CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)CC(=O)N(C)C ZINC000056510946 488257328 /nfs/dbraw/zinc/25/73/28/488257328.db2.gz ZZFWCMMXOYYETP-INIZCTEOSA-N 2 2 356.511 0.260 10 0 FCAELP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCNC(=O)CC2)CC1 ZINC000065955005 488323716 /nfs/dbraw/zinc/32/37/16/488323716.db2.gz WZVNZMDBQFKKFI-UHFFFAOYSA-N 2 2 358.486 0.898 10 0 FCAELP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCNC(=O)CC2)CC1 ZINC000065955005 488323718 /nfs/dbraw/zinc/32/37/18/488323718.db2.gz WZVNZMDBQFKKFI-UHFFFAOYSA-N 2 2 358.486 0.898 10 0 FCAELP CC[NH+]1CCN(CC(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000073797214 488386458 /nfs/dbraw/zinc/38/64/58/488386458.db2.gz KSEAMQIBGYZJTF-GOSISDBHSA-N 2 2 374.533 0.346 10 0 FCAELP C[NH+](C)CCN1C[C@@H](C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC1=O ZINC000074365544 488391460 /nfs/dbraw/zinc/39/14/60/488391460.db2.gz PQLGNYIUFKTUJZ-DLBZAZTESA-N 2 2 366.506 0.110 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCN(C(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000268467030 488421574 /nfs/dbraw/zinc/42/15/74/488421574.db2.gz BBJWVDUEDSOJRV-UHFFFAOYSA-N 2 2 358.446 0.640 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCN(c3nccc(OC)n3)CC2)CC1 ZINC000193499534 488427782 /nfs/dbraw/zinc/42/77/82/488427782.db2.gz PFVAEACBCUTMIY-HNNXBMFYSA-N 2 2 362.478 0.160 10 0 FCAELP CN(C)C(=O)C1CC[NH+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000193759890 488429700 /nfs/dbraw/zinc/42/97/00/488429700.db2.gz CJOMXRQVYTVBLK-UHFFFAOYSA-N 2 2 362.474 0.724 10 0 FCAELP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000268554207 488430795 /nfs/dbraw/zinc/43/07/95/488430795.db2.gz IYFUJHIBKRJBKN-UHFFFAOYSA-N 2 2 357.458 0.967 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000268716923 488444478 /nfs/dbraw/zinc/44/44/78/488444478.db2.gz YIAJCQHMXIGLGV-UHFFFAOYSA-N 2 2 356.430 0.503 10 0 FCAELP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935780564 674329118 /nfs/dbraw/zinc/32/91/18/674329118.db2.gz NLTLZAFSQNULOA-ZACQAIPSSA-N 2 2 357.495 0.075 10 0 FCAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@@H](C)C1 ZINC000245427716 488464404 /nfs/dbraw/zinc/46/44/04/488464404.db2.gz MCQUIBDGIUPIMN-BBRMVZONSA-N 2 2 368.503 0.935 10 0 FCAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@@H](C)C1 ZINC000245427716 488464406 /nfs/dbraw/zinc/46/44/06/488464406.db2.gz MCQUIBDGIUPIMN-BBRMVZONSA-N 2 2 368.503 0.935 10 0 FCAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@@H](C)C1 ZINC000245427716 488464408 /nfs/dbraw/zinc/46/44/08/488464408.db2.gz MCQUIBDGIUPIMN-BBRMVZONSA-N 2 2 368.503 0.935 10 0 FCAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@@H](C)C1 ZINC000245427716 488464409 /nfs/dbraw/zinc/46/44/09/488464409.db2.gz MCQUIBDGIUPIMN-BBRMVZONSA-N 2 2 368.503 0.935 10 0 FCAELP CCC[C@H]1CN(C(=O)NC[C@H](C)[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC000245874156 488466676 /nfs/dbraw/zinc/46/66/76/488466676.db2.gz HHBGEOSDGSRPNN-IRXDYDNUSA-N 2 2 356.511 0.849 10 0 FCAELP CCC[C@H]1CN(C(=O)NC[C@H](C)[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC000245874156 488466680 /nfs/dbraw/zinc/46/66/80/488466680.db2.gz HHBGEOSDGSRPNN-IRXDYDNUSA-N 2 2 356.511 0.849 10 0 FCAELP CCC[C@@H]1CN(C(=O)NC[C@H](C)[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC000245874147 488466772 /nfs/dbraw/zinc/46/67/72/488466772.db2.gz HHBGEOSDGSRPNN-DLBZAZTESA-N 2 2 356.511 0.849 10 0 FCAELP CCC[C@@H]1CN(C(=O)NC[C@H](C)[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC000245874147 488466774 /nfs/dbraw/zinc/46/67/74/488466774.db2.gz HHBGEOSDGSRPNN-DLBZAZTESA-N 2 2 356.511 0.849 10 0 FCAELP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)[C@@H](C)C1 ZINC000247284010 488483853 /nfs/dbraw/zinc/48/38/53/488483853.db2.gz SOBRMKWOQNRGAT-BBWFWOEESA-N 2 2 356.511 0.753 10 0 FCAELP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)[C@@H](C)C1 ZINC000247284010 488483856 /nfs/dbraw/zinc/48/38/56/488483856.db2.gz SOBRMKWOQNRGAT-BBWFWOEESA-N 2 2 356.511 0.753 10 0 FCAELP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2C[N@H+](C)CCO2)[C@@H](C)C1 ZINC000247284010 488483858 /nfs/dbraw/zinc/48/38/58/488483858.db2.gz SOBRMKWOQNRGAT-BBWFWOEESA-N 2 2 356.511 0.753 10 0 FCAELP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)[C@@H](C)C1 ZINC000247284010 488483860 /nfs/dbraw/zinc/48/38/60/488483860.db2.gz SOBRMKWOQNRGAT-BBWFWOEESA-N 2 2 356.511 0.753 10 0 FCAELP C[C@@H](C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2)[NH+]1CCSCC1 ZINC000569897991 491201772 /nfs/dbraw/zinc/20/17/72/491201772.db2.gz VARMGOURQBUYCP-ZDUSSCGKSA-N 2 2 362.499 0.906 10 0 FCAELP C[C@@H](C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2)[NH+]1CCSCC1 ZINC000569897991 491201774 /nfs/dbraw/zinc/20/17/74/491201774.db2.gz VARMGOURQBUYCP-ZDUSSCGKSA-N 2 2 362.499 0.906 10 0 FCAELP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000247941312 488492198 /nfs/dbraw/zinc/49/21/98/488492198.db2.gz DAGKYBYKMWWMPA-RTBURBONSA-N 2 2 361.486 0.803 10 0 FCAELP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000247941312 488492201 /nfs/dbraw/zinc/49/22/01/488492201.db2.gz DAGKYBYKMWWMPA-RTBURBONSA-N 2 2 361.486 0.803 10 0 FCAELP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000248497382 488497628 /nfs/dbraw/zinc/49/76/28/488497628.db2.gz RGZAHNUYSIOTQW-ULQDDVLXSA-N 2 2 370.538 0.830 10 0 FCAELP Nc1nc(N2CC=CC2)c2c([nH+]1)CCN(C(=O)CCn1cc[nH+]c1)CC2 ZINC000102840457 488499044 /nfs/dbraw/zinc/49/90/44/488499044.db2.gz UWDJBWHKNBLMMY-UHFFFAOYSA-N 2 2 353.430 0.649 10 0 FCAELP OC(C[NH+]1CCC[C@@H](n2cncn2)C1)C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000248749998 488502905 /nfs/dbraw/zinc/50/29/05/488502905.db2.gz UDHBNKKEMNEDKC-HZPDHXFCSA-N 2 2 360.466 0.205 10 0 FCAELP OC(C[NH+]1CCC[C@@H](n2cncn2)C1)C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000248749998 488502906 /nfs/dbraw/zinc/50/29/06/488502906.db2.gz UDHBNKKEMNEDKC-HZPDHXFCSA-N 2 2 360.466 0.205 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H](CCO)c2ccco2)C1 ZINC000248976553 488504552 /nfs/dbraw/zinc/50/45/52/488504552.db2.gz HTPWSQCSJZMIHT-HZPDHXFCSA-N 2 2 353.463 0.766 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H](CCO)c2ccco2)C1 ZINC000248976553 488504553 /nfs/dbraw/zinc/50/45/53/488504553.db2.gz HTPWSQCSJZMIHT-HZPDHXFCSA-N 2 2 353.463 0.766 10 0 FCAELP C[C@@H]1C[N@@H+](C[C@H]2CCCN2S(=O)(=O)CC[NH+]2CCCC2)C[C@H](C)O1 ZINC000249126416 488507112 /nfs/dbraw/zinc/50/71/12/488507112.db2.gz CJIMSCLGGTUEIL-IXDOHACOSA-N 2 2 359.536 0.986 10 0 FCAELP C[C@@H]1C[N@H+](C[C@H]2CCCN2S(=O)(=O)CC[NH+]2CCCC2)C[C@H](C)O1 ZINC000249126416 488507114 /nfs/dbraw/zinc/50/71/14/488507114.db2.gz CJIMSCLGGTUEIL-IXDOHACOSA-N 2 2 359.536 0.986 10 0 FCAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000249586667 488512570 /nfs/dbraw/zinc/51/25/70/488512570.db2.gz UBLXJPXVNIVJNI-IAGOWNOFSA-N 2 2 361.490 0.117 10 0 FCAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000249586667 488512573 /nfs/dbraw/zinc/51/25/73/488512573.db2.gz UBLXJPXVNIVJNI-IAGOWNOFSA-N 2 2 361.490 0.117 10 0 FCAELP O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000563011508 491207940 /nfs/dbraw/zinc/20/79/40/491207940.db2.gz NQPFALZDPAUIMA-UONOGXRCSA-N 2 2 355.398 0.734 10 0 FCAELP O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000563011508 491207942 /nfs/dbraw/zinc/20/79/42/491207942.db2.gz NQPFALZDPAUIMA-UONOGXRCSA-N 2 2 355.398 0.734 10 0 FCAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCn2nc3ccccn3c2=O)CC1 ZINC000109755308 488524219 /nfs/dbraw/zinc/52/42/19/488524219.db2.gz SCEIWOPIFUDURE-QGZVFWFLSA-N 2 2 358.490 0.598 10 0 FCAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCn2nc3ccccn3c2=O)CC1 ZINC000109755308 488524221 /nfs/dbraw/zinc/52/42/21/488524221.db2.gz SCEIWOPIFUDURE-QGZVFWFLSA-N 2 2 358.490 0.598 10 0 FCAELP C[NH+]1CCN(c2cc(C(=O)NCCCC[NH+]3CCOCC3)ccn2)CC1 ZINC000112274335 488533725 /nfs/dbraw/zinc/53/37/25/488533725.db2.gz BBNILSUOJPJPCH-UHFFFAOYSA-N 2 2 361.490 0.676 10 0 FCAELP C[C@@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000112293456 488534082 /nfs/dbraw/zinc/53/40/82/488534082.db2.gz MAACEZSQLXGADZ-HZPDHXFCSA-N 2 2 361.490 0.672 10 0 FCAELP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000261757669 488534729 /nfs/dbraw/zinc/53/47/29/488534729.db2.gz FDDWRBGEJHMCEB-QGZVFWFLSA-N 2 2 354.495 0.143 10 0 FCAELP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000261757669 488534730 /nfs/dbraw/zinc/53/47/30/488534730.db2.gz FDDWRBGEJHMCEB-QGZVFWFLSA-N 2 2 354.495 0.143 10 0 FCAELP [NH3+]C1(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CCOCC1 ZINC000261804833 488536703 /nfs/dbraw/zinc/53/67/03/488536703.db2.gz JAXFUNVEIMEBTP-UHFFFAOYSA-N 2 2 363.458 0.522 10 0 FCAELP COc1ccc(C(=O)NCC[NH+]2CCN(Cc3noc(C[NH3+])n3)CC2)cc1 ZINC000262165860 488554762 /nfs/dbraw/zinc/55/47/62/488554762.db2.gz HGFXOLCBIOTIDH-UHFFFAOYSA-N 2 2 374.445 0.085 10 0 FCAELP CC[NH+]1CCN(C(=O)CC2CCN(Cc3noc(C[NH3+])n3)CC2)CC1 ZINC000262280235 488561265 /nfs/dbraw/zinc/56/12/65/488561265.db2.gz UNDOUDHXYRPSSW-UHFFFAOYSA-N 2 2 350.467 0.295 10 0 FCAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[N@@H+]1C ZINC000123948992 488589041 /nfs/dbraw/zinc/58/90/41/488589041.db2.gz MZUXNAVBQJBGDW-TZMCWYRMSA-N 2 2 354.476 0.687 10 0 FCAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[N@H+]1C ZINC000123948992 488589042 /nfs/dbraw/zinc/58/90/42/488589042.db2.gz MZUXNAVBQJBGDW-TZMCWYRMSA-N 2 2 354.476 0.687 10 0 FCAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[NH+]1C ZINC000123948992 488589044 /nfs/dbraw/zinc/58/90/44/488589044.db2.gz MZUXNAVBQJBGDW-TZMCWYRMSA-N 2 2 354.476 0.687 10 0 FCAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[NH+]1C ZINC000123948992 488589045 /nfs/dbraw/zinc/58/90/45/488589045.db2.gz MZUXNAVBQJBGDW-TZMCWYRMSA-N 2 2 354.476 0.687 10 0 FCAELP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)CC2)CC1 ZINC000263186006 488606061 /nfs/dbraw/zinc/60/60/61/488606061.db2.gz HHRQAFLNAGVASC-HNNXBMFYSA-N 2 2 372.460 0.776 10 0 FCAELP COC[C@H](O)CCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000133960622 488663012 /nfs/dbraw/zinc/66/30/12/488663012.db2.gz OBWDPMRGFRFPMI-MRXNPFEDSA-N 2 2 356.511 0.633 10 0 FCAELP CN(CC[NH+]1CCN(c2ccccc2)CC1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000151162939 488702530 /nfs/dbraw/zinc/70/25/30/488702530.db2.gz XASJZVIFPDOPHM-HXUWFJFHSA-N 2 2 362.518 0.434 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](CCO)Cc2cccnc2)C1 ZINC000152319738 488715898 /nfs/dbraw/zinc/71/58/98/488715898.db2.gz IMDQPGOGOFDYLY-GOSISDBHSA-N 2 2 364.490 0.349 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](CCO)Cc2cccnc2)C1 ZINC000152319738 488715901 /nfs/dbraw/zinc/71/59/01/488715901.db2.gz IMDQPGOGOFDYLY-GOSISDBHSA-N 2 2 364.490 0.349 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](CCO)Cc2cccnc2)C1 ZINC000152319738 488715904 /nfs/dbraw/zinc/71/59/04/488715904.db2.gz IMDQPGOGOFDYLY-GOSISDBHSA-N 2 2 364.490 0.349 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](CCO)Cc2cccnc2)C1 ZINC000152319738 488715907 /nfs/dbraw/zinc/71/59/07/488715907.db2.gz IMDQPGOGOFDYLY-GOSISDBHSA-N 2 2 364.490 0.349 10 0 FCAELP C[C@@H]1C[NH+](C)C[C@H](C)N1C(=O)CSCC(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC000155068269 488750664 /nfs/dbraw/zinc/75/06/64/488750664.db2.gz LGYXLIPADCWXFG-GEEKYZPCSA-N 2 2 370.563 0.822 10 0 FCAELP C[C@@H]1C[NH+](C)C[C@H](C)N1C(=O)CSCC(=O)N1[C@H](C)C[N@H+](C)C[C@@H]1C ZINC000155068269 488750666 /nfs/dbraw/zinc/75/06/66/488750666.db2.gz LGYXLIPADCWXFG-GEEKYZPCSA-N 2 2 370.563 0.822 10 0 FCAELP CC[NH+](CC)[C@@H](C)CNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000156277311 488763746 /nfs/dbraw/zinc/76/37/46/488763746.db2.gz WZFZUQQSFPSRHL-INIZCTEOSA-N 2 2 367.538 0.960 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)CCNC(=O)C(C)C)C1 ZINC000157732439 488773028 /nfs/dbraw/zinc/77/30/28/488773028.db2.gz UTMPBYDGOGZRBH-MRXNPFEDSA-N 2 2 356.511 0.163 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)CCNC(=O)C(C)C)C1 ZINC000157732439 488773029 /nfs/dbraw/zinc/77/30/29/488773029.db2.gz UTMPBYDGOGZRBH-MRXNPFEDSA-N 2 2 356.511 0.163 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)CCNC(=O)C(C)C)C1 ZINC000157732439 488773032 /nfs/dbraw/zinc/77/30/32/488773032.db2.gz UTMPBYDGOGZRBH-MRXNPFEDSA-N 2 2 356.511 0.163 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)CCNC(=O)C(C)C)C1 ZINC000157732439 488773034 /nfs/dbraw/zinc/77/30/34/488773034.db2.gz UTMPBYDGOGZRBH-MRXNPFEDSA-N 2 2 356.511 0.163 10 0 FCAELP COCCN1CC[N@H+](CCCN2CC[NH+](CCOC)[C@H](C)C2)C[C@@H]1C ZINC000157948255 488774716 /nfs/dbraw/zinc/77/47/16/488774716.db2.gz ZMIBPLUDCBMXMT-KDURUIRLSA-N 2 2 356.555 0.682 10 0 FCAELP COCCN1CC[N@@H+](CCCN2CC[NH+](CCOC)[C@H](C)C2)C[C@@H]1C ZINC000157948255 488774719 /nfs/dbraw/zinc/77/47/19/488774719.db2.gz ZMIBPLUDCBMXMT-KDURUIRLSA-N 2 2 356.555 0.682 10 0 FCAELP COCCN1CC[NH+](CCCN2CC[N@H+](CCOC)[C@H](C)C2)C[C@@H]1C ZINC000157948255 488774722 /nfs/dbraw/zinc/77/47/22/488774722.db2.gz ZMIBPLUDCBMXMT-KDURUIRLSA-N 2 2 356.555 0.682 10 0 FCAELP COCCN1CC[NH+](CCCN2CC[N@@H+](CCOC)[C@H](C)C2)C[C@@H]1C ZINC000157948255 488774724 /nfs/dbraw/zinc/77/47/24/488774724.db2.gz ZMIBPLUDCBMXMT-KDURUIRLSA-N 2 2 356.555 0.682 10 0 FCAELP COCCN1CC[N@H+](CCCN2CC[NH+](CCOC)[C@@H](C)C2)C[C@H]1C ZINC000157948255 488774726 /nfs/dbraw/zinc/77/47/26/488774726.db2.gz ZMIBPLUDCBMXMT-KDURUIRLSA-N 2 2 356.555 0.682 10 0 FCAELP COCCN1CC[N@@H+](CCCN2CC[NH+](CCOC)[C@@H](C)C2)C[C@H]1C ZINC000157948255 488774728 /nfs/dbraw/zinc/77/47/28/488774728.db2.gz ZMIBPLUDCBMXMT-KDURUIRLSA-N 2 2 356.555 0.682 10 0 FCAELP COCCN1CC[NH+](CCCN2CC[N@H+](CCOC)[C@@H](C)C2)C[C@H]1C ZINC000157948255 488774731 /nfs/dbraw/zinc/77/47/31/488774731.db2.gz ZMIBPLUDCBMXMT-KDURUIRLSA-N 2 2 356.555 0.682 10 0 FCAELP COCCN1CC[NH+](CCCN2CC[N@@H+](CCOC)[C@@H](C)C2)C[C@H]1C ZINC000157948255 488774732 /nfs/dbraw/zinc/77/47/32/488774732.db2.gz ZMIBPLUDCBMXMT-KDURUIRLSA-N 2 2 356.555 0.682 10 0 FCAELP O=C(CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CCN(c2cccc[nH+]2)CC1 ZINC000164034075 488809665 /nfs/dbraw/zinc/80/96/65/488809665.db2.gz IHGIIROSFHZIOF-CALCHBBNSA-N 2 2 371.485 0.863 10 0 FCAELP C[C@H]([C@H](C)NC(=O)C1CC[NH+](Cc2nccn2C)CC1)[NH+]1CCOCC1 ZINC000170886903 488817366 /nfs/dbraw/zinc/81/73/66/488817366.db2.gz DJOFXLLFQJCMNF-JKSUJKDBSA-N 2 2 363.506 0.858 10 0 FCAELP C[C@@H](O)C[N@@H+]1CCN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)C[C@H]1C ZINC000170936841 488818102 /nfs/dbraw/zinc/81/81/02/488818102.db2.gz BNSPWNWCJVDBGM-IAGOWNOFSA-N 2 2 364.490 0.311 10 0 FCAELP C[C@@H](O)C[N@H+]1CCN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)C[C@H]1C ZINC000170936841 488818104 /nfs/dbraw/zinc/81/81/04/488818104.db2.gz BNSPWNWCJVDBGM-IAGOWNOFSA-N 2 2 364.490 0.311 10 0 FCAELP C[NH+](C)C[C@H]1CN(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)CCO1 ZINC000170958600 488818502 /nfs/dbraw/zinc/81/85/02/488818502.db2.gz AWDJBVFERSQSHA-HNNXBMFYSA-N 2 2 367.519 0.940 10 0 FCAELP C[N@H+]1CCO[C@@H](CNC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)C1 ZINC000171286285 488822004 /nfs/dbraw/zinc/82/20/04/488822004.db2.gz JOBFYPHKLYBQHF-KRWDZBQOSA-N 2 2 371.441 0.972 10 0 FCAELP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171903882 488828257 /nfs/dbraw/zinc/82/82/57/488828257.db2.gz GRWLGCXGIJCWBH-NVXWUHKLSA-N 2 2 354.520 0.684 10 0 FCAELP CN(Cc1cnn(C)c1)C(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000171921569 488828607 /nfs/dbraw/zinc/82/86/07/488828607.db2.gz ZMJDKGZJHGQDEU-SFHVURJKSA-N 2 2 362.522 0.480 10 0 FCAELP CN(Cc1cnn(C)c1)C(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000171921569 488828608 /nfs/dbraw/zinc/82/86/08/488828608.db2.gz ZMJDKGZJHGQDEU-SFHVURJKSA-N 2 2 362.522 0.480 10 0 FCAELP CC[C@@H]1CN(C(=O)NCC[NH+]2CCOC(C)(C)C2)CC[N@@H+]1CCOC ZINC000172333589 488833101 /nfs/dbraw/zinc/83/31/01/488833101.db2.gz QVQDVVRIDGOCCT-MRXNPFEDSA-N 2 2 356.511 0.849 10 0 FCAELP CC[C@@H]1CN(C(=O)NCC[NH+]2CCOC(C)(C)C2)CC[N@H+]1CCOC ZINC000172333589 488833102 /nfs/dbraw/zinc/83/31/02/488833102.db2.gz QVQDVVRIDGOCCT-MRXNPFEDSA-N 2 2 356.511 0.849 10 0 FCAELP CC[C@@H]1CN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC[NH+]1CCOC ZINC000172333589 488833103 /nfs/dbraw/zinc/83/31/03/488833103.db2.gz QVQDVVRIDGOCCT-MRXNPFEDSA-N 2 2 356.511 0.849 10 0 FCAELP CC[C@@H]1CN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC[NH+]1CCOC ZINC000172333589 488833104 /nfs/dbraw/zinc/83/31/04/488833104.db2.gz QVQDVVRIDGOCCT-MRXNPFEDSA-N 2 2 356.511 0.849 10 0 FCAELP C[C@H](CNC(=O)C1CC[NH+](Cc2nccn2C)CC1)C[NH+]1CCOCC1 ZINC000172459256 488834434 /nfs/dbraw/zinc/83/44/34/488834434.db2.gz GLSQFTIBXGYLDX-MRXNPFEDSA-N 2 2 363.506 0.717 10 0 FCAELP C[NH+]1CCN([C@H](C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c2ccccc2)CC1 ZINC000172749675 488837298 /nfs/dbraw/zinc/83/72/98/488837298.db2.gz AEXKTNIFQBODCB-PMACEKPBSA-N 2 2 372.513 0.908 10 0 FCAELP C[NH+]1CCC(CNC(=O)CN2CCCS2(=O)=O)([NH+]2CCCCC2)CC1 ZINC000172749965 488837469 /nfs/dbraw/zinc/83/74/69/488837469.db2.gz ZDGZZEGNTFDMTF-UHFFFAOYSA-N 2 2 372.535 0.088 10 0 FCAELP C[NH+]1CCN([C@@H](C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c2ccccc2)CC1 ZINC000172749678 488837539 /nfs/dbraw/zinc/83/75/39/488837539.db2.gz AEXKTNIFQBODCB-VQTJNVASSA-N 2 2 372.513 0.908 10 0 FCAELP CCN1C[C@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1=O ZINC000172750835 488837625 /nfs/dbraw/zinc/83/76/25/488837625.db2.gz VVTAPTHJXRZZRP-MRXNPFEDSA-N 2 2 350.507 0.921 10 0 FCAELP O[C@H](COc1ccccc1)C[NH+]1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000173697123 488844548 /nfs/dbraw/zinc/84/45/48/488844548.db2.gz AVTOTEIOXFNWHC-IBGZPJMESA-N 2 2 363.502 0.766 10 0 FCAELP C[NH+]1CCN([C@@H]2CCCC[N@H+](CC(=O)Nc3ccccc3C(N)=O)C2)CC1 ZINC000174884890 488852068 /nfs/dbraw/zinc/85/20/68/488852068.db2.gz BAUJGGDLFTXDBV-MRXNPFEDSA-N 2 2 373.501 0.826 10 0 FCAELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CC(=O)Nc3ccccc3C(N)=O)C2)CC1 ZINC000174884890 488852069 /nfs/dbraw/zinc/85/20/69/488852069.db2.gz BAUJGGDLFTXDBV-MRXNPFEDSA-N 2 2 373.501 0.826 10 0 FCAELP C[C@H]1CN(C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000175657899 488854774 /nfs/dbraw/zinc/85/47/74/488854774.db2.gz BZRARRUUIBBBDA-WMZOPIPTSA-N 2 2 367.538 0.375 10 0 FCAELP C[C@H]1CN(C(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000175657899 488854775 /nfs/dbraw/zinc/85/47/75/488854775.db2.gz BZRARRUUIBBBDA-WMZOPIPTSA-N 2 2 367.538 0.375 10 0 FCAELP C[C@@H]1CN(C(=O)NCCCC[NH+]2CCOCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000175672996 488854887 /nfs/dbraw/zinc/85/48/87/488854887.db2.gz UOKKUXGEFOUMMZ-SJORKVTESA-N 2 2 354.495 0.461 10 0 FCAELP CC[C@@H]1CN(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC000175778969 488855714 /nfs/dbraw/zinc/85/57/14/488855714.db2.gz UAAMDFWFWALYML-QZTJIDSGSA-N 2 2 369.554 0.622 10 0 FCAELP CC[C@@H]1CN(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC000175778969 488855715 /nfs/dbraw/zinc/85/57/15/488855715.db2.gz UAAMDFWFWALYML-QZTJIDSGSA-N 2 2 369.554 0.622 10 0 FCAELP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000288474918 488984784 /nfs/dbraw/zinc/98/47/84/488984784.db2.gz RGHSBTJQRGOBPH-MSOLQXFVSA-N 2 2 374.485 0.339 10 0 FCAELP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000288474918 488984787 /nfs/dbraw/zinc/98/47/87/488984787.db2.gz RGHSBTJQRGOBPH-MSOLQXFVSA-N 2 2 374.485 0.339 10 0 FCAELP C[C@@H]1OCC[C@]1(O)CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000364895376 489014959 /nfs/dbraw/zinc/01/49/59/489014959.db2.gz UVRMSYWCUWUZLA-LPHOPBHVSA-N 2 2 368.522 0.776 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(n3cccn3)CC2)C1 ZINC000365160042 489044254 /nfs/dbraw/zinc/04/42/54/489044254.db2.gz NEHGFBZNSRRTAF-GOSISDBHSA-N 2 2 363.506 0.993 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(n3cccn3)CC2)C1 ZINC000365160042 489044255 /nfs/dbraw/zinc/04/42/55/489044255.db2.gz NEHGFBZNSRRTAF-GOSISDBHSA-N 2 2 363.506 0.993 10 0 FCAELP O=C(/C=C/C=C/C(=O)N1CC[NH+](C2CC2)CC1)N1CC[NH+](C2CC2)CC1 ZINC000280994880 489046259 /nfs/dbraw/zinc/04/62/59/489046259.db2.gz QSGKZVVOQOSYGI-ZPUQHVIOSA-N 2 2 358.486 0.712 10 0 FCAELP Cc1n[nH]cc1C[NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000365198785 489048297 /nfs/dbraw/zinc/04/82/97/489048297.db2.gz NLTXZEDXYXZDDE-HNNXBMFYSA-N 2 2 371.489 0.654 10 0 FCAELP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000365366498 489068084 /nfs/dbraw/zinc/06/80/84/489068084.db2.gz BXCAXLGQNQOXGS-CQSZACIVSA-N 2 2 367.494 0.097 10 0 FCAELP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000570306293 491231928 /nfs/dbraw/zinc/23/19/28/491231928.db2.gz JHINJCFKNGCMFL-ROUUACIJSA-N 2 2 368.547 0.979 10 0 FCAELP Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC000563263105 491233606 /nfs/dbraw/zinc/23/36/06/491233606.db2.gz VJBZOFYCYNMWIQ-AWEZNQCLSA-N 2 2 357.458 0.933 10 0 FCAELP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000332751611 489225428 /nfs/dbraw/zinc/22/54/28/489225428.db2.gz DFILYRIWOCORFK-FGTMMUONSA-N 2 2 367.538 0.375 10 0 FCAELP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000332751611 489225430 /nfs/dbraw/zinc/22/54/30/489225430.db2.gz DFILYRIWOCORFK-FGTMMUONSA-N 2 2 367.538 0.375 10 0 FCAELP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000283604924 489280709 /nfs/dbraw/zinc/28/07/09/489280709.db2.gz PPSABHWILZYYOO-QGZVFWFLSA-N 2 2 357.458 0.679 10 0 FCAELP CCN1C[C@H](NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1=O ZINC000570602015 491252412 /nfs/dbraw/zinc/25/24/12/491252412.db2.gz PXJMBDJUJKWPJA-MRXNPFEDSA-N 2 2 365.522 0.857 10 0 FCAELP CN(CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)S(=O)(=O)c1ccc(F)cc1 ZINC000423095018 489492714 /nfs/dbraw/zinc/49/27/14/489492714.db2.gz LEKVJEKKDFFPRO-SJORKVTESA-N 2 2 371.478 0.803 10 0 FCAELP CN(C)S(=O)(=O)c1cccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000423160155 489498235 /nfs/dbraw/zinc/49/82/35/489498235.db2.gz YZAHETRVUQWBTG-IRXDYDNUSA-N 2 2 353.488 0.794 10 0 FCAELP C[C@@H]1C[N@H+](CCO)CCN1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000452111255 489547505 /nfs/dbraw/zinc/54/75/05/489547505.db2.gz BWMOGKGLFLMTMH-MRXNPFEDSA-N 2 2 366.531 0.391 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)CCN1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000452111255 489547509 /nfs/dbraw/zinc/54/75/09/489547509.db2.gz BWMOGKGLFLMTMH-MRXNPFEDSA-N 2 2 366.531 0.391 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc4c(cn3)nc[nH]c4=O)C2)CC1 ZINC000372421280 489583295 /nfs/dbraw/zinc/58/32/95/489583295.db2.gz JZIWDUAKMHPMQI-GFCCVEGCSA-N 2 2 356.430 0.629 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc4c(cn3)nc[nH]c4=O)C2)CC1 ZINC000372421280 489583296 /nfs/dbraw/zinc/58/32/96/489583296.db2.gz JZIWDUAKMHPMQI-GFCCVEGCSA-N 2 2 356.430 0.629 10 0 FCAELP C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1=O ZINC000372585930 489604500 /nfs/dbraw/zinc/60/45/00/489604500.db2.gz SBAMUENVNHWTFT-VYDXJSESSA-N 2 2 365.522 0.663 10 0 FCAELP C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1=O ZINC000372585930 489604502 /nfs/dbraw/zinc/60/45/02/489604502.db2.gz SBAMUENVNHWTFT-VYDXJSESSA-N 2 2 365.522 0.663 10 0 FCAELP C[C@H]1C[N@H+](CCO)CCN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000457128290 489637277 /nfs/dbraw/zinc/63/72/77/489637277.db2.gz PXGKHNZTALMQBE-KRWDZBQOSA-N 2 2 360.502 0.573 10 0 FCAELP C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000457128290 489637282 /nfs/dbraw/zinc/63/72/82/489637282.db2.gz PXGKHNZTALMQBE-KRWDZBQOSA-N 2 2 360.502 0.573 10 0 FCAELP C[C@H]1C[N@H+](CCO)CCN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000457128290 489637285 /nfs/dbraw/zinc/63/72/85/489637285.db2.gz PXGKHNZTALMQBE-KRWDZBQOSA-N 2 2 360.502 0.573 10 0 FCAELP C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000457128290 489637288 /nfs/dbraw/zinc/63/72/88/489637288.db2.gz PXGKHNZTALMQBE-KRWDZBQOSA-N 2 2 360.502 0.573 10 0 FCAELP COCC[NH2+]CCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000416991551 489637849 /nfs/dbraw/zinc/63/78/49/489637849.db2.gz QNFHMGMGOXKFRF-HUUCEWRRSA-N 2 2 365.478 0.730 10 0 FCAELP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000417304512 489647586 /nfs/dbraw/zinc/64/75/86/489647586.db2.gz ZFUAMXPLGUOPTD-HUUCEWRRSA-N 2 2 350.463 0.933 10 0 FCAELP CCC(CC)[C@H](CNC(=O)N1CC[N@H+](CCO)C[C@H]1C)[NH+]1CCOCC1 ZINC000457619839 489651825 /nfs/dbraw/zinc/65/18/25/489651825.db2.gz POSGKCSYNQVPID-AEFFLSMTSA-N 2 2 370.538 0.831 10 0 FCAELP CCC(CC)[C@H](CNC(=O)N1CC[N@@H+](CCO)C[C@H]1C)[NH+]1CCOCC1 ZINC000457619839 489651828 /nfs/dbraw/zinc/65/18/28/489651828.db2.gz POSGKCSYNQVPID-AEFFLSMTSA-N 2 2 370.538 0.831 10 0 FCAELP CCC(CC)[C@@H](CNC(=O)N1CC[N@H+](CCO)C[C@H]1C)[NH+]1CCOCC1 ZINC000457619851 489652010 /nfs/dbraw/zinc/65/20/10/489652010.db2.gz POSGKCSYNQVPID-SJLPKXTDSA-N 2 2 370.538 0.831 10 0 FCAELP CCC(CC)[C@@H](CNC(=O)N1CC[N@@H+](CCO)C[C@H]1C)[NH+]1CCOCC1 ZINC000457619851 489652012 /nfs/dbraw/zinc/65/20/12/489652012.db2.gz POSGKCSYNQVPID-SJLPKXTDSA-N 2 2 370.538 0.831 10 0 FCAELP Cn1ncc2c1nc(N1CCC(C)(C[NH+]3CCN(C)CC3)CC1)[nH+]c2N ZINC000373048260 489664694 /nfs/dbraw/zinc/66/46/94/489664694.db2.gz UVVGXGAVKJHZBV-UHFFFAOYSA-N 2 2 358.494 0.799 10 0 FCAELP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000418709099 489719531 /nfs/dbraw/zinc/71/95/31/489719531.db2.gz URFHZQMGIDQQHN-ZIAGYGMSSA-N 2 2 365.453 0.618 10 0 FCAELP O=C(N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)C(=O)N1CC[NH2+]CC1 ZINC000418802399 489731198 /nfs/dbraw/zinc/73/11/98/489731198.db2.gz KHPRWRDIWGAUJR-ZDUSSCGKSA-N 2 2 366.412 0.477 10 0 FCAELP O=C(N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)C(=O)N1CC[NH2+]CC1 ZINC000418802399 489731202 /nfs/dbraw/zinc/73/12/02/489731202.db2.gz KHPRWRDIWGAUJR-ZDUSSCGKSA-N 2 2 366.412 0.477 10 0 FCAELP O=C(N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)C(=O)N1CC[NH2+]CC1 ZINC000418802398 489731224 /nfs/dbraw/zinc/73/12/24/489731224.db2.gz KHPRWRDIWGAUJR-CYBMUJFWSA-N 2 2 366.412 0.477 10 0 FCAELP O=C(N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)C(=O)N1CC[NH2+]CC1 ZINC000418802398 489731229 /nfs/dbraw/zinc/73/12/29/489731229.db2.gz KHPRWRDIWGAUJR-CYBMUJFWSA-N 2 2 366.412 0.477 10 0 FCAELP C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000418809404 489733959 /nfs/dbraw/zinc/73/39/59/489733959.db2.gz SQBJBUJOUANTJG-QWHCGFSZSA-N 2 2 368.428 0.756 10 0 FCAELP C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000418809404 489733960 /nfs/dbraw/zinc/73/39/60/489733960.db2.gz SQBJBUJOUANTJG-QWHCGFSZSA-N 2 2 368.428 0.756 10 0 FCAELP COCC[N@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)[C@@H]1CCOC1 ZINC000490054388 489743051 /nfs/dbraw/zinc/74/30/51/489743051.db2.gz OBENRKSABHTZIG-SJORKVTESA-N 2 2 357.495 0.197 10 0 FCAELP COCC[N@@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)[C@@H]1CCOC1 ZINC000490054388 489743055 /nfs/dbraw/zinc/74/30/55/489743055.db2.gz OBENRKSABHTZIG-SJORKVTESA-N 2 2 357.495 0.197 10 0 FCAELP COCC[NH+](CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)[C@@H]1CCOC1 ZINC000490054388 489743059 /nfs/dbraw/zinc/74/30/59/489743059.db2.gz OBENRKSABHTZIG-SJORKVTESA-N 2 2 357.495 0.197 10 0 FCAELP COCC[NH+](CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)[C@@H]1CCOC1 ZINC000490054388 489743062 /nfs/dbraw/zinc/74/30/62/489743062.db2.gz OBENRKSABHTZIG-SJORKVTESA-N 2 2 357.495 0.197 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@](O)(CO)C2)CC1 ZINC000459652761 489745735 /nfs/dbraw/zinc/74/57/35/489745735.db2.gz WYDBHKHXNZZVOS-PXNSSMCTSA-N 2 2 361.486 0.711 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@](O)(CO)C2)CC1 ZINC000459652761 489745737 /nfs/dbraw/zinc/74/57/37/489745737.db2.gz WYDBHKHXNZZVOS-PXNSSMCTSA-N 2 2 361.486 0.711 10 0 FCAELP C[C@H]([NH2+][C@@H](CO)c1ccnn1C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459779735 489752119 /nfs/dbraw/zinc/75/21/19/489752119.db2.gz YCTNPGMWGOFSKI-SZMVWBNQSA-N 2 2 371.485 0.822 10 0 FCAELP C[C@H]([NH2+][C@@H](CO)c1ccnn1C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459779735 489752123 /nfs/dbraw/zinc/75/21/23/489752123.db2.gz YCTNPGMWGOFSKI-SZMVWBNQSA-N 2 2 371.485 0.822 10 0 FCAELP C[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418871875 489768196 /nfs/dbraw/zinc/76/81/96/489768196.db2.gz VGHQGCLSJAGUMP-JKSUJKDBSA-N 2 2 368.428 0.940 10 0 FCAELP C[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418871875 489768197 /nfs/dbraw/zinc/76/81/97/489768197.db2.gz VGHQGCLSJAGUMP-JKSUJKDBSA-N 2 2 368.428 0.940 10 0 FCAELP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N(C)Cc2[nH+]ccn2C)CC1 ZINC000459880964 489779159 /nfs/dbraw/zinc/77/91/59/489779159.db2.gz JDRDQBHMNNSABV-UHFFFAOYSA-N 2 2 372.429 0.131 10 0 FCAELP COC(=O)CC[N@@H+]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC000490662085 489779596 /nfs/dbraw/zinc/77/95/96/489779596.db2.gz MZHHOVXMYSPANF-CQSZACIVSA-N 2 2 357.414 0.977 10 0 FCAELP COC(=O)CC[N@H+]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC000490662085 489779600 /nfs/dbraw/zinc/77/96/00/489779600.db2.gz MZHHOVXMYSPANF-CQSZACIVSA-N 2 2 357.414 0.977 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418902264 489783495 /nfs/dbraw/zinc/78/34/95/489783495.db2.gz GPERNYGVPOVCHP-UGFHNGPFSA-N 2 2 368.840 0.900 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418902264 489783499 /nfs/dbraw/zinc/78/34/99/489783499.db2.gz GPERNYGVPOVCHP-UGFHNGPFSA-N 2 2 368.840 0.900 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418906520 489785170 /nfs/dbraw/zinc/78/51/70/489785170.db2.gz LANMRBHPVSFKJS-KBPBESRZSA-N 2 2 356.829 0.806 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418906520 489785176 /nfs/dbraw/zinc/78/51/76/489785176.db2.gz LANMRBHPVSFKJS-KBPBESRZSA-N 2 2 356.829 0.806 10 0 FCAELP C[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418907059 489785411 /nfs/dbraw/zinc/78/54/11/489785411.db2.gz LQCOVRNVYVZNSG-UONOGXRCSA-N 2 2 356.829 0.676 10 0 FCAELP C[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418907059 489785413 /nfs/dbraw/zinc/78/54/13/489785413.db2.gz LQCOVRNVYVZNSG-UONOGXRCSA-N 2 2 356.829 0.676 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418907815 489785618 /nfs/dbraw/zinc/78/56/18/489785618.db2.gz MIMUSRAJLGCBFL-CABCVRRESA-N 2 2 366.412 0.824 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418907815 489785623 /nfs/dbraw/zinc/78/56/23/489785623.db2.gz MIMUSRAJLGCBFL-CABCVRRESA-N 2 2 366.412 0.824 10 0 FCAELP CC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000418914152 489788930 /nfs/dbraw/zinc/78/89/30/489788930.db2.gz SZJXBNCXEVWEMV-GJZGRUSLSA-N 2 2 352.866 0.927 10 0 FCAELP CC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000418914152 489788934 /nfs/dbraw/zinc/78/89/34/489788934.db2.gz SZJXBNCXEVWEMV-GJZGRUSLSA-N 2 2 352.866 0.927 10 0 FCAELP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000459939673 489800592 /nfs/dbraw/zinc/80/05/92/489800592.db2.gz WNHPCQQHMNHJBU-UHFFFAOYSA-N 2 2 350.507 0.873 10 0 FCAELP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000459946182 489801492 /nfs/dbraw/zinc/80/14/92/489801492.db2.gz HLJFKNIKJCVDFJ-MRXNPFEDSA-N 2 2 368.522 0.092 10 0 FCAELP COc1cc2[nH+]c(N3C[C@@H](C)[N@H+](CCO)C[C@@H]3C)nc(N)c2cc1OC ZINC000419007690 489815754 /nfs/dbraw/zinc/81/57/54/489815754.db2.gz RVLUTMUJVVTWDU-NEPJUHHUSA-N 2 2 361.446 1.121 10 0 FCAELP COc1cc2[nH+]c(N3C[C@@H](C)[N@@H+](CCO)C[C@@H]3C)nc(N)c2cc1OC ZINC000419007690 489815757 /nfs/dbraw/zinc/81/57/57/489815757.db2.gz RVLUTMUJVVTWDU-NEPJUHHUSA-N 2 2 361.446 1.121 10 0 FCAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)C(=O)N(CC[NH3+])CCO)c(C)c1 ZINC000419100799 489854740 /nfs/dbraw/zinc/85/47/40/489854740.db2.gz BYUGHAMUJRVVHT-KRWDZBQOSA-N 2 2 373.457 0.137 10 0 FCAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)C(=O)N(CC[NH3+])CCO)c(C)c1 ZINC000419100800 489854861 /nfs/dbraw/zinc/85/48/61/489854861.db2.gz BYUGHAMUJRVVHT-QGZVFWFLSA-N 2 2 373.457 0.137 10 0 FCAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)C(=O)N2CC[NH2+]CC2)c(C)c1 ZINC000419113749 489860910 /nfs/dbraw/zinc/86/09/10/489860910.db2.gz QWXJBABAUOKCQG-QGZVFWFLSA-N 2 2 355.442 0.789 10 0 FCAELP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000420005741 489879316 /nfs/dbraw/zinc/87/93/16/489879316.db2.gz XAPSDTKOJUSGLO-NVXWUHKLSA-N 2 2 359.474 0.545 10 0 FCAELP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000420017504 489882501 /nfs/dbraw/zinc/88/25/01/489882501.db2.gz VWDMZSMJERVIOR-CYBMUJFWSA-N 2 2 368.865 0.326 10 0 FCAELP C[C@@]1(CNC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CCC[NH2+]C1 ZINC000420104899 489913712 /nfs/dbraw/zinc/91/37/12/489913712.db2.gz PREFEVMWRSZYDH-VQIMIIECSA-N 2 2 366.506 0.206 10 0 FCAELP CN(Cc1[nH+]ccn1C)C(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000420196678 489948651 /nfs/dbraw/zinc/94/86/51/489948651.db2.gz ITDBBRHHBDDBET-UHFFFAOYSA-N 2 2 359.474 0.648 10 0 FCAELP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000420354124 489967764 /nfs/dbraw/zinc/96/77/64/489967764.db2.gz OELKDOGOHVDKDL-YOEHRIQHSA-N 2 2 369.487 0.508 10 0 FCAELP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000420354124 489967768 /nfs/dbraw/zinc/96/77/68/489967768.db2.gz OELKDOGOHVDKDL-YOEHRIQHSA-N 2 2 369.487 0.508 10 0 FCAELP CCC[NH+]1CCC(CNC(=O)C(=O)N(C)CC[NH+]2CCOCC2)CC1 ZINC000477615394 489977377 /nfs/dbraw/zinc/97/73/77/489977377.db2.gz LFKDCVRBQQMFNX-UHFFFAOYSA-N 2 2 354.495 0.015 10 0 FCAELP CCC[NH+]1CCC(CNC(=O)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000477646104 489980932 /nfs/dbraw/zinc/98/09/32/489980932.db2.gz OLBIYONLLWHXEN-UHFFFAOYSA-N 2 2 368.522 0.452 10 0 FCAELP CCC[NH+]1CCC(CNC(=O)C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000477646104 489980935 /nfs/dbraw/zinc/98/09/35/489980935.db2.gz OLBIYONLLWHXEN-UHFFFAOYSA-N 2 2 368.522 0.452 10 0 FCAELP COCC[NH2+]C1CCN(C(=O)C(=O)NCc2cn3ccc(C)cc3[nH+]2)CC1 ZINC000571219544 491293635 /nfs/dbraw/zinc/29/36/35/491293635.db2.gz JVDMGRMSMIUZLC-UHFFFAOYSA-N 2 2 373.457 0.486 10 0 FCAELP CN(C)c1nc(N2CC[NH+](C[C@@H](O)COC[C@H]3CCCO3)CC2)cc[nH+]1 ZINC000532732162 490102610 /nfs/dbraw/zinc/10/26/10/490102610.db2.gz ORGXOIULRSYDCG-HZPDHXFCSA-N 2 2 365.478 0.221 10 0 FCAELP CC(C)(CNC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1)[NH+]1CCOCC1 ZINC000532747888 490105426 /nfs/dbraw/zinc/10/54/26/490105426.db2.gz CHXVECXXIRZDFM-SJORKVTESA-N 2 2 353.507 0.962 10 0 FCAELP CC(C)(CNC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1)[NH+]1CCOCC1 ZINC000532747888 490105436 /nfs/dbraw/zinc/10/54/36/490105436.db2.gz CHXVECXXIRZDFM-SJORKVTESA-N 2 2 353.507 0.962 10 0 FCAELP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NC[C@@H](C)[NH+](CC)CC)CC1 ZINC000465536334 490128236 /nfs/dbraw/zinc/12/82/36/490128236.db2.gz ABLQGYIDAALKHE-MRXNPFEDSA-N 2 2 355.527 0.912 10 0 FCAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H]3CCCN(C)C3=O)CC2)CC1 ZINC000422023556 490128386 /nfs/dbraw/zinc/12/83/86/490128386.db2.gz PVIJGVASKCEORN-KRWDZBQOSA-N 2 2 350.507 0.873 10 0 FCAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H]3CCCN(C)C3=O)CC2)CC1 ZINC000422023556 490128391 /nfs/dbraw/zinc/12/83/91/490128391.db2.gz PVIJGVASKCEORN-KRWDZBQOSA-N 2 2 350.507 0.873 10 0 FCAELP O=C1C[C@@H]([NH2+]Cc2cc(-c3cccnc3)n[nH]2)CN1CC[NH+]1CCOCC1 ZINC000532932406 490143691 /nfs/dbraw/zinc/14/36/91/490143691.db2.gz OSLTVUJTNCSHGX-QGZVFWFLSA-N 2 2 370.457 0.494 10 0 FCAELP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000422093754 490145279 /nfs/dbraw/zinc/14/52/79/490145279.db2.gz ASHRZYKUPPSFMB-SJORKVTESA-N 2 2 366.506 0.252 10 0 FCAELP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000422093754 490145286 /nfs/dbraw/zinc/14/52/86/490145286.db2.gz ASHRZYKUPPSFMB-SJORKVTESA-N 2 2 366.506 0.252 10 0 FCAELP CC1=CC[N@H+](CCNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000545870840 490162170 /nfs/dbraw/zinc/16/21/70/490162170.db2.gz YGJYIHOYGOVSFT-UHFFFAOYSA-N 2 2 362.478 0.989 10 0 FCAELP CC1=CC[N@@H+](CCNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000545870840 490162174 /nfs/dbraw/zinc/16/21/74/490162174.db2.gz YGJYIHOYGOVSFT-UHFFFAOYSA-N 2 2 362.478 0.989 10 0 FCAELP COC[C@H](C)OC[C@@H](O)C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000447003579 490180886 /nfs/dbraw/zinc/18/08/86/490180886.db2.gz TXGLMIXNCDXEJD-GJZGRUSLSA-N 2 2 353.467 0.077 10 0 FCAELP COC[C@@H](C)OC[C@@H](O)C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000447003578 490181042 /nfs/dbraw/zinc/18/10/42/490181042.db2.gz TXGLMIXNCDXEJD-CABCVRRESA-N 2 2 353.467 0.077 10 0 FCAELP COC1CC[NH+](C2(CNC[C@@H](O)C[NH+]3CCOCC3)CCCC2)CC1 ZINC000520798257 490191823 /nfs/dbraw/zinc/19/18/23/490191823.db2.gz RPEIUXAPGQWVJC-QGZVFWFLSA-N 2 2 355.523 0.693 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC[C@@H]1CCOC1 ZINC000507371634 490206402 /nfs/dbraw/zinc/20/64/02/490206402.db2.gz RRFFSYUBWJKTSR-OAHLLOKOSA-N 2 2 354.495 0.014 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC[C@@H]1CCOC1 ZINC000507371634 490206409 /nfs/dbraw/zinc/20/64/09/490206409.db2.gz RRFFSYUBWJKTSR-OAHLLOKOSA-N 2 2 354.495 0.014 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC[C@H]1CCOC1 ZINC000507371629 490206650 /nfs/dbraw/zinc/20/66/50/490206650.db2.gz RRFFSYUBWJKTSR-HNNXBMFYSA-N 2 2 354.495 0.014 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC[C@H]1CCOC1 ZINC000507371629 490206657 /nfs/dbraw/zinc/20/66/57/490206657.db2.gz RRFFSYUBWJKTSR-HNNXBMFYSA-N 2 2 354.495 0.014 10 0 FCAELP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[C@@H]3OCC[NH+](C)[C@@H]3C2)C[C@H](C)O1 ZINC000408016630 490209005 /nfs/dbraw/zinc/20/90/05/490209005.db2.gz LPYLNYHLHUYZCZ-TWMKSMIVSA-N 2 2 354.495 0.600 10 0 FCAELP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[C@@H]3OCC[NH+](C)[C@@H]3C2)C[C@H](C)O1 ZINC000408016630 490209013 /nfs/dbraw/zinc/20/90/13/490209013.db2.gz LPYLNYHLHUYZCZ-TWMKSMIVSA-N 2 2 354.495 0.600 10 0 FCAELP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)C[C@H](C)O1 ZINC000408016630 490209022 /nfs/dbraw/zinc/20/90/22/490209022.db2.gz LPYLNYHLHUYZCZ-TWMKSMIVSA-N 2 2 354.495 0.600 10 0 FCAELP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)C[C@H](C)O1 ZINC000408016630 490209026 /nfs/dbraw/zinc/20/90/26/490209026.db2.gz LPYLNYHLHUYZCZ-TWMKSMIVSA-N 2 2 354.495 0.600 10 0 FCAELP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000408075245 490240625 /nfs/dbraw/zinc/24/06/25/490240625.db2.gz YOYUGWDDSHEUKX-BRWVUGGUSA-N 2 2 365.522 0.807 10 0 FCAELP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000521363709 490253412 /nfs/dbraw/zinc/25/34/12/490253412.db2.gz DYDFMCFVFMYOTB-CYBMUJFWSA-N 2 2 361.437 0.179 10 0 FCAELP Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000571516853 491312697 /nfs/dbraw/zinc/31/26/97/491312697.db2.gz SDKNLUPSZCNGTB-MSOLQXFVSA-N 2 2 361.465 0.847 10 0 FCAELP CCOC(=O)CN(C)C(=O)C[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000483217070 490293900 /nfs/dbraw/zinc/29/39/00/490293900.db2.gz MDUOPZGUNALNRL-UHFFFAOYSA-N 2 2 350.419 0.234 10 0 FCAELP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000547462944 490295774 /nfs/dbraw/zinc/29/57/74/490295774.db2.gz VKVTZRRTAQKJIH-KRWDZBQOSA-N 2 2 374.533 0.589 10 0 FCAELP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000547462944 490295784 /nfs/dbraw/zinc/29/57/84/490295784.db2.gz VKVTZRRTAQKJIH-KRWDZBQOSA-N 2 2 374.533 0.589 10 0 FCAELP C[N@H+](C[C@@H](O)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)C1CC1 ZINC000571485712 491311193 /nfs/dbraw/zinc/31/11/93/491311193.db2.gz SAEDLZAVTFRFPW-GOSISDBHSA-N 3 2 352.523 0.318 10 0 FCAELP C[N@@H+](C[C@@H](O)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)C1CC1 ZINC000571485712 491311195 /nfs/dbraw/zinc/31/11/95/491311195.db2.gz SAEDLZAVTFRFPW-GOSISDBHSA-N 3 2 352.523 0.318 10 0 FCAELP CCC(=O)N1CSC[C@@H]1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000522191255 490351625 /nfs/dbraw/zinc/35/16/25/490351625.db2.gz NCVMUNLVSYYLHM-OAHLLOKOSA-N 2 2 356.536 0.782 10 0 FCAELP CCC(=O)N1CSC[C@@H]1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000522191255 490351630 /nfs/dbraw/zinc/35/16/30/490351630.db2.gz NCVMUNLVSYYLHM-OAHLLOKOSA-N 2 2 356.536 0.782 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N2CC[C@@H](C[NH+](C)C)C2)C1=O ZINC000547866983 490368937 /nfs/dbraw/zinc/36/89/37/490368937.db2.gz DIDRXVUYHQVMPC-GJZGRUSLSA-N 2 2 362.478 0.504 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCNc3cc[nH+]cc3)CC2)CC1 ZINC000534525033 490375107 /nfs/dbraw/zinc/37/51/07/490375107.db2.gz YNWHJWFXWOUFPE-UHFFFAOYSA-N 3 2 360.506 0.773 10 0 FCAELP CN(C)S(=O)(=O)c1ccccc1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422817228 490479329 /nfs/dbraw/zinc/47/93/29/490479329.db2.gz HCBSCVIGOHNEAB-RDJZCZTQSA-N 2 2 353.488 0.794 10 0 FCAELP c1cnc(N2CCN(CCC[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)CC2)nc1 ZINC000422824694 490481353 /nfs/dbraw/zinc/48/13/53/490481353.db2.gz HWFYNZNGHRTXIJ-ROUUACIJSA-N 2 2 360.506 0.345 10 0 FCAELP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000548420433 490482899 /nfs/dbraw/zinc/48/28/99/490482899.db2.gz JRFWMYIEXCFKEX-BBWFWOEESA-N 2 2 350.507 0.872 10 0 FCAELP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000548420433 490482905 /nfs/dbraw/zinc/48/29/05/490482905.db2.gz JRFWMYIEXCFKEX-BBWFWOEESA-N 2 2 350.507 0.872 10 0 FCAELP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000422832278 490483365 /nfs/dbraw/zinc/48/33/65/490483365.db2.gz FMMKIAKPYRBJAD-MJGOQNOKSA-N 3 2 366.550 0.970 10 0 FCAELP c1cc(N2CCN(CCC[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)CC2)cc[nH+]1 ZINC000422843103 490485558 /nfs/dbraw/zinc/48/55/58/490485558.db2.gz HASBATVCYQAAGC-WOJBJXKFSA-N 3 2 359.518 0.950 10 0 FCAELP O[C@H](C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)COc1ccc2c(c1)OCO2 ZINC000422893499 490493164 /nfs/dbraw/zinc/49/31/64/490493164.db2.gz AASMTYAGLANLCN-XWIAVFTESA-N 2 2 350.415 0.512 10 0 FCAELP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422944524 490503544 /nfs/dbraw/zinc/50/35/44/490503544.db2.gz ZWJRCLXKVXZOJK-DLBZAZTESA-N 2 2 353.488 0.630 10 0 FCAELP O=C(NCCNc1cc[nH+]cc1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000536018421 490547059 /nfs/dbraw/zinc/54/70/59/490547059.db2.gz OOXXPARADJMNMY-QGZVFWFLSA-N 2 2 365.503 0.423 10 0 FCAELP COC1CC([NH2+]C[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)C1 ZINC000549549653 490588393 /nfs/dbraw/zinc/58/83/93/490588393.db2.gz BNYZWTNIDFISMA-FHERZECASA-N 2 2 361.490 0.600 10 0 FCAELP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)[C@H](C)C1 ZINC000526012640 490665168 /nfs/dbraw/zinc/66/51/68/490665168.db2.gz HVYNVVQZGNPYIJ-HZPDHXFCSA-N 2 2 361.490 0.361 10 0 FCAELP C[C@@H](O)C[N@H+]1CCN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)[C@H](C)C1 ZINC000526012640 490665173 /nfs/dbraw/zinc/66/51/73/490665173.db2.gz HVYNVVQZGNPYIJ-HZPDHXFCSA-N 2 2 361.490 0.361 10 0 FCAELP CC[C@H](CO)[NH+]1CCN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC1 ZINC000537581591 490683607 /nfs/dbraw/zinc/68/36/07/490683607.db2.gz DUMBAZWUUDUCFV-CYBMUJFWSA-N 2 2 360.462 0.563 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc2[nH+]1 ZINC000527124274 490701384 /nfs/dbraw/zinc/70/13/84/490701384.db2.gz RXDGGCZUSBUOMT-UHFFFAOYSA-N 3 2 360.462 0.533 10 0 FCAELP C[C@@H]1C[C@H]1N1C[C@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CC1=O ZINC000537985306 490703365 /nfs/dbraw/zinc/70/33/65/490703365.db2.gz YZXSYAQOAXDDOK-KBAYOESNSA-N 2 2 350.507 0.382 10 0 FCAELP C[C@@H]1C[C@H]1N1C[C@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CC1=O ZINC000537985306 490703368 /nfs/dbraw/zinc/70/33/68/490703368.db2.gz YZXSYAQOAXDDOK-KBAYOESNSA-N 2 2 350.507 0.382 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000538404028 490731191 /nfs/dbraw/zinc/73/11/91/490731191.db2.gz OQPORZPLUWGFBT-UHFFFAOYSA-N 2 2 374.489 0.386 10 0 FCAELP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000503514841 490760523 /nfs/dbraw/zinc/76/05/23/490760523.db2.gz BFVUMUXILBHJAG-AEFFLSMTSA-N 2 2 358.486 0.917 10 0 FCAELP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000503514841 490760525 /nfs/dbraw/zinc/76/05/25/490760525.db2.gz BFVUMUXILBHJAG-AEFFLSMTSA-N 2 2 358.486 0.917 10 0 FCAELP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000527810983 490761220 /nfs/dbraw/zinc/76/12/20/490761220.db2.gz SQKDEBXQPLEZCV-MRXNPFEDSA-N 2 2 354.495 0.603 10 0 FCAELP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000527810983 490761223 /nfs/dbraw/zinc/76/12/23/490761223.db2.gz SQKDEBXQPLEZCV-MRXNPFEDSA-N 2 2 354.495 0.603 10 0 FCAELP COC(=O)CC[N@@H+]1CCN(C(=O)NCCCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000539190457 490767505 /nfs/dbraw/zinc/76/75/05/490767505.db2.gz DIDVRCWMSWOTRJ-INIZCTEOSA-N 2 2 370.494 0.378 10 0 FCAELP COC(=O)CC[N@H+]1CCN(C(=O)NCCCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000539190457 490767507 /nfs/dbraw/zinc/76/75/07/490767507.db2.gz DIDVRCWMSWOTRJ-INIZCTEOSA-N 2 2 370.494 0.378 10 0 FCAELP Cc1c[nH+]cn1CC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000529039885 490838576 /nfs/dbraw/zinc/83/85/76/490838576.db2.gz PKOQTWLGOXINGH-UHFFFAOYSA-N 2 2 365.459 0.670 10 0 FCAELP CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529329885 490853631 /nfs/dbraw/zinc/85/36/31/490853631.db2.gz JCLIHDUERKBFJQ-AWEZNQCLSA-N 2 2 363.466 0.316 10 0 FCAELP Cc1cc(CNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc(C)[nH+]1 ZINC000529345727 490855107 /nfs/dbraw/zinc/85/51/07/490855107.db2.gz WQVNJYQOUAWDMF-UHFFFAOYSA-N 2 2 360.462 0.551 10 0 FCAELP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[C@@H]1NC(=O)Cn1c[nH+]cc1C ZINC000529519928 490861769 /nfs/dbraw/zinc/86/17/69/490861769.db2.gz WOZJIELTXFPSII-HOTGVXAUSA-N 2 2 358.446 0.940 10 0 FCAELP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)S4(=O)=O)cn2)CC1 ZINC000529670249 490864370 /nfs/dbraw/zinc/86/43/70/490864370.db2.gz ASZBIWNLLJLIMS-CVEARBPZSA-N 2 2 365.503 0.380 10 0 FCAELP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H]4CC[C@@H](C3)S4(=O)=O)cn2)CC1 ZINC000529670249 490864371 /nfs/dbraw/zinc/86/43/71/490864371.db2.gz ASZBIWNLLJLIMS-CVEARBPZSA-N 2 2 365.503 0.380 10 0 FCAELP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000529755312 490874560 /nfs/dbraw/zinc/87/45/60/490874560.db2.gz ZARULOXZWXRNLP-HXUWFJFHSA-N 2 2 365.518 0.983 10 0 FCAELP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000529755312 490874563 /nfs/dbraw/zinc/87/45/63/490874563.db2.gz ZARULOXZWXRNLP-HXUWFJFHSA-N 2 2 365.518 0.983 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000542116585 490885968 /nfs/dbraw/zinc/88/59/68/490885968.db2.gz SXVLMDMQJAKDFN-DZGCQCFKSA-N 2 2 360.462 0.447 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1=O ZINC000542116585 490885969 /nfs/dbraw/zinc/88/59/69/490885969.db2.gz SXVLMDMQJAKDFN-DZGCQCFKSA-N 2 2 360.462 0.447 10 0 FCAELP C[C@H]([C@H](C)NC(=O)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[NH+]1CCOCC1 ZINC000572268208 491359549 /nfs/dbraw/zinc/35/95/49/491359549.db2.gz JSFJALGUGNSMDZ-VVLHAWIVSA-N 2 2 368.522 0.591 10 0 FCAELP C[C@H]([C@H](C)NC(=O)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[NH+]1CCOCC1 ZINC000572268208 491359552 /nfs/dbraw/zinc/35/95/52/491359552.db2.gz JSFJALGUGNSMDZ-VVLHAWIVSA-N 2 2 368.522 0.591 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]C2CCN(c3cnccn3)CC2)C1=O ZINC000542161101 490887939 /nfs/dbraw/zinc/88/79/39/490887939.db2.gz XWVVGBLQLWVHCK-MRXNPFEDSA-N 2 2 369.473 0.960 10 0 FCAELP CC(C)[NH+]1CCN(CCC[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000530223684 490893818 /nfs/dbraw/zinc/89/38/18/490893818.db2.gz ORBDPCMFLRTUOO-UHFFFAOYSA-N 3 2 366.554 0.045 10 0 FCAELP C[C@H](CN1CC[NH+](C)CC1)NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000517354871 490905078 /nfs/dbraw/zinc/90/50/78/490905078.db2.gz GEHZQGOQGZHBDZ-LJQANCHMSA-N 2 2 373.545 0.556 10 0 FCAELP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000517354871 490905081 /nfs/dbraw/zinc/90/50/81/490905081.db2.gz GEHZQGOQGZHBDZ-LJQANCHMSA-N 2 2 373.545 0.556 10 0 FCAELP C[C@@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ncnn1C ZINC000530439267 490906229 /nfs/dbraw/zinc/90/62/29/490906229.db2.gz FUOOTYITRFJCKM-JZWPEALZSA-N 2 2 361.494 0.829 10 0 FCAELP C[C@@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1ncnn1C ZINC000530439267 490906231 /nfs/dbraw/zinc/90/62/31/490906231.db2.gz FUOOTYITRFJCKM-JZWPEALZSA-N 2 2 361.494 0.829 10 0 FCAELP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CC[N@@H+]1C ZINC000543044509 490919622 /nfs/dbraw/zinc/91/96/22/490919622.db2.gz PENXLPMATCGTKA-ILXRZTDVSA-N 2 2 362.478 0.693 10 0 FCAELP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CC[N@H+]1C ZINC000543044509 490919624 /nfs/dbraw/zinc/91/96/24/490919624.db2.gz PENXLPMATCGTKA-ILXRZTDVSA-N 2 2 362.478 0.693 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1=O ZINC000543053178 490920287 /nfs/dbraw/zinc/92/02/87/490920287.db2.gz BXAYMRMZIDUVPG-HOTGVXAUSA-N 2 2 374.489 0.791 10 0 FCAELP O=C(C[N@@H+]1CCN2CCOC[C@H]2C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000543555479 490936592 /nfs/dbraw/zinc/93/65/92/490936592.db2.gz SSBFMROQHSNDPV-HXUWFJFHSA-N 2 2 372.513 0.915 10 0 FCAELP O=C(C[N@H+]1CCN2CCOC[C@H]2C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000543555479 490936594 /nfs/dbraw/zinc/93/65/94/490936594.db2.gz SSBFMROQHSNDPV-HXUWFJFHSA-N 2 2 372.513 0.915 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)C1=O ZINC000518522201 490944253 /nfs/dbraw/zinc/94/42/53/490944253.db2.gz RSKBCWVINLAOFH-ARFHVFGLSA-N 2 2 374.489 0.647 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C1=O ZINC000518522201 490944255 /nfs/dbraw/zinc/94/42/55/490944255.db2.gz RSKBCWVINLAOFH-ARFHVFGLSA-N 2 2 374.489 0.647 10 0 FCAELP O=C(N1CC[C@@H](OCC[NH+]2CCCC2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000543935541 490952405 /nfs/dbraw/zinc/95/24/05/490952405.db2.gz RXWIMNZQCCPBMW-QGZVFWFLSA-N 2 2 351.491 0.955 10 0 FCAELP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000543979454 490953785 /nfs/dbraw/zinc/95/37/85/490953785.db2.gz MORXGONZLWVYTM-HUUCEWRRSA-N 2 2 364.494 0.941 10 0 FCAELP C[C@@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC(=O)N1 ZINC000518921499 490955523 /nfs/dbraw/zinc/95/55/23/490955523.db2.gz ASNJGGVIRXXECS-OAHLLOKOSA-N 2 2 351.495 0.467 10 0 FCAELP CC[NH+]1CCC(CCNC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000553903460 491163116 /nfs/dbraw/zinc/16/31/16/491163116.db2.gz JAOOYKGKKKWDLX-UHFFFAOYSA-N 2 2 368.522 0.452 10 0 FCAELP CC[NH+]1CCC(CCNC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000553903460 491163118 /nfs/dbraw/zinc/16/31/18/491163118.db2.gz JAOOYKGKKKWDLX-UHFFFAOYSA-N 2 2 368.522 0.452 10 0 FCAELP CC[NH+]1CCN(c2ccccc2NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1 ZINC000562746686 491186265 /nfs/dbraw/zinc/18/62/65/491186265.db2.gz CFSQYWNFRNELNK-MRXNPFEDSA-N 3 2 360.506 0.935 10 0 FCAELP CC[NH+]1CCN(c2ccccc2NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1 ZINC000562746686 491186270 /nfs/dbraw/zinc/18/62/70/491186270.db2.gz CFSQYWNFRNELNK-MRXNPFEDSA-N 3 2 360.506 0.935 10 0 FCAELP CC[N@H+](CCNC(=O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1)C1CC1 ZINC000557380680 491370962 /nfs/dbraw/zinc/37/09/62/491370962.db2.gz HEBPBAVNMYCZQM-UHFFFAOYSA-N 2 2 359.474 0.639 10 0 FCAELP CC[N@@H+](CCNC(=O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1)C1CC1 ZINC000557380680 491370964 /nfs/dbraw/zinc/37/09/64/491370964.db2.gz HEBPBAVNMYCZQM-UHFFFAOYSA-N 2 2 359.474 0.639 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000572649077 491384619 /nfs/dbraw/zinc/38/46/19/491384619.db2.gz ZUPLMSXVEBMRSB-PKOBYXMFSA-N 3 2 352.523 0.535 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000572649077 491384623 /nfs/dbraw/zinc/38/46/23/491384623.db2.gz ZUPLMSXVEBMRSB-PKOBYXMFSA-N 3 2 352.523 0.535 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000572649077 491384627 /nfs/dbraw/zinc/38/46/27/491384627.db2.gz ZUPLMSXVEBMRSB-PKOBYXMFSA-N 3 2 352.523 0.535 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000572649077 491384629 /nfs/dbraw/zinc/38/46/29/491384629.db2.gz ZUPLMSXVEBMRSB-PKOBYXMFSA-N 3 2 352.523 0.535 10 0 FCAELP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccco1 ZINC000668356487 493339084 /nfs/dbraw/zinc/33/90/84/493339084.db2.gz RAAVGVQQLDYVGS-KGLIPLIRSA-N 2 2 350.463 0.988 10 0 FCAELP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)c1ccco1 ZINC000668356487 493339086 /nfs/dbraw/zinc/33/90/86/493339086.db2.gz RAAVGVQQLDYVGS-KGLIPLIRSA-N 2 2 350.463 0.988 10 0 FCAELP COc1ccccc1N1CCC(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1 ZINC000566667882 491459136 /nfs/dbraw/zinc/45/91/36/491459136.db2.gz RBNKTOPKNWLXMG-MRXNPFEDSA-N 2 2 361.490 0.948 10 0 FCAELP COc1ccccc1N1CCC(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1 ZINC000566667882 491459137 /nfs/dbraw/zinc/45/91/37/491459137.db2.gz RBNKTOPKNWLXMG-MRXNPFEDSA-N 2 2 361.490 0.948 10 0 FCAELP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000567038417 491481958 /nfs/dbraw/zinc/48/19/58/491481958.db2.gz LZDRGGYMUSYQOT-GOEBONIOSA-N 2 2 365.478 0.008 10 0 FCAELP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000567038417 491481959 /nfs/dbraw/zinc/48/19/59/491481959.db2.gz LZDRGGYMUSYQOT-GOEBONIOSA-N 2 2 365.478 0.008 10 0 FCAELP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000567038417 491481961 /nfs/dbraw/zinc/48/19/61/491481961.db2.gz LZDRGGYMUSYQOT-GOEBONIOSA-N 2 2 365.478 0.008 10 0 FCAELP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000567038417 491481963 /nfs/dbraw/zinc/48/19/63/491481963.db2.gz LZDRGGYMUSYQOT-GOEBONIOSA-N 2 2 365.478 0.008 10 0 FCAELP CC[NH+](C)C[C@@H](O)C[NH+]1CCN(C[C@H](O)C[N@@H+](C)CC)[C@@H]2CCCC[C@H]21 ZINC000574337086 491489757 /nfs/dbraw/zinc/48/97/57/491489757.db2.gz MUCWXSXWECTMDQ-UAFMIMERSA-N 3 2 370.582 0.540 10 0 FCAELP CC[NH+](C)C[C@@H](O)C[NH+]1CCN(C[C@H](O)C[N@H+](C)CC)[C@@H]2CCCC[C@H]21 ZINC000574337086 491489761 /nfs/dbraw/zinc/48/97/61/491489761.db2.gz MUCWXSXWECTMDQ-UAFMIMERSA-N 3 2 370.582 0.540 10 0 FCAELP CC[NH+](C)C[C@@H](O)C[N@H+]1CCN(C[C@H](O)C[NH+](C)CC)[C@@H]2CCCC[C@H]21 ZINC000574337086 491489764 /nfs/dbraw/zinc/48/97/64/491489764.db2.gz MUCWXSXWECTMDQ-UAFMIMERSA-N 3 2 370.582 0.540 10 0 FCAELP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCN(C[C@H](O)C[NH+](C)CC)[C@@H]2CCCC[C@H]21 ZINC000574337086 491489766 /nfs/dbraw/zinc/48/97/66/491489766.db2.gz MUCWXSXWECTMDQ-UAFMIMERSA-N 3 2 370.582 0.540 10 0 FCAELP Fc1cc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cnc1N1CCOCC1 ZINC000574392367 491493220 /nfs/dbraw/zinc/49/32/20/491493220.db2.gz RZMQCUBOKSBHGI-IAGOWNOFSA-N 2 2 350.438 0.914 10 0 FCAELP CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000567250178 491494511 /nfs/dbraw/zinc/49/45/11/491494511.db2.gz CRWWWTCGMLUALL-CABCVRRESA-N 2 2 354.401 0.633 10 0 FCAELP CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000567250178 491494513 /nfs/dbraw/zinc/49/45/13/491494513.db2.gz CRWWWTCGMLUALL-CABCVRRESA-N 2 2 354.401 0.633 10 0 FCAELP C[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)[C@H](C[NH3+])C1 ZINC000567500281 491510456 /nfs/dbraw/zinc/51/04/56/491510456.db2.gz VBJKCUWVGOXBQD-XHDPSFHLSA-N 2 2 352.385 0.419 10 0 FCAELP C[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)[C@H](C[NH3+])C1 ZINC000567500281 491510459 /nfs/dbraw/zinc/51/04/59/491510459.db2.gz VBJKCUWVGOXBQD-XHDPSFHLSA-N 2 2 352.385 0.419 10 0 FCAELP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000567572198 491514502 /nfs/dbraw/zinc/51/45/02/491514502.db2.gz HPIMGSHMRBFXQV-RRFJBIMHSA-N 2 2 362.478 0.822 10 0 FCAELP CC(C)[C@H](CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C)[NH+]1CCN(C)CC1 ZINC000560056575 491518165 /nfs/dbraw/zinc/51/81/65/491518165.db2.gz WPRQWMKIAYOHMN-NHAYFPRASA-N 2 2 366.550 0.907 10 0 FCAELP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@H](Nc4ncccn4)C3)cn2)CC1 ZINC000567614448 491518297 /nfs/dbraw/zinc/51/82/97/491518297.db2.gz LWBNLZBUFXQOMN-MRXNPFEDSA-N 2 2 354.462 0.705 10 0 FCAELP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@H](Nc4ncccn4)C3)cn2)CC1 ZINC000567614448 491518298 /nfs/dbraw/zinc/51/82/98/491518298.db2.gz LWBNLZBUFXQOMN-MRXNPFEDSA-N 2 2 354.462 0.705 10 0 FCAELP CN(CCCN(C)C(=O)C[NH+]1CC(C)(C)C1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000575193627 491544678 /nfs/dbraw/zinc/54/46/78/491544678.db2.gz MJXVXYISFISXFN-UHFFFAOYSA-N 2 2 352.523 0.977 10 0 FCAELP O=C(Cn1cc[nH+]c1)NCC1(CNC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC000560872797 491560953 /nfs/dbraw/zinc/56/09/53/491560953.db2.gz HKSVMWQVYULCHZ-UHFFFAOYSA-N 2 2 358.446 0.963 10 0 FCAELP CC(C)[C@H](CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)[NH+]1CCOCC1 ZINC000560987499 491568441 /nfs/dbraw/zinc/56/84/41/491568441.db2.gz WWHAFOYZYHMHAL-HNNXBMFYSA-N 2 2 359.430 0.746 10 0 FCAELP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)N2CCOC3(C[NH2+]C3)C2)cc1 ZINC000561146370 491578472 /nfs/dbraw/zinc/57/84/72/491578472.db2.gz BTYXCSOOXWDAJG-GOSISDBHSA-N 2 2 374.485 0.752 10 0 FCAELP CN1CCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)[C@H](C[NH3+])C1 ZINC000561180860 491580962 /nfs/dbraw/zinc/58/09/62/491580962.db2.gz GXJRWLHUVWRICB-QGZVFWFLSA-N 3 2 366.554 0.221 10 0 FCAELP CCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)[C@@H]1CC[N@H+](C)C1 ZINC000668427239 493352208 /nfs/dbraw/zinc/35/22/08/493352208.db2.gz GANUWZAALDONPZ-CVEARBPZSA-N 2 2 354.495 0.012 10 0 FCAELP CCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000668427239 493352211 /nfs/dbraw/zinc/35/22/11/493352211.db2.gz GANUWZAALDONPZ-CVEARBPZSA-N 2 2 354.495 0.012 10 0 FCAELP CC(C)[C@H](CNC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C)[NH+]1CCN(C)CC1 ZINC000568738276 491604979 /nfs/dbraw/zinc/60/49/79/491604979.db2.gz OKIHVGQSULBVNQ-KURKYZTESA-N 2 2 369.554 0.355 10 0 FCAELP CC(C)[C@H](CNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C)[NH+]1CCN(C)CC1 ZINC000568738276 491604983 /nfs/dbraw/zinc/60/49/83/491604983.db2.gz OKIHVGQSULBVNQ-KURKYZTESA-N 2 2 369.554 0.355 10 0 FCAELP CC(C)[C@H](CNC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000568738276 491604984 /nfs/dbraw/zinc/60/49/84/491604984.db2.gz OKIHVGQSULBVNQ-KURKYZTESA-N 2 2 369.554 0.355 10 0 FCAELP CC(C)[C@H](CNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000568738276 491604987 /nfs/dbraw/zinc/60/49/87/491604987.db2.gz OKIHVGQSULBVNQ-KURKYZTESA-N 2 2 369.554 0.355 10 0 FCAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000561879096 491637297 /nfs/dbraw/zinc/63/72/97/491637297.db2.gz PGENEIIOTQNEEW-UHFFFAOYSA-N 2 2 365.441 0.992 10 0 FCAELP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000576737300 491640367 /nfs/dbraw/zinc/64/03/67/491640367.db2.gz XZGWRNQGJNOFPG-OWCLPIDISA-N 2 2 359.474 0.819 10 0 FCAELP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000576737300 491640371 /nfs/dbraw/zinc/64/03/71/491640371.db2.gz XZGWRNQGJNOFPG-OWCLPIDISA-N 2 2 359.474 0.819 10 0 FCAELP C[NH+]1CCC(CNC(=O)C(=O)NCC2(C)COC2)([NH+]2CCCCC2)CC1 ZINC000561995355 491644899 /nfs/dbraw/zinc/64/48/99/491644899.db2.gz HSVVSXWFUDCHHU-UHFFFAOYSA-N 2 2 366.506 0.206 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)NCCN2CC[NH2+]CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000577725835 491645748 /nfs/dbraw/zinc/64/57/48/491645748.db2.gz WABUIUBDJVUMBH-IRXDYDNUSA-N 2 2 367.444 0.914 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)NCCN2CC[NH2+]CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000577725835 491645750 /nfs/dbraw/zinc/64/57/50/491645750.db2.gz WABUIUBDJVUMBH-IRXDYDNUSA-N 2 2 367.444 0.914 10 0 FCAELP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCOC[C@H](O)C2)CC1 ZINC000576821281 491647639 /nfs/dbraw/zinc/64/76/39/491647639.db2.gz COSCXBBVNKKDBC-LJQANCHMSA-N 2 2 361.486 0.769 10 0 FCAELP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCOC[C@H](O)C2)CC1 ZINC000576821281 491647642 /nfs/dbraw/zinc/64/76/42/491647642.db2.gz COSCXBBVNKKDBC-LJQANCHMSA-N 2 2 361.486 0.769 10 0 FCAELP CC[C@@H](Cn1cncn1)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000562095878 491653310 /nfs/dbraw/zinc/65/33/10/491653310.db2.gz MGJSZOHVIUTXSB-INIZCTEOSA-N 2 2 357.462 0.780 10 0 FCAELP O=C(CCOC1C[NH2+]C1)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000578190103 491671842 /nfs/dbraw/zinc/67/18/42/491671842.db2.gz UWQPDTFKKQAKDE-UHFFFAOYSA-N 2 2 360.458 0.584 10 0 FCAELP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CC3CCC2(C[NH3+])CC3)c1 ZINC000578881897 491686353 /nfs/dbraw/zinc/68/63/53/491686353.db2.gz HJVQKPPHBJMHEB-UHFFFAOYSA-N 2 2 366.487 0.866 10 0 FCAELP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2CC3CCC2(C[NH3+])CC3)c1 ZINC000578881897 491686354 /nfs/dbraw/zinc/68/63/54/491686354.db2.gz HJVQKPPHBJMHEB-UHFFFAOYSA-N 2 2 366.487 0.866 10 0 FCAELP C[C@@]1(F)C[NH2+]CCN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000579332198 491695530 /nfs/dbraw/zinc/69/55/30/491695530.db2.gz QBFUXWWVQUSDAN-QGZVFWFLSA-N 2 2 351.426 0.761 10 0 FCAELP O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)N1CCOC2(C[NH2+]C2)C1 ZINC000584579791 491708399 /nfs/dbraw/zinc/70/83/99/491708399.db2.gz NEVLJZPFCYJYRO-QGZVFWFLSA-N 2 2 360.458 0.444 10 0 FCAELP O=C(C(=O)N1CC[NH2+]C[C@H]1c1cccnc1)N1CC[NH+](C2CCC2)CC1 ZINC000579942304 491710236 /nfs/dbraw/zinc/71/02/36/491710236.db2.gz WCJSCSOUDXTPTL-KRWDZBQOSA-N 2 2 357.458 0.251 10 0 FCAELP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000580822803 491747108 /nfs/dbraw/zinc/74/71/08/491747108.db2.gz HWPYDOQYZMUWFT-HZPDHXFCSA-N 2 2 374.489 0.418 10 0 FCAELP O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000580827897 491747553 /nfs/dbraw/zinc/74/75/53/491747553.db2.gz CXDSNLKBITZEOX-INIZCTEOSA-N 2 2 355.446 0.556 10 0 FCAELP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc[nH+]c2N(C)C)[C@@H](C)C1 ZINC000581898724 491789565 /nfs/dbraw/zinc/78/95/65/491789565.db2.gz IBGKCDWUWPJVSI-GOEBONIOSA-N 2 2 361.490 0.953 10 0 FCAELP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc[nH+]c2N(C)C)[C@@H](C)C1 ZINC000581898724 491789567 /nfs/dbraw/zinc/78/95/67/491789567.db2.gz IBGKCDWUWPJVSI-GOEBONIOSA-N 2 2 361.490 0.953 10 0 FCAELP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000583102563 491838070 /nfs/dbraw/zinc/83/80/70/491838070.db2.gz JKWJKDGZEKJMRK-RDJZCZTQSA-N 2 2 364.490 0.053 10 0 FCAELP O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000583102563 491838071 /nfs/dbraw/zinc/83/80/71/491838071.db2.gz JKWJKDGZEKJMRK-RDJZCZTQSA-N 2 2 364.490 0.053 10 0 FCAELP COC(=O)c1cc(C[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)cn1C ZINC000583171833 491839533 /nfs/dbraw/zinc/83/95/33/491839533.db2.gz HUQBJXPUFATZAT-CQSZACIVSA-N 2 2 359.430 0.826 10 0 FCAELP CCOC(CNC(=O)C[NH+]1CC(C)(C)C1)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000584300887 491862626 /nfs/dbraw/zinc/86/26/26/491862626.db2.gz DAMLSRRTRWIDDQ-UHFFFAOYSA-N 2 2 368.522 0.308 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc([S@](C)=O)c1 ZINC000595125248 491886420 /nfs/dbraw/zinc/88/64/20/491886420.db2.gz LKTRDWOFTWNRGG-VWLOTQADSA-N 2 2 368.503 0.362 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc([S@](C)=O)c1 ZINC000595125248 491886423 /nfs/dbraw/zinc/88/64/23/491886423.db2.gz LKTRDWOFTWNRGG-VWLOTQADSA-N 2 2 368.503 0.362 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000612039533 491894083 /nfs/dbraw/zinc/89/40/83/491894083.db2.gz FUANHFSOESVRIP-JONQDZQNSA-N 2 2 368.522 0.589 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000612039533 491894085 /nfs/dbraw/zinc/89/40/85/491894085.db2.gz FUANHFSOESVRIP-JONQDZQNSA-N 2 2 368.522 0.589 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH+](C(C)(C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000612039533 491894087 /nfs/dbraw/zinc/89/40/87/491894087.db2.gz FUANHFSOESVRIP-JONQDZQNSA-N 2 2 368.522 0.589 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH+](C(C)(C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 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/nfs/dbraw/zinc/96/05/95/491960595.db2.gz RNDHYUUXBGTPIJ-HOTGVXAUSA-N 2 2 355.479 0.583 10 0 FCAELP COC(=O)CCN1CCC[C@H]([N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)C1=O ZINC000595905714 491960597 /nfs/dbraw/zinc/96/05/97/491960597.db2.gz RNDHYUUXBGTPIJ-HOTGVXAUSA-N 2 2 355.479 0.583 10 0 FCAELP CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602195902 491967556 /nfs/dbraw/zinc/96/75/56/491967556.db2.gz PEDGQNPCFPISTL-DOTOQJQBSA-N 2 2 350.507 0.918 10 0 FCAELP CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602195902 491967558 /nfs/dbraw/zinc/96/75/58/491967558.db2.gz PEDGQNPCFPISTL-DOTOQJQBSA-N 2 2 350.507 0.918 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCCN3CCCC3=O)C2)CC1 ZINC000602391136 491983578 /nfs/dbraw/zinc/98/35/78/491983578.db2.gz PGKWYGFUQNGBFK-OAHLLOKOSA-N 2 2 351.495 0.467 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCCN3CCCC3=O)C2)CC1 ZINC000602391136 491983580 /nfs/dbraw/zinc/98/35/80/491983580.db2.gz PGKWYGFUQNGBFK-OAHLLOKOSA-N 2 2 351.495 0.467 10 0 FCAELP O=C(Cc1c[nH+]cn1Cc1ccccc1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614505001 492034535 /nfs/dbraw/zinc/03/45/35/492034535.db2.gz HMYSFWPIWPSDQE-LJQANCHMSA-N 2 2 353.470 0.980 10 0 FCAELP O=C(Cc1c[nH+]cn1Cc1ccccc1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000614505001 492034537 /nfs/dbraw/zinc/03/45/37/492034537.db2.gz HMYSFWPIWPSDQE-LJQANCHMSA-N 2 2 353.470 0.980 10 0 FCAELP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000614508051 492034666 /nfs/dbraw/zinc/03/46/66/492034666.db2.gz SKYGSGNKOBAAOE-SFHVURJKSA-N 2 2 372.517 0.100 10 0 FCAELP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000614508051 492034668 /nfs/dbraw/zinc/03/46/68/492034668.db2.gz SKYGSGNKOBAAOE-SFHVURJKSA-N 2 2 372.517 0.100 10 0 FCAELP CCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000604209498 492055108 /nfs/dbraw/zinc/05/51/08/492055108.db2.gz OGNONFGKRCIJDQ-HZPDHXFCSA-N 2 2 365.522 0.855 10 0 FCAELP CCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000604209498 492055109 /nfs/dbraw/zinc/05/51/09/492055109.db2.gz OGNONFGKRCIJDQ-HZPDHXFCSA-N 2 2 365.522 0.855 10 0 FCAELP C[NH+]1CCN(c2cc(C(=O)N3CC(C[NH+]4CCOCC4)C3)ccn2)CC1 ZINC000615146886 492075819 /nfs/dbraw/zinc/07/58/19/492075819.db2.gz WSKOLZCXKKRURA-UHFFFAOYSA-N 2 2 359.474 0.238 10 0 FCAELP CN1C[C@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCC1=O ZINC000606500029 492124163 /nfs/dbraw/zinc/12/41/63/492124163.db2.gz XVHJVUAYONYGCL-OAHLLOKOSA-N 2 2 351.495 0.465 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCC[C@H](C(N)=O)C3)C2)CC1 ZINC000606690800 492126863 /nfs/dbraw/zinc/12/68/63/492126863.db2.gz NFFSJNNLPDUPAN-ZNMIVQPWSA-N 2 2 351.495 0.498 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCC[C@H](C(N)=O)C3)C2)CC1 ZINC000606690800 492126864 /nfs/dbraw/zinc/12/68/64/492126864.db2.gz NFFSJNNLPDUPAN-ZNMIVQPWSA-N 2 2 351.495 0.498 10 0 FCAELP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000617015204 492151887 /nfs/dbraw/zinc/15/18/87/492151887.db2.gz XONJSTDGJHTANG-HOTGVXAUSA-N 2 2 366.506 0.156 10 0 FCAELP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000617015204 492151888 /nfs/dbraw/zinc/15/18/88/492151888.db2.gz XONJSTDGJHTANG-HOTGVXAUSA-N 2 2 366.506 0.156 10 0 FCAELP C[C@@H]1C[N@H+](CCNC(=O)C2CC[NH+](Cc3nccn3C)CC2)[C@@H](C)CO1 ZINC000617730543 492185550 /nfs/dbraw/zinc/18/55/50/492185550.db2.gz OCVOSKAUCIPOTF-JKSUJKDBSA-N 2 2 363.506 0.858 10 0 FCAELP C[C@@H]1C[N@@H+](CCNC(=O)C2CC[NH+](Cc3nccn3C)CC2)[C@@H](C)CO1 ZINC000617730543 492185552 /nfs/dbraw/zinc/18/55/52/492185552.db2.gz OCVOSKAUCIPOTF-JKSUJKDBSA-N 2 2 363.506 0.858 10 0 FCAELP C[C@H]1CC(=O)NCCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000608718934 492189481 /nfs/dbraw/zinc/18/94/81/492189481.db2.gz ZEYXTDWRXMUZKK-INIZCTEOSA-N 2 2 365.522 0.857 10 0 FCAELP CCS(=O)(=O)N1CCC[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000617767295 492190543 /nfs/dbraw/zinc/19/05/43/492190543.db2.gz NSGPPTYBYNVUHZ-HNNXBMFYSA-N 2 2 362.540 0.048 10 0 FCAELP CCS(=O)(=O)N1CCC[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000617767295 492190545 /nfs/dbraw/zinc/19/05/45/492190545.db2.gz NSGPPTYBYNVUHZ-HNNXBMFYSA-N 2 2 362.540 0.048 10 0 FCAELP CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617766825 492190710 /nfs/dbraw/zinc/19/07/10/492190710.db2.gz WDZBSFWDTVGBFL-HUUCEWRRSA-N 2 2 358.552 0.934 10 0 FCAELP CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617766825 492190711 /nfs/dbraw/zinc/19/07/11/492190711.db2.gz WDZBSFWDTVGBFL-HUUCEWRRSA-N 2 2 358.552 0.934 10 0 FCAELP O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000627440916 492296856 /nfs/dbraw/zinc/29/68/56/492296856.db2.gz XNQPEGNIVXNMAX-HOTGVXAUSA-N 2 2 364.490 0.101 10 0 FCAELP C[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)[C@H](c2ccccc2)C1 ZINC000627442730 492297544 /nfs/dbraw/zinc/29/75/44/492297544.db2.gz QNSWMVLLGBDOBN-IRXDYDNUSA-N 2 2 356.470 0.903 10 0 FCAELP C[N@H+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)[C@H](c2ccccc2)C1 ZINC000627442730 492297548 /nfs/dbraw/zinc/29/75/48/492297548.db2.gz QNSWMVLLGBDOBN-IRXDYDNUSA-N 2 2 356.470 0.903 10 0 FCAELP Cc1cc(NCCNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)nc(C(C)C)[nH+]1 ZINC000627447388 492299842 /nfs/dbraw/zinc/29/98/42/492299842.db2.gz ILQNXLDOXBEVFA-AWEZNQCLSA-N 2 2 374.489 0.837 10 0 FCAELP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654431928 492301849 /nfs/dbraw/zinc/30/18/49/492301849.db2.gz CQIDHXGIUZOKKB-TWMKSMIVSA-N 2 2 355.527 0.419 10 0 FCAELP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654431928 492301852 /nfs/dbraw/zinc/30/18/52/492301852.db2.gz CQIDHXGIUZOKKB-TWMKSMIVSA-N 2 2 355.527 0.419 10 0 FCAELP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654431928 492301854 /nfs/dbraw/zinc/30/18/54/492301854.db2.gz CQIDHXGIUZOKKB-TWMKSMIVSA-N 2 2 355.527 0.419 10 0 FCAELP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654431928 492301856 /nfs/dbraw/zinc/30/18/56/492301856.db2.gz CQIDHXGIUZOKKB-TWMKSMIVSA-N 2 2 355.527 0.419 10 0 FCAELP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CCOCC1 ZINC000627454616 492302149 /nfs/dbraw/zinc/30/21/49/492302149.db2.gz UMXLKYNCOKXYRA-UHFFFAOYSA-N 2 2 366.487 0.016 10 0 FCAELP C[NH2+]CCOCCNC(=O)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000627462674 492305406 /nfs/dbraw/zinc/30/54/06/492305406.db2.gz ADLPEOZKBCKIRF-UHFFFAOYSA-N 2 2 352.435 0.018 10 0 FCAELP CCN1C(=O)CO[C@H](C(=O)NC[C@@H](C)C[NH+](C)C)[C@H]1c1[nH+]ccn1C ZINC000627476740 492314681 /nfs/dbraw/zinc/31/46/81/492314681.db2.gz KQPFFLGWBZKAID-SNPRPXQTSA-N 2 2 351.451 0.022 10 0 FCAELP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+][C@H]3C)CC2)c1 ZINC000627501525 492324972 /nfs/dbraw/zinc/32/49/72/492324972.db2.gz NXMQTNIHZAFGKW-RLFYNMQTSA-N 2 2 374.485 0.767 10 0 FCAELP 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ZINC000628133657 492473857 /nfs/dbraw/zinc/47/38/57/492473857.db2.gz LRRGHVVLYZWYCP-IBGZPJMESA-N 2 2 358.442 0.571 10 0 FCAELP O=C1c2ccccc2C(=O)N1Cc1n[nH]cc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000628191167 492479621 /nfs/dbraw/zinc/47/96/21/492479621.db2.gz BKGVLMVUVCGPCM-STQMWFEESA-N 2 2 351.410 0.857 10 0 FCAELP C[C@@H](C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655801868 492481132 /nfs/dbraw/zinc/48/11/32/492481132.db2.gz BYHWSNBXHIDCGZ-GBESFXJTSA-N 2 2 368.566 0.870 10 0 FCAELP C[C@@H](C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655801868 492481133 /nfs/dbraw/zinc/48/11/33/492481133.db2.gz BYHWSNBXHIDCGZ-GBESFXJTSA-N 2 2 368.566 0.870 10 0 FCAELP Cn1ccnc1C[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000622631721 492481480 /nfs/dbraw/zinc/48/14/80/492481480.db2.gz TZKITAUFYMCFAY-QGZVFWFLSA-N 2 2 363.506 0.595 10 0 FCAELP Cn1ccnc1C[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000622631721 492481486 /nfs/dbraw/zinc/48/14/86/492481486.db2.gz TZKITAUFYMCFAY-QGZVFWFLSA-N 2 2 363.506 0.595 10 0 FCAELP CCC(CC)[C@@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)[NH+]1CCOCC1 ZINC000649074360 492490962 /nfs/dbraw/zinc/49/09/62/492490962.db2.gz GWZNUZUSZWQSNR-WBVHZDCISA-N 2 2 368.522 0.702 10 0 FCAELP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000649075473 492491278 /nfs/dbraw/zinc/49/12/78/492491278.db2.gz DEMWZXCGGCCVMR-INIZCTEOSA-N 2 2 374.485 0.711 10 0 FCAELP C[NH+]1CCN(c2ncc(C[NH2+][C@](C)(CO)c3cccc(O)c3)cn2)CC1 ZINC000628373693 492495684 /nfs/dbraw/zinc/49/56/84/492495684.db2.gz FWXUTUWPWFSOMQ-LJQANCHMSA-N 2 2 357.458 0.931 10 0 FCAELP CCCN(C(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000656043110 492524142 /nfs/dbraw/zinc/52/41/42/492524142.db2.gz ZXAPYFGTEVZWGJ-HRCADAONSA-N 2 2 368.522 0.591 10 0 FCAELP CCCN(C(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000656043110 492524145 /nfs/dbraw/zinc/52/41/45/492524145.db2.gz ZXAPYFGTEVZWGJ-HRCADAONSA-N 2 2 368.522 0.591 10 0 FCAELP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656062129 492525838 /nfs/dbraw/zinc/52/58/38/492525838.db2.gz INYYAKRDSJDCKA-YESZJQIVSA-N 2 2 370.538 0.647 10 0 FCAELP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656062129 492525841 /nfs/dbraw/zinc/52/58/41/492525841.db2.gz INYYAKRDSJDCKA-YESZJQIVSA-N 2 2 370.538 0.647 10 0 FCAELP C[C@H](CNC(=O)C(=O)N(C)CC[NH+]1CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656066684 492529789 /nfs/dbraw/zinc/52/97/89/492529789.db2.gz ASSSTBLLWFOLDA-OAGGEKHMSA-N 2 2 354.495 0.155 10 0 FCAELP C[C@H](CNC(=O)C(=O)N(C)CC[NH+]1CCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656066684 492529795 /nfs/dbraw/zinc/52/97/95/492529795.db2.gz ASSSTBLLWFOLDA-OAGGEKHMSA-N 2 2 354.495 0.155 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656069750 492531959 /nfs/dbraw/zinc/53/19/59/492531959.db2.gz 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TUAXKPPOXGYVIM-XDQVBPFNSA-N 2 2 356.430 0.134 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656075793 492536365 /nfs/dbraw/zinc/53/63/65/492536365.db2.gz WCJWQKUFZFZCSA-SIRPWMCASA-N 2 2 366.506 0.295 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656075793 492536369 /nfs/dbraw/zinc/53/63/69/492536369.db2.gz WCJWQKUFZFZCSA-SIRPWMCASA-N 2 2 366.506 0.295 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656075793 492536372 /nfs/dbraw/zinc/53/63/72/492536372.db2.gz WCJWQKUFZFZCSA-SIRPWMCASA-N 2 2 366.506 0.295 10 0 FCAELP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081010 492542268 /nfs/dbraw/zinc/54/22/68/492542268.db2.gz OAEMXMXPNLLEMR-OAGGEKHMSA-N 2 2 356.511 0.399 10 0 FCAELP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081010 492542272 /nfs/dbraw/zinc/54/22/72/492542272.db2.gz OAEMXMXPNLLEMR-OAGGEKHMSA-N 2 2 356.511 0.399 10 0 FCAELP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656084653 492545878 /nfs/dbraw/zinc/54/58/78/492545878.db2.gz ZTZJZBQKVHYHHR-OAGGEKHMSA-N 2 2 368.522 0.589 10 0 FCAELP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656084653 492545880 /nfs/dbraw/zinc/54/58/80/492545880.db2.gz ZTZJZBQKVHYHHR-OAGGEKHMSA-N 2 2 368.522 0.589 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656086094 492546756 /nfs/dbraw/zinc/54/67/56/492546756.db2.gz QKODSKILMXRUEO-JONQDZQNSA-N 2 2 354.495 0.153 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[NH+]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656086094 492546759 /nfs/dbraw/zinc/54/67/59/492546759.db2.gz QKODSKILMXRUEO-JONQDZQNSA-N 2 2 354.495 0.153 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[NH+]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656086094 492546762 /nfs/dbraw/zinc/54/67/62/492546762.db2.gz QKODSKILMXRUEO-JONQDZQNSA-N 2 2 354.495 0.153 10 0 FCAELP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CC1 ZINC000656104079 492552513 /nfs/dbraw/zinc/55/25/13/492552513.db2.gz GOJHNTQJTZIRLI-KRWDZBQOSA-N 2 2 373.501 0.887 10 0 FCAELP C[NH+](C)CCOc1ccccc1CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623524346 492563213 /nfs/dbraw/zinc/56/32/13/492563213.db2.gz OYIJXZPGDAEMML-INIZCTEOSA-N 2 2 350.463 0.757 10 0 FCAELP C[NH+](C)CCOc1ccccc1CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623524346 492563216 /nfs/dbraw/zinc/56/32/16/492563216.db2.gz OYIJXZPGDAEMML-INIZCTEOSA-N 2 2 350.463 0.757 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656283999 492569039 /nfs/dbraw/zinc/56/90/39/492569039.db2.gz KIIMSDWAZVAFCS-HRCADAONSA-N 2 2 368.522 0.591 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656283999 492569040 /nfs/dbraw/zinc/56/90/40/492569040.db2.gz 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PGOAONJDZVITJA-LUKYLMHMSA-N 2 2 368.522 0.448 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCC1 ZINC000656300466 492577229 /nfs/dbraw/zinc/57/72/29/492577229.db2.gz PGOAONJDZVITJA-LUKYLMHMSA-N 2 2 368.522 0.448 10 0 FCAELP CCC1([NH+]2CCOCC2)CCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000623725945 492588613 /nfs/dbraw/zinc/58/86/13/492588613.db2.gz RDARDTYRVQOZLX-QGZVFWFLSA-N 2 2 368.522 0.994 10 0 FCAELP CCC1([NH+]2CCOCC2)CCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000623725945 492588616 /nfs/dbraw/zinc/58/86/16/492588616.db2.gz RDARDTYRVQOZLX-QGZVFWFLSA-N 2 2 368.522 0.994 10 0 FCAELP CC(=O)NCC(C)(C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000649865080 492588796 /nfs/dbraw/zinc/58/87/96/492588796.db2.gz QDBGYIONURIWDP-SJPCQFCGSA-N 2 2 350.507 0.918 10 0 FCAELP CC(=O)NCC(C)(C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000649865080 492588801 /nfs/dbraw/zinc/58/88/01/492588801.db2.gz QDBGYIONURIWDP-SJPCQFCGSA-N 2 2 350.507 0.918 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656329796 492595309 /nfs/dbraw/zinc/59/53/09/492595309.db2.gz LLXWKAKMMKINTJ-SOUVJXGZSA-N 2 2 354.495 0.201 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656329796 492595314 /nfs/dbraw/zinc/59/53/14/492595314.db2.gz LLXWKAKMMKINTJ-SOUVJXGZSA-N 2 2 354.495 0.201 10 0 FCAELP CC[N@@H+]1CC[C@@H](Nc2nc(N)[nH+]c(N)n2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000624094730 492620698 /nfs/dbraw/zinc/62/06/98/492620698.db2.gz LVBANDGXOJGUJV-ZYHUDNBSSA-N 2 2 353.352 0.783 10 0 FCAELP CC[N@H+]1CC[C@@H](Nc2nc(N)[nH+]c(N)n2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000624094730 492620701 /nfs/dbraw/zinc/62/07/01/492620701.db2.gz LVBANDGXOJGUJV-ZYHUDNBSSA-N 2 2 353.352 0.783 10 0 FCAELP OCCO[C@]1(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)CCOC1 ZINC000656472092 492623819 /nfs/dbraw/zinc/62/38/19/492623819.db2.gz BNWRGIBWBYPNOG-KRWDZBQOSA-N 2 2 356.386 0.790 10 0 FCAELP C[NH+](C)CCN1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000650670522 492660079 /nfs/dbraw/zinc/66/00/79/492660079.db2.gz QJYZEGYPGRZHEW-UHFFFAOYSA-N 2 2 374.489 0.466 10 0 FCAELP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC[C@H]1C(F)(F)F ZINC000629788502 492672826 /nfs/dbraw/zinc/67/28/26/492672826.db2.gz QSSJWRUPXMVJQR-WCQYABFASA-N 2 2 362.396 0.279 10 0 FCAELP Nc1nc(-n2cccn2)cc(NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)[nH+]1 ZINC000624708734 492672977 /nfs/dbraw/zinc/67/29/77/492672977.db2.gz XVDQGJZSBPYGTI-HNNXBMFYSA-N 2 2 366.429 0.952 10 0 FCAELP Nc1nc(-n2cccn2)cc(NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)[nH+]1 ZINC000624708734 492672979 /nfs/dbraw/zinc/67/29/79/492672979.db2.gz XVDQGJZSBPYGTI-HNNXBMFYSA-N 2 2 366.429 0.952 10 0 FCAELP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000624737753 492678192 /nfs/dbraw/zinc/67/81/92/492678192.db2.gz PNCLXGXFWYHZKE-HNNXBMFYSA-N 2 2 352.504 0.948 10 0 FCAELP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000624737753 492678195 /nfs/dbraw/zinc/67/81/95/492678195.db2.gz PNCLXGXFWYHZKE-HNNXBMFYSA-N 2 2 352.504 0.948 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000629802584 492679643 /nfs/dbraw/zinc/67/96/43/492679643.db2.gz VFOXINCJYYNSTC-BGYRXZFFSA-N 2 2 371.485 0.497 10 0 FCAELP COc1ncc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1Cl ZINC000657090372 492714744 /nfs/dbraw/zinc/71/47/44/492714744.db2.gz CRHMBJSUEASCJK-UHFFFAOYSA-N 2 2 364.899 0.905 10 0 FCAELP COc1ncc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1Cl ZINC000657090372 492714746 /nfs/dbraw/zinc/71/47/46/492714746.db2.gz CRHMBJSUEASCJK-UHFFFAOYSA-N 2 2 364.899 0.905 10 0 FCAELP Cc1nn(C)c2ncc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)cc12 ZINC000657092837 492715768 /nfs/dbraw/zinc/71/57/68/492715768.db2.gz PJOGBGRZCBWXRO-UHFFFAOYSA-N 2 2 368.507 0.439 10 0 FCAELP Cc1nn(C)c2ncc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc12 ZINC000657092837 492715769 /nfs/dbraw/zinc/71/57/69/492715769.db2.gz PJOGBGRZCBWXRO-UHFFFAOYSA-N 2 2 368.507 0.439 10 0 FCAELP C[NH+](C)C1CC[NH+](CCNC(=O)C(C)(C)NC(=O)COC(C)(C)C)CC1 ZINC000651443138 492758754 /nfs/dbraw/zinc/75/87/54/492758754.db2.gz OFACVLCSTBACPM-UHFFFAOYSA-N 2 2 370.538 0.839 10 0 FCAELP C[NH+](C)CC(=O)N1CCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000630720044 492768610 /nfs/dbraw/zinc/76/86/10/492768610.db2.gz IGZYZMQJUSIKQG-UHFFFAOYSA-N 2 2 355.442 0.647 10 0 FCAELP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C2([NH+]3CCOCC3)CC2)CC1 ZINC000630871046 492780907 /nfs/dbraw/zinc/78/09/07/492780907.db2.gz GFJZOLIGVRCTMU-QZTJIDSGSA-N 2 2 364.534 0.868 10 0 FCAELP Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000644569137 492785988 /nfs/dbraw/zinc/78/59/88/492785988.db2.gz MAMLVUFLTRJWKE-MOPGFXCFSA-N 2 2 363.502 0.731 10 0 FCAELP CC[C@H](C)[C@@H](NC(=O)Cn1c[nH+]cc1C)C(=O)NCC[NH+]1CCOCC1 ZINC000625483775 492796874 /nfs/dbraw/zinc/79/68/74/492796874.db2.gz VQCMPMNDVIHWDH-WMLDXEAASA-N 2 2 365.478 0.171 10 0 FCAELP COc1ccc(C[NH+]2CCN(C(=O)CN3CC[C@H]4C[N@H+](C)C[C@H]43)CC2)cc1 ZINC000644736102 492803183 /nfs/dbraw/zinc/80/31/83/492803183.db2.gz WWNQHNBEVHMECP-AZUAARDMSA-N 2 2 372.513 0.975 10 0 FCAELP COc1ccc(C[NH+]2CCN(C(=O)CN3CC[C@H]4C[N@@H+](C)C[C@H]43)CC2)cc1 ZINC000644736102 492803187 /nfs/dbraw/zinc/80/31/87/492803187.db2.gz WWNQHNBEVHMECP-AZUAARDMSA-N 2 2 372.513 0.975 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC000657871033 492806654 /nfs/dbraw/zinc/80/66/54/492806654.db2.gz YPVGHHZEFBNZEA-UHFFFAOYSA-N 2 2 354.414 0.278 10 0 FCAELP CCC1([NH+](C)C)CCN(c2nc(NCCO)[nH+]c(NC(C)C)n2)CC1 ZINC000631477911 492820281 /nfs/dbraw/zinc/82/02/81/492820281.db2.gz YVKHDTYZTSGPAW-UHFFFAOYSA-N 2 2 351.499 0.251 10 0 FCAELP CCC1([NH+](C)C)CCN(c2nc(NC(C)C)nc(NCCO)[nH+]2)CC1 ZINC000631477911 492820289 /nfs/dbraw/zinc/82/02/89/492820289.db2.gz YVKHDTYZTSGPAW-UHFFFAOYSA-N 2 2 351.499 0.251 10 0 FCAELP CCC1([NH+](C)C)CCN(c2nc(NCCO)nc(NC(C)C)[nH+]2)CC1 ZINC000631477911 492820294 /nfs/dbraw/zinc/82/02/94/492820294.db2.gz YVKHDTYZTSGPAW-UHFFFAOYSA-N 2 2 351.499 0.251 10 0 FCAELP C[N@@H+]1CCO[C@H](CS(=O)(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000631719104 492839772 /nfs/dbraw/zinc/83/97/72/492839772.db2.gz VCRBQCGUWVYRQD-KRWDZBQOSA-N 2 2 353.488 0.295 10 0 FCAELP C[N@H+]1CCO[C@H](CS(=O)(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000631719104 492839775 /nfs/dbraw/zinc/83/97/75/492839775.db2.gz VCRBQCGUWVYRQD-KRWDZBQOSA-N 2 2 353.488 0.295 10 0 FCAELP C[NH+]1CCO[C@H](CS(=O)(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000631719104 492839779 /nfs/dbraw/zinc/83/97/79/492839779.db2.gz VCRBQCGUWVYRQD-KRWDZBQOSA-N 2 2 353.488 0.295 10 0 FCAELP C[NH+]1CCO[C@H](CS(=O)(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000631719104 492839783 /nfs/dbraw/zinc/83/97/83/492839783.db2.gz VCRBQCGUWVYRQD-KRWDZBQOSA-N 2 2 353.488 0.295 10 0 FCAELP C[N@@H+]1CCO[C@H](CS(=O)(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000631727298 492842314 /nfs/dbraw/zinc/84/23/14/492842314.db2.gz LFGCRNOQBCXEIZ-SFHVURJKSA-N 2 2 367.515 0.685 10 0 FCAELP C[N@H+]1CCO[C@H](CS(=O)(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000631727298 492842318 /nfs/dbraw/zinc/84/23/18/492842318.db2.gz LFGCRNOQBCXEIZ-SFHVURJKSA-N 2 2 367.515 0.685 10 0 FCAELP C[NH+]1CCO[C@H](CS(=O)(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000631727298 492842322 /nfs/dbraw/zinc/84/23/22/492842322.db2.gz LFGCRNOQBCXEIZ-SFHVURJKSA-N 2 2 367.515 0.685 10 0 FCAELP C[NH+]1CCO[C@H](CS(=O)(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000631727298 492842326 /nfs/dbraw/zinc/84/23/26/492842326.db2.gz LFGCRNOQBCXEIZ-SFHVURJKSA-N 2 2 367.515 0.685 10 0 FCAELP C[C@@H]1C[C@@H](C)C[NH+](CCCCNS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)C1 ZINC000631757995 492847698 /nfs/dbraw/zinc/84/76/98/492847698.db2.gz ONVUSQNVQQGPID-BRWVUGGUSA-N 2 2 361.552 0.995 10 0 FCAELP C[C@@H]1C[C@@H](C)C[NH+](CCCCNS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)C1 ZINC000631757995 492847701 /nfs/dbraw/zinc/84/77/01/492847701.db2.gz ONVUSQNVQQGPID-BRWVUGGUSA-N 2 2 361.552 0.995 10 0 FCAELP C[NH+](C)CCOc1ccc(CNS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)cc1 ZINC000631765619 492849032 /nfs/dbraw/zinc/84/90/32/492849032.db2.gz MJVWZDNVHUTZDV-QGZVFWFLSA-N 2 2 371.503 0.377 10 0 FCAELP C[NH+](C)CCOc1ccc(CNS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000631765619 492849036 /nfs/dbraw/zinc/84/90/36/492849036.db2.gz MJVWZDNVHUTZDV-QGZVFWFLSA-N 2 2 371.503 0.377 10 0 FCAELP CCN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000631824246 492858735 /nfs/dbraw/zinc/85/87/35/492858735.db2.gz ZFFFGQOQFXANJR-GFCCVEGCSA-N 2 2 350.385 0.293 10 0 FCAELP CCN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000631824246 492858737 /nfs/dbraw/zinc/85/87/37/492858737.db2.gz ZFFFGQOQFXANJR-GFCCVEGCSA-N 2 2 350.385 0.293 10 0 FCAELP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000625685221 492859167 /nfs/dbraw/zinc/85/91/67/492859167.db2.gz WHWWOJQBCRIWOG-IAGOWNOFSA-N 2 2 364.490 0.053 10 0 FCAELP O=C(NC[C@H]1CC[N@H+]1C1CCCC1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000625685221 492859169 /nfs/dbraw/zinc/85/91/69/492859169.db2.gz WHWWOJQBCRIWOG-IAGOWNOFSA-N 2 2 364.490 0.053 10 0 FCAELP C[NH+](C)CCOc1ccccc1CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631836223 492860216 /nfs/dbraw/zinc/86/02/16/492860216.db2.gz QOJOYOTXOBEQSR-MRXNPFEDSA-N 2 2 371.503 0.377 10 0 FCAELP C[NH+](C)CCOc1ccccc1CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631836223 492860221 /nfs/dbraw/zinc/86/02/21/492860221.db2.gz QOJOYOTXOBEQSR-MRXNPFEDSA-N 2 2 371.503 0.377 10 0 FCAELP Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)nnc1C ZINC000658338935 492862181 /nfs/dbraw/zinc/86/21/81/492862181.db2.gz MXYCXGGMQHXFEN-ZDUSSCGKSA-N 2 2 350.467 0.420 10 0 FCAELP Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)nnc1C ZINC000658338935 492862184 /nfs/dbraw/zinc/86/21/84/492862184.db2.gz MXYCXGGMQHXFEN-ZDUSSCGKSA-N 2 2 350.467 0.420 10 0 FCAELP COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631885821 492868942 /nfs/dbraw/zinc/86/89/42/492868942.db2.gz FCYZUHLBKAFVOU-HZPDHXFCSA-N 2 2 374.485 0.978 10 0 FCAELP COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631885821 492868945 /nfs/dbraw/zinc/86/89/45/492868945.db2.gz FCYZUHLBKAFVOU-HZPDHXFCSA-N 2 2 374.485 0.978 10 0 FCAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000645184072 492876164 /nfs/dbraw/zinc/87/61/64/492876164.db2.gz OEKHUEAJCGOFDH-MOPGFXCFSA-N 2 2 359.474 0.900 10 0 FCAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000645184072 492876169 /nfs/dbraw/zinc/87/61/69/492876169.db2.gz OEKHUEAJCGOFDH-MOPGFXCFSA-N 2 2 359.474 0.900 10 0 FCAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000645184072 492876171 /nfs/dbraw/zinc/87/61/71/492876171.db2.gz OEKHUEAJCGOFDH-MOPGFXCFSA-N 2 2 359.474 0.900 10 0 FCAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000645184072 492876176 /nfs/dbraw/zinc/87/61/76/492876176.db2.gz OEKHUEAJCGOFDH-MOPGFXCFSA-N 2 2 359.474 0.900 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)OCO2 ZINC000658425456 492884816 /nfs/dbraw/zinc/88/48/16/492884816.db2.gz DMQZSAGOOMPFFR-UHFFFAOYSA-N 2 2 350.419 0.354 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)OCO2 ZINC000658425456 492884822 /nfs/dbraw/zinc/88/48/22/492884822.db2.gz DMQZSAGOOMPFFR-UHFFFAOYSA-N 2 2 350.419 0.354 10 0 FCAELP CC(C)c1ncc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)cn1 ZINC000658427403 492885840 /nfs/dbraw/zinc/88/58/40/492885840.db2.gz CYRFTMUVEGEKSW-UHFFFAOYSA-N 2 2 350.467 0.538 10 0 FCAELP CC(C)c1ncc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000658427403 492885842 /nfs/dbraw/zinc/88/58/42/492885842.db2.gz CYRFTMUVEGEKSW-UHFFFAOYSA-N 2 2 350.467 0.538 10 0 FCAELP CN(C)c1ccc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)cn1 ZINC000658427621 492885903 /nfs/dbraw/zinc/88/59/03/492885903.db2.gz OPLHXHOJBMBPNX-UHFFFAOYSA-N 2 2 350.467 0.086 10 0 FCAELP CN(C)c1ccc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000658427621 492885908 /nfs/dbraw/zinc/88/59/08/492885908.db2.gz OPLHXHOJBMBPNX-UHFFFAOYSA-N 2 2 350.467 0.086 10 0 FCAELP Cc1c(Cl)cncc1NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000658429321 492886998 /nfs/dbraw/zinc/88/69/98/492886998.db2.gz VTUVYSKOIZNFBZ-UHFFFAOYSA-N 2 2 355.870 0.982 10 0 FCAELP Cc1c(Cl)cncc1NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000658429321 492887002 /nfs/dbraw/zinc/88/70/02/492887002.db2.gz VTUVYSKOIZNFBZ-UHFFFAOYSA-N 2 2 355.870 0.982 10 0 FCAELP C[C@@H](CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)[NH+](C)Cc1ccccc1 ZINC000631939925 492893352 /nfs/dbraw/zinc/89/33/52/492893352.db2.gz LKGKHTSAUDDCBF-DOTOQJQBSA-N 2 2 355.504 0.757 10 0 FCAELP C[C@@H](CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)[NH+](C)Cc1ccccc1 ZINC000631939925 492893356 /nfs/dbraw/zinc/89/33/56/492893356.db2.gz LKGKHTSAUDDCBF-DOTOQJQBSA-N 2 2 355.504 0.757 10 0 FCAELP C[C@@H](CNS(=O)(=O)C[C@H]1C[NH+](C)CCO1)[N@H+](C)Cc1ccccc1 ZINC000631939925 492893358 /nfs/dbraw/zinc/89/33/58/492893358.db2.gz LKGKHTSAUDDCBF-DOTOQJQBSA-N 2 2 355.504 0.757 10 0 FCAELP C[C@@H](CNS(=O)(=O)C[C@H]1C[NH+](C)CCO1)[N@@H+](C)Cc1ccccc1 ZINC000631939925 492893361 /nfs/dbraw/zinc/89/33/61/492893361.db2.gz LKGKHTSAUDDCBF-DOTOQJQBSA-N 2 2 355.504 0.757 10 0 FCAELP CN1CCN(c2cc(N3CCOC4(CC[NH+](C)CC4)C3)[nH+]cn2)CC1=O ZINC000645385670 492900745 /nfs/dbraw/zinc/90/07/45/492900745.db2.gz NFNYKCFFTFFEHL-UHFFFAOYSA-N 2 2 360.462 0.056 10 0 FCAELP C[N@@H+]1CCO[C@@H](CS(=O)(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000631970991 492900995 /nfs/dbraw/zinc/90/09/95/492900995.db2.gz IRJKAWRWMSVBEQ-ZWKOTPCHSA-N 2 2 367.515 0.901 10 0 FCAELP C[N@H+]1CCO[C@@H](CS(=O)(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000631970991 492901000 /nfs/dbraw/zinc/90/10/00/492901000.db2.gz IRJKAWRWMSVBEQ-ZWKOTPCHSA-N 2 2 367.515 0.901 10 0 FCAELP C[NH+]1CCO[C@@H](CS(=O)(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000631970991 492901005 /nfs/dbraw/zinc/90/10/05/492901005.db2.gz IRJKAWRWMSVBEQ-ZWKOTPCHSA-N 2 2 367.515 0.901 10 0 FCAELP C[NH+]1CCO[C@@H](CS(=O)(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000631970991 492901009 /nfs/dbraw/zinc/90/10/09/492901009.db2.gz IRJKAWRWMSVBEQ-ZWKOTPCHSA-N 2 2 367.515 0.901 10 0 FCAELP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000625942984 492903331 /nfs/dbraw/zinc/90/33/31/492903331.db2.gz UQOHSWBYIAFYPR-INIZCTEOSA-N 2 2 364.446 0.325 10 0 FCAELP O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000658465308 492905445 /nfs/dbraw/zinc/90/54/45/492905445.db2.gz ZNNWYNMDAVXPFN-SFHVURJKSA-N 2 2 356.470 0.684 10 0 FCAELP O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000658465308 492905450 /nfs/dbraw/zinc/90/54/50/492905450.db2.gz ZNNWYNMDAVXPFN-SFHVURJKSA-N 2 2 356.470 0.684 10 0 FCAELP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638118634 492909164 /nfs/dbraw/zinc/90/91/64/492909164.db2.gz BTGYUNQEQVKIKV-NUJGCVRESA-N 2 2 358.486 0.834 10 0 FCAELP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638118634 492909165 /nfs/dbraw/zinc/90/91/65/492909165.db2.gz BTGYUNQEQVKIKV-NUJGCVRESA-N 2 2 358.486 0.834 10 0 FCAELP O=S(=O)(NC1CC1)c1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000652340968 492912363 /nfs/dbraw/zinc/91/23/63/492912363.db2.gz QUTJOYNTPJGEFJ-KRWDZBQOSA-N 2 2 364.515 0.607 10 0 FCAELP CCO[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C[C@H]1C[NH3+] ZINC000652356832 492914912 /nfs/dbraw/zinc/91/49/12/492914912.db2.gz KNKXRBDGUGLODQ-WOJBJXKFSA-N 3 2 374.529 0.935 10 0 FCAELP CCO[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C[C@H]1C[NH3+] ZINC000652356832 492914914 /nfs/dbraw/zinc/91/49/14/492914914.db2.gz KNKXRBDGUGLODQ-WOJBJXKFSA-N 3 2 374.529 0.935 10 0 FCAELP CN(C(=O)C1CS(=O)(=O)C1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000632101393 492929340 /nfs/dbraw/zinc/92/93/40/492929340.db2.gz VRPAKVQLAHFKNC-DLBZAZTESA-N 2 2 371.547 0.827 10 0 FCAELP CN(C(=O)C1CS(=O)(=O)C1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000632101393 492929343 /nfs/dbraw/zinc/92/93/43/492929343.db2.gz VRPAKVQLAHFKNC-DLBZAZTESA-N 2 2 371.547 0.827 10 0 FCAELP CC(=O)NC[C@@H]1CCCC[NH+]1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000626154797 492938885 /nfs/dbraw/zinc/93/88/85/492938885.db2.gz XNZZUDCXQFGYEB-ROUUACIJSA-N 2 2 368.522 0.450 10 0 FCAELP CC(=O)NC[C@@H]1CCCC[NH+]1CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000626154797 492938889 /nfs/dbraw/zinc/93/88/89/492938889.db2.gz XNZZUDCXQFGYEB-ROUUACIJSA-N 2 2 368.522 0.450 10 0 FCAELP CC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000626154797 492938891 /nfs/dbraw/zinc/93/88/91/492938891.db2.gz XNZZUDCXQFGYEB-ROUUACIJSA-N 2 2 368.522 0.450 10 0 FCAELP CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000626154797 492938895 /nfs/dbraw/zinc/93/88/95/492938895.db2.gz XNZZUDCXQFGYEB-ROUUACIJSA-N 2 2 368.522 0.450 10 0 FCAELP C[C@H](NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)[C@@H](c1ccccc1)[NH+](C)C ZINC000632227599 492953515 /nfs/dbraw/zinc/95/35/15/492953515.db2.gz CMTXZGDTNQLMMD-XIRDDKMYSA-N 2 2 355.504 0.928 10 0 FCAELP C[C@H](NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)[C@@H](c1ccccc1)[NH+](C)C ZINC000632227599 492953518 /nfs/dbraw/zinc/95/35/18/492953518.db2.gz CMTXZGDTNQLMMD-XIRDDKMYSA-N 2 2 355.504 0.928 10 0 FCAELP C[NH+](C)CCc1ccc(CNS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000632262140 492959644 /nfs/dbraw/zinc/95/96/44/492959644.db2.gz KESWNPIIKIKMBA-KRWDZBQOSA-N 2 2 355.504 0.541 10 0 FCAELP C[NH+](C)CCc1ccc(CNS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000632262140 492959646 /nfs/dbraw/zinc/95/96/46/492959646.db2.gz KESWNPIIKIKMBA-KRWDZBQOSA-N 2 2 355.504 0.541 10 0 FCAELP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000652690656 492991173 /nfs/dbraw/zinc/99/11/73/492991173.db2.gz LEZACDCPIIDGGI-HUUCEWRRSA-N 2 2 362.474 0.248 10 0 FCAELP [NH3+]CC1(CCNC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000652713557 492998449 /nfs/dbraw/zinc/99/84/49/492998449.db2.gz RCIHBGCIMSQULN-UHFFFAOYSA-N 2 2 350.488 0.638 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658677501 493004779 /nfs/dbraw/zinc/00/47/79/493004779.db2.gz QKJOHGOURNJDRJ-LSDHHAIUSA-N 2 2 354.495 0.155 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000658677501 493004782 /nfs/dbraw/zinc/00/47/82/493004782.db2.gz QKJOHGOURNJDRJ-LSDHHAIUSA-N 2 2 354.495 0.155 10 0 FCAELP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C[C@H]1C[NH3+] ZINC000652730633 493008310 /nfs/dbraw/zinc/00/83/10/493008310.db2.gz JUCUSWYDJKTOIG-ZJIFWQFVSA-N 2 2 363.462 0.115 10 0 FCAELP CC(C)[C@@H](C(=O)N1CC(C[NH+]2CCOCC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000646355562 493042814 /nfs/dbraw/zinc/04/28/14/493042814.db2.gz POTHFZFNYOAWEJ-NUJGCVRESA-N 2 2 353.507 0.911 10 0 FCAELP C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C[NH2+]1 ZINC000626887463 493050723 /nfs/dbraw/zinc/05/07/23/493050723.db2.gz MNAMETIZYWMSDE-GDBMZVCRSA-N 2 2 360.458 0.714 10 0 FCAELP COCCOCC[NH+]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000652998836 493055469 /nfs/dbraw/zinc/05/54/69/493055469.db2.gz AHKNEVIHJLKCRN-UHFFFAOYSA-N 2 2 350.463 0.569 10 0 FCAELP CCN(C(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1)[C@H]1CC[N@H+](C)C1 ZINC000658801595 493060668 /nfs/dbraw/zinc/06/06/68/493060668.db2.gz JMIQAROIKFXLNS-HNNXBMFYSA-N 2 2 354.495 0.108 10 0 FCAELP CCN(C(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000658801595 493060669 /nfs/dbraw/zinc/06/06/69/493060669.db2.gz JMIQAROIKFXLNS-HNNXBMFYSA-N 2 2 354.495 0.108 10 0 FCAELP CCN(C(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)[C@H]1CC[NH+](C)C1 ZINC000658801595 493060671 /nfs/dbraw/zinc/06/06/71/493060671.db2.gz JMIQAROIKFXLNS-HNNXBMFYSA-N 2 2 354.495 0.108 10 0 FCAELP CCN(C(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)[C@H]1CC[NH+](C)C1 ZINC000658801595 493060674 /nfs/dbraw/zinc/06/06/74/493060674.db2.gz JMIQAROIKFXLNS-HNNXBMFYSA-N 2 2 354.495 0.108 10 0 FCAELP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000626913329 493061968 /nfs/dbraw/zinc/06/19/68/493061968.db2.gz XXMHSYWJWFJFDQ-INIZCTEOSA-N 2 2 371.441 0.890 10 0 FCAELP CCN(C(=O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000658803335 493062208 /nfs/dbraw/zinc/06/22/08/493062208.db2.gz SADFVFUUJYVOMJ-AEFFLSMTSA-N 2 2 373.501 0.839 10 0 FCAELP CCN(C(=O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000658803335 493062212 /nfs/dbraw/zinc/06/22/12/493062212.db2.gz SADFVFUUJYVOMJ-AEFFLSMTSA-N 2 2 373.501 0.839 10 0 FCAELP [NH3+]CCCOCCNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000626924168 493063661 /nfs/dbraw/zinc/06/36/61/493063661.db2.gz IXTXUMLHMYXULJ-UHFFFAOYSA-N 2 2 350.463 0.683 10 0 FCAELP C[C@@H]1CN(c2ccc(CNC(=O)NCCOCCC[NH3+])c[nH+]2)C[C@H](C)O1 ZINC000626931666 493066793 /nfs/dbraw/zinc/06/67/93/493066793.db2.gz KJCDWFUCIXFRAJ-GASCZTMLSA-N 2 2 365.478 0.860 10 0 FCAELP O=C(N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653105141 493070639 /nfs/dbraw/zinc/07/06/39/493070639.db2.gz HKIUIKVOSOBUPP-JXFKEZNVSA-N 2 2 373.453 0.338 10 0 FCAELP CCN(C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000658830408 493077178 /nfs/dbraw/zinc/07/71/78/493077178.db2.gz SCXMHDFYLYHDOT-IRXDYDNUSA-N 2 2 366.506 0.252 10 0 FCAELP CCN(C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000658830408 493077181 /nfs/dbraw/zinc/07/71/81/493077181.db2.gz SCXMHDFYLYHDOT-IRXDYDNUSA-N 2 2 366.506 0.252 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC(CC)([NH+](C)C)CC2)CC1 ZINC000632724828 493077476 /nfs/dbraw/zinc/07/74/76/493077476.db2.gz TXRNZGIPJNUIFJ-UHFFFAOYSA-N 2 2 368.522 0.500 10 0 FCAELP Cc1cc2c(ncnc2N2CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC2)s1 ZINC000653155755 493079089 /nfs/dbraw/zinc/07/90/89/493079089.db2.gz FJBBPCXZHGKLND-CQSZACIVSA-N 2 2 362.503 0.927 10 0 FCAELP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000632732997 493079484 /nfs/dbraw/zinc/07/94/84/493079484.db2.gz NXSBMRJZJNEWGN-UHFFFAOYSA-N 2 2 368.507 0.972 10 0 FCAELP CCOC1CC(CNC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)([NH+]2CCOCC2)C1 ZINC000627020199 493081981 /nfs/dbraw/zinc/08/19/81/493081981.db2.gz BPMYRZGNZYNCOE-WMTDPASSSA-N 2 2 354.495 0.696 10 0 FCAELP C[C@H](NC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)[C@@H]1CCC[NH2+]C1 ZINC000627068685 493085200 /nfs/dbraw/zinc/08/52/00/493085200.db2.gz MBPSNCGJQBCPNH-CGTJXYLNSA-N 2 2 361.490 0.970 10 0 FCAELP C[C@H](NC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)[C@@H]1CCC[NH2+]C1 ZINC000627068685 493085203 /nfs/dbraw/zinc/08/52/03/493085203.db2.gz MBPSNCGJQBCPNH-CGTJXYLNSA-N 2 2 361.490 0.970 10 0 FCAELP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000627113575 493089602 /nfs/dbraw/zinc/08/96/02/493089602.db2.gz CTTFWLODAVXFSJ-GVDBMIGSSA-N 2 2 350.438 0.901 10 0 FCAELP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000627113575 493089604 /nfs/dbraw/zinc/08/96/04/493089604.db2.gz CTTFWLODAVXFSJ-GVDBMIGSSA-N 2 2 350.438 0.901 10 0 FCAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@H]2COCC[N@@H+]2C)cc1 ZINC000627115335 493090025 /nfs/dbraw/zinc/09/00/25/493090025.db2.gz UKKNFHNKPNZTQT-SZMVWBNQSA-N 2 2 362.474 0.771 10 0 FCAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@H]2COCC[N@H+]2C)cc1 ZINC000627115335 493090029 /nfs/dbraw/zinc/09/00/29/493090029.db2.gz UKKNFHNKPNZTQT-SZMVWBNQSA-N 2 2 362.474 0.771 10 0 FCAELP C[NH2+]CCOCCNC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000627177098 493101485 /nfs/dbraw/zinc/10/14/85/493101485.db2.gz FEGHTRPRDFGNKA-UHFFFAOYSA-N 2 2 364.494 0.976 10 0 FCAELP Cc1cc(C)c(NC(=O)C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c(C)[nH+]1 ZINC000646818687 493103053 /nfs/dbraw/zinc/10/30/53/493103053.db2.gz BFQDYSIHCUAFNV-AWEZNQCLSA-N 2 2 361.446 0.524 10 0 FCAELP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000627183600 493103170 /nfs/dbraw/zinc/10/31/70/493103170.db2.gz VKBKWTFVCNRULO-BBWFWOEESA-N 2 2 350.438 0.983 10 0 FCAELP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000627183600 493103172 /nfs/dbraw/zinc/10/31/72/493103172.db2.gz VKBKWTFVCNRULO-BBWFWOEESA-N 2 2 350.438 0.983 10 0 FCAELP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000653374282 493106382 /nfs/dbraw/zinc/10/63/82/493106382.db2.gz CRPWOFLLRRMERE-UHFFFAOYSA-N 2 2 363.506 0.972 10 0 FCAELP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000653374282 493106384 /nfs/dbraw/zinc/10/63/84/493106384.db2.gz CRPWOFLLRRMERE-UHFFFAOYSA-N 2 2 363.506 0.972 10 0 FCAELP O=C(NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000627224155 493109497 /nfs/dbraw/zinc/10/94/97/493109497.db2.gz JKGRXYBBQPBRQW-PKOBYXMFSA-N 2 2 359.474 0.677 10 0 FCAELP O=C(NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000627224155 493109503 /nfs/dbraw/zinc/10/95/03/493109503.db2.gz JKGRXYBBQPBRQW-PKOBYXMFSA-N 2 2 359.474 0.677 10 0 FCAELP C[NH2+]CCOCCN(C)C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000627223463 493109799 /nfs/dbraw/zinc/10/97/99/493109799.db2.gz CNMHUWCDTOBNFC-KRWDZBQOSA-N 2 2 365.478 0.160 10 0 FCAELP C[NH2+]CCOCCN(C)C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000627223463 493109803 /nfs/dbraw/zinc/10/98/03/493109803.db2.gz CNMHUWCDTOBNFC-KRWDZBQOSA-N 2 2 365.478 0.160 10 0 FCAELP [NH3+][C@H]1CCCCCN(C(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000633088358 493120180 /nfs/dbraw/zinc/12/01/80/493120180.db2.gz QVABRYPSRBURAP-IRXDYDNUSA-N 2 2 366.506 0.430 10 0 FCAELP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000633118019 493133361 /nfs/dbraw/zinc/13/33/61/493133361.db2.gz HMVQYDBXERUCSG-QLFBSQMISA-N 2 2 359.474 0.874 10 0 FCAELP O=C(Nc1cccc2c1CC[NH2+]C2)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659099002 493151778 /nfs/dbraw/zinc/15/17/78/493151778.db2.gz NLUGOGVYTMEAOB-HNNXBMFYSA-N 2 2 358.442 0.204 10 0 FCAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000627338890 493161187 /nfs/dbraw/zinc/16/11/87/493161187.db2.gz SQANFAABPGELCN-GOEBONIOSA-N 2 2 359.474 0.801 10 0 FCAELP C[NH+](C)CCn1cc(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)cn1 ZINC000633694968 493182841 /nfs/dbraw/zinc/18/28/41/493182841.db2.gz WCIMEWAMVJCJMF-SFHVURJKSA-N 2 2 372.473 0.471 10 0 FCAELP C[NH+](C)CCn1cc(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)cn1 ZINC000633694968 493182845 /nfs/dbraw/zinc/18/28/45/493182845.db2.gz WCIMEWAMVJCJMF-SFHVURJKSA-N 2 2 372.473 0.471 10 0 FCAELP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)NCc1[nH+]ccn1CC(F)(F)F)C2 ZINC000627378878 493188571 /nfs/dbraw/zinc/18/85/71/493188571.db2.gz XKCIGVITXREPDO-GASCZTMLSA-N 2 2 373.379 0.520 10 0 FCAELP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627425471 493213960 /nfs/dbraw/zinc/21/39/60/493213960.db2.gz QJEFZXWCWDEVGJ-LVQVYYBASA-N 2 2 354.495 0.057 10 0 FCAELP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627425471 493213965 /nfs/dbraw/zinc/21/39/65/493213965.db2.gz QJEFZXWCWDEVGJ-LVQVYYBASA-N 2 2 354.495 0.057 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3C[C@@H]4CCCC[C@H]4C3)C2)CC1 ZINC000672639925 493221424 /nfs/dbraw/zinc/22/14/24/493221424.db2.gz UCGRVTQIDBINOJ-ULQDDVLXSA-N 2 2 362.518 0.920 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3C[C@@H]4CCCC[C@H]4C3)C2)CC1 ZINC000672639925 493221427 /nfs/dbraw/zinc/22/14/27/493221427.db2.gz UCGRVTQIDBINOJ-ULQDDVLXSA-N 2 2 362.518 0.920 10 0 FCAELP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccccc1Cl ZINC000659675888 493245502 /nfs/dbraw/zinc/24/55/02/493245502.db2.gz ZUALXBRKVKBTFP-RBSFLKMASA-N 2 2 370.856 0.957 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000666981269 493245702 /nfs/dbraw/zinc/24/57/02/493245702.db2.gz QMPXHWASFWTQOU-HNNXBMFYSA-N 2 2 355.527 0.816 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000666981269 493245705 /nfs/dbraw/zinc/24/57/05/493245705.db2.gz QMPXHWASFWTQOU-HNNXBMFYSA-N 2 2 355.527 0.816 10 0 FCAELP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccccc1 ZINC000659682928 493250347 /nfs/dbraw/zinc/25/03/47/493250347.db2.gz KHKCMWPDJGNLTO-RBSFLKMASA-N 2 2 359.405 0.523 10 0 FCAELP C[C@H]1CN(c2ccc(CNC(=O)C(=O)N(C)CCC[NH3+])c[nH+]2)C[C@H](C)O1 ZINC000659691360 493255952 /nfs/dbraw/zinc/25/59/52/493255952.db2.gz HNOCQMRTVOMUOS-KBPBESRZSA-N 2 2 363.462 0.119 10 0 FCAELP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659693184 493257020 /nfs/dbraw/zinc/25/70/20/493257020.db2.gz YDTWBGIVCVZJLC-UHFFFAOYSA-N 2 2 357.458 0.556 10 0 FCAELP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000659693359 493257037 /nfs/dbraw/zinc/25/70/37/493257037.db2.gz ZUQFHOTWODKZIG-IHRRRGAJSA-N 2 2 363.462 0.036 10 0 FCAELP COc1cc(C(N)=O)ccc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000667215149 493267453 /nfs/dbraw/zinc/26/74/53/493267453.db2.gz XSLZQMNZDJABKF-UHFFFAOYSA-N 2 2 351.451 0.799 10 0 FCAELP COc1cc(C(N)=O)ccc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000667215149 493267457 /nfs/dbraw/zinc/26/74/57/493267457.db2.gz XSLZQMNZDJABKF-UHFFFAOYSA-N 2 2 351.451 0.799 10 0 FCAELP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000659744493 493282706 /nfs/dbraw/zinc/28/27/06/493282706.db2.gz LTVLEMQOGWYPJZ-LLVKDONJSA-N 2 2 363.384 0.893 10 0 FCAELP C[NH+](C)C1CC(NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000673444903 493329313 /nfs/dbraw/zinc/32/93/13/493329313.db2.gz GUILSEJQLZDPGO-UHFFFAOYSA-N 2 2 359.474 0.719 10 0 FCAELP C[C@H]1COCC[N@@H+]1CCNC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000660856629 493387298 /nfs/dbraw/zinc/38/72/98/493387298.db2.gz RJWAIROPYZYLQE-INIZCTEOSA-N 2 2 368.522 0.897 10 0 FCAELP C[C@H]1COCC[N@H+]1CCNC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000660856629 493387301 /nfs/dbraw/zinc/38/73/01/493387301.db2.gz RJWAIROPYZYLQE-INIZCTEOSA-N 2 2 368.522 0.897 10 0 FCAELP C[C@H](NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)c1[nH+]ccn1C ZINC000661312313 493426883 /nfs/dbraw/zinc/42/68/83/493426883.db2.gz ONKULQCAFDMKJU-HNNXBMFYSA-N 2 2 364.494 0.577 10 0 FCAELP CO[C@@]1(CO)CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000661393829 493433438 /nfs/dbraw/zinc/43/34/38/493433438.db2.gz PDFQBPWRGUDPJB-IBGZPJMESA-N 2 2 362.474 0.594 10 0 FCAELP CO[C@@]1(CO)CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000661393829 493433440 /nfs/dbraw/zinc/43/34/40/493433440.db2.gz PDFQBPWRGUDPJB-IBGZPJMESA-N 2 2 362.474 0.594 10 0 FCAELP CO[C@]1(CO)CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000661393830 493433854 /nfs/dbraw/zinc/43/38/54/493433854.db2.gz PDFQBPWRGUDPJB-LJQANCHMSA-N 2 2 362.474 0.594 10 0 FCAELP CO[C@]1(CO)CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000661393830 493433856 /nfs/dbraw/zinc/43/38/56/493433856.db2.gz PDFQBPWRGUDPJB-LJQANCHMSA-N 2 2 362.474 0.594 10 0 FCAELP CO[C@@]1(CO)CCC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000661394922 493433901 /nfs/dbraw/zinc/43/39/01/493433901.db2.gz IYQFRPHDRLTXCO-SFHVURJKSA-N 2 2 367.515 0.866 10 0 FCAELP CO[C@@]1(CO)CCC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000661394922 493433905 /nfs/dbraw/zinc/43/39/05/493433905.db2.gz IYQFRPHDRLTXCO-SFHVURJKSA-N 2 2 367.515 0.866 10 0 FCAELP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661717662 493461585 /nfs/dbraw/zinc/46/15/85/493461585.db2.gz GPZQKTZEBGXBQP-LKUPVBHCSA-N 2 2 373.497 0.980 10 0 FCAELP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661717662 493461588 /nfs/dbraw/zinc/46/15/88/493461588.db2.gz GPZQKTZEBGXBQP-LKUPVBHCSA-N 2 2 373.497 0.980 10 0 FCAELP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N(CCO)CC[NH+]1CCOCC1 ZINC000675370682 493478500 /nfs/dbraw/zinc/47/85/00/493478500.db2.gz MWOYCSXGIPCFDU-UHFFFAOYSA-N 2 2 360.418 0.426 10 0 FCAELP NS(=O)(=O)c1ccc(OCC[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000662156087 493493213 /nfs/dbraw/zinc/49/32/13/493493213.db2.gz IPLMTBOEZTZXHT-HNNXBMFYSA-N 2 2 369.487 0.244 10 0 FCAELP NS(=O)(=O)c1ccc(OCC[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000662156087 493493215 /nfs/dbraw/zinc/49/32/15/493493215.db2.gz IPLMTBOEZTZXHT-HNNXBMFYSA-N 2 2 369.487 0.244 10 0 FCAELP O=C(c1ccc2c(c1)OCO2)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662249548 493500139 /nfs/dbraw/zinc/50/01/39/493500139.db2.gz WPPFAMOHCMUHFX-OAHLLOKOSA-N 2 2 359.426 0.694 10 0 FCAELP COc1cc(C[NH+]2CCN(C[C@H]3C[NH2+]CCO3)CC2)cc(OC)c1OC ZINC000662264479 493501910 /nfs/dbraw/zinc/50/19/10/493501910.db2.gz QAKLBHXZXPYOKL-MRXNPFEDSA-N 2 2 365.474 0.818 10 0 FCAELP O=C1[C@H]([NH+]2CCN(C[C@H]3C[NH2+]CCO3)CC2)CCCN1Cc1ccccc1 ZINC000662281940 493502303 /nfs/dbraw/zinc/50/23/03/493502303.db2.gz MPYHEBLHNNCVOY-WOJBJXKFSA-N 2 2 372.513 0.784 10 0 FCAELP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000662323329 493505917 /nfs/dbraw/zinc/50/59/17/493505917.db2.gz YSOBENFYIITNGB-IRXDYDNUSA-N 2 2 354.495 0.156 10 0 FCAELP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000662323329 493505919 /nfs/dbraw/zinc/50/59/19/493505919.db2.gz YSOBENFYIITNGB-IRXDYDNUSA-N 2 2 354.495 0.156 10 0 FCAELP C[C@H]([NH3+])[C@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCO1 ZINC000669502153 493508095 /nfs/dbraw/zinc/50/80/95/493508095.db2.gz IIJFIRAWCTUWJK-DLBZAZTESA-N 3 2 367.538 0.694 10 0 FCAELP C[N@@H+]1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)[C@H](C[NH3+])C1 ZINC000669569649 493511679 /nfs/dbraw/zinc/51/16/79/493511679.db2.gz DPJGQIRBDQPQNO-HZPDHXFCSA-N 2 2 363.437 0.211 10 0 FCAELP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CC3CC2(C)C3)CC1 ZINC000662384436 493511942 /nfs/dbraw/zinc/51/19/42/493511942.db2.gz NVAFBAITGJYDGI-UHFFFAOYSA-N 2 2 355.446 0.496 10 0 FCAELP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CC3CC2(C)C3)CC1 ZINC000662384436 493511944 /nfs/dbraw/zinc/51/19/44/493511944.db2.gz NVAFBAITGJYDGI-UHFFFAOYSA-N 2 2 355.446 0.496 10 0 FCAELP Cn1c(C(F)(F)F)nc2cncc(C(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])c21 ZINC000662427710 493514835 /nfs/dbraw/zinc/51/48/35/493514835.db2.gz AZDLOKOKXSFYHF-VIFPVBQESA-N 2 2 356.352 0.702 10 0 FCAELP Cn1c(C(F)(F)F)nc2cncc(C(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])c21 ZINC000662427710 493514837 /nfs/dbraw/zinc/51/48/37/493514837.db2.gz AZDLOKOKXSFYHF-VIFPVBQESA-N 2 2 356.352 0.702 10 0 FCAELP O=C(NCCNc1cccc[nH+]1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676089467 493522628 /nfs/dbraw/zinc/52/26/28/493522628.db2.gz IWJJRVBCYPUPRY-UHFFFAOYSA-N 2 2 351.370 0.829 10 0 FCAELP C[C@H](NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676279988 493540335 /nfs/dbraw/zinc/54/03/35/493540335.db2.gz RXMJDJQUFQVSNH-SWLSCSKDSA-N 2 2 358.402 0.041 10 0 FCAELP C[C@H](NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676279988 493540336 /nfs/dbraw/zinc/54/03/36/493540336.db2.gz RXMJDJQUFQVSNH-SWLSCSKDSA-N 2 2 358.402 0.041 10 0 FCAELP C[C@@H](NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676279986 493540417 /nfs/dbraw/zinc/54/04/17/493540417.db2.gz RXMJDJQUFQVSNH-DOMZBBRYSA-N 2 2 358.402 0.041 10 0 FCAELP C[C@@H](NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676279986 493540419 /nfs/dbraw/zinc/54/04/19/493540419.db2.gz RXMJDJQUFQVSNH-DOMZBBRYSA-N 2 2 358.402 0.041 10 0 FCAELP [NH3+]C1(CC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1 ZINC000662790572 493542603 /nfs/dbraw/zinc/54/26/03/493542603.db2.gz PMUAJVGESZNKGV-AWEZNQCLSA-N 2 2 360.462 0.280 10 0 FCAELP [NH3+]C1(CC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000662790572 493542604 /nfs/dbraw/zinc/54/26/04/493542604.db2.gz PMUAJVGESZNKGV-AWEZNQCLSA-N 2 2 360.462 0.280 10 0 FCAELP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Nc1cc[nH+]cc1N(C)C ZINC000670078087 493544451 /nfs/dbraw/zinc/54/44/51/493544451.db2.gz XEBORCXZJKAACI-OAHLLOKOSA-N 2 2 362.478 0.634 10 0 FCAELP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)Nc1cc[nH+]cc1N(C)C ZINC000670078087 493544454 /nfs/dbraw/zinc/54/44/54/493544454.db2.gz XEBORCXZJKAACI-OAHLLOKOSA-N 2 2 362.478 0.634 10 0 FCAELP O=C(N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000662851148 493547065 /nfs/dbraw/zinc/54/70/65/493547065.db2.gz XQERYYQLGDLFPX-DMUMMCEESA-N 2 2 357.454 0.334 10 0 FCAELP O=C(N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000662851148 493547068 /nfs/dbraw/zinc/54/70/68/493547068.db2.gz XQERYYQLGDLFPX-DMUMMCEESA-N 2 2 357.454 0.334 10 0 FCAELP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662929473 493554685 /nfs/dbraw/zinc/55/46/85/493554685.db2.gz BFAUHRMHAAZOCE-NXEZZACHSA-N 2 2 365.331 0.302 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1CCC([C@@H]3CCC[NH2+]C3)CC1)CC2 ZINC000662940438 493557063 /nfs/dbraw/zinc/55/70/63/493557063.db2.gz HMUIUWAOWODNGV-MRXNPFEDSA-N 2 2 359.474 0.772 10 0 FCAELP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662941194 493557516 /nfs/dbraw/zinc/55/75/16/493557516.db2.gz SZTYEHQAHPNLCE-WRSVWVKZSA-N 2 2 362.499 0.903 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1CCC[C@H](C3CC[NH2+]CC3)C1)CC2 ZINC000662941451 493557808 /nfs/dbraw/zinc/55/78/08/493557808.db2.gz QCFKLVLCBABTOT-INIZCTEOSA-N 2 2 359.474 0.772 10 0 FCAELP C[NH+](C)CCC[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CCO1 ZINC000663441306 493589692 /nfs/dbraw/zinc/58/96/92/493589692.db2.gz XXVBTMJABXZEOY-MRXNPFEDSA-N 2 2 356.511 0.849 10 0 FCAELP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000670731447 493592661 /nfs/dbraw/zinc/59/26/61/493592661.db2.gz KGZBIIWQTJEDSS-JKSUJKDBSA-N 2 2 355.442 0.836 10 0 FCAELP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000670731447 493592663 /nfs/dbraw/zinc/59/26/63/493592663.db2.gz KGZBIIWQTJEDSS-JKSUJKDBSA-N 2 2 355.442 0.836 10 0 FCAELP C[NH+]1CCN(C(=O)CC2CC[NH+](CC[C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000677697683 493612793 /nfs/dbraw/zinc/61/27/93/493612793.db2.gz ZVPZXTFCUPWTSD-QGZVFWFLSA-N 2 2 371.547 0.687 10 0 FCAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CC(=O)N2CCOC[C@@H]2C2CC2)CC1 ZINC000677985155 493629399 /nfs/dbraw/zinc/62/93/99/493629399.db2.gz ZOXUFLBFGCFNFW-RBUKOAKNSA-N 2 2 364.534 0.726 10 0 FCAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CC(=O)N2CCOC[C@@H]2C2CC2)CC1 ZINC000677985155 493629401 /nfs/dbraw/zinc/62/94/01/493629401.db2.gz ZOXUFLBFGCFNFW-RBUKOAKNSA-N 2 2 364.534 0.726 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000664006908 493630155 /nfs/dbraw/zinc/63/01/55/493630155.db2.gz LVSVCWRGQMSAFJ-UHFFFAOYSA-N 3 2 369.554 0.814 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000664006908 493630156 /nfs/dbraw/zinc/63/01/56/493630156.db2.gz LVSVCWRGQMSAFJ-UHFFFAOYSA-N 3 2 369.554 0.814 10 0 FCAELP C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C(=O)N1CCCC[C@H]1C ZINC000664168523 493641367 /nfs/dbraw/zinc/64/13/67/493641367.db2.gz GBZLXFUSWJNJOL-CVEARBPZSA-N 2 2 355.527 0.959 10 0 FCAELP C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C(=O)N1CCCC[C@H]1C ZINC000664168523 493641370 /nfs/dbraw/zinc/64/13/70/493641370.db2.gz GBZLXFUSWJNJOL-CVEARBPZSA-N 2 2 355.527 0.959 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000664175233 493642124 /nfs/dbraw/zinc/64/21/24/493642124.db2.gz YOKOVFVJMYXXJZ-KRWDZBQOSA-N 3 2 369.554 0.670 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000664175233 493642127 /nfs/dbraw/zinc/64/21/27/493642127.db2.gz YOKOVFVJMYXXJZ-KRWDZBQOSA-N 3 2 369.554 0.670 10 0 FCAELP CN(Cc1cn(C)nn1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000664233350 493646462 /nfs/dbraw/zinc/64/64/62/493646462.db2.gz MAXQJRWRKMTDSQ-UHFFFAOYSA-N 2 2 363.510 0.907 10 0 FCAELP CCN1CC[NH+](CCCCNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000671200061 493648590 /nfs/dbraw/zinc/64/85/90/493648590.db2.gz DLDMZWCHIGAOSZ-ROUUACIJSA-N 2 2 367.538 0.519 10 0 FCAELP CCN1CC[NH+](CCCCNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000671200061 493648592 /nfs/dbraw/zinc/64/85/92/493648592.db2.gz DLDMZWCHIGAOSZ-ROUUACIJSA-N 2 2 367.538 0.519 10 0 FCAELP CCN1CC[NH+](CCCCNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)CC1 ZINC000671200060 493648879 /nfs/dbraw/zinc/64/88/79/493648879.db2.gz DLDMZWCHIGAOSZ-QZTJIDSGSA-N 2 2 367.538 0.519 10 0 FCAELP CCN1CC[NH+](CCCCNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000671200060 493648881 /nfs/dbraw/zinc/64/88/81/493648881.db2.gz DLDMZWCHIGAOSZ-QZTJIDSGSA-N 2 2 367.538 0.519 10 0 FCAELP CN(C(=O)C(=O)NCC[NH+]1Cc2ccccc2C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000671394339 493664006 /nfs/dbraw/zinc/66/40/06/493664006.db2.gz IYPGYRPVTIQUIH-GOSISDBHSA-N 2 2 356.470 0.814 10 0 FCAELP CN(C(=O)C(=O)NCC[NH+]1Cc2ccccc2C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000671394339 493664008 /nfs/dbraw/zinc/66/40/08/493664008.db2.gz IYPGYRPVTIQUIH-GOSISDBHSA-N 2 2 356.470 0.814 10 0 FCAELP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671394380 493664728 /nfs/dbraw/zinc/66/47/28/493664728.db2.gz HLIUADQGUGMYNP-GOSISDBHSA-N 2 2 374.485 0.345 10 0 FCAELP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671394380 493664730 /nfs/dbraw/zinc/66/47/30/493664730.db2.gz HLIUADQGUGMYNP-GOSISDBHSA-N 2 2 374.485 0.345 10 0 FCAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCc3c(cccc3C(N)=O)C2)CC1 ZINC000664539235 493666330 /nfs/dbraw/zinc/66/63/30/493666330.db2.gz LQRIRTKOORYTRU-UHFFFAOYSA-N 2 2 373.501 0.879 10 0 FCAELP CC(C)(CO)[NH+]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000679316202 493675369 /nfs/dbraw/zinc/67/53/69/493675369.db2.gz FWNHVIOAQSSPQA-UHFFFAOYSA-N 2 2 374.529 0.719 10 0 FCAELP CC(C)Nc1nc(N2CCO[C@@H](CCC[NH+](C)C)C2)nc(NCCO)[nH+]1 ZINC000664658650 493675547 /nfs/dbraw/zinc/67/55/47/493675547.db2.gz SJEPKSHNYGDTFV-AWEZNQCLSA-N 2 2 367.498 0.643 10 0 FCAELP CC(C)Nc1nc(NCCO)[nH+]c(N2CCO[C@@H](CCC[NH+](C)C)C2)n1 ZINC000664658650 493675552 /nfs/dbraw/zinc/67/55/52/493675552.db2.gz SJEPKSHNYGDTFV-AWEZNQCLSA-N 2 2 367.498 0.643 10 0 FCAELP CC(C)Nc1nc(NCCO)nc(N2CCO[C@@H](CCC[NH+](C)C)C2)[nH+]1 ZINC000664658650 493675555 /nfs/dbraw/zinc/67/55/55/493675555.db2.gz SJEPKSHNYGDTFV-AWEZNQCLSA-N 2 2 367.498 0.643 10 0 FCAELP C[NH+](C)CCC[C@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CC2)CCO1 ZINC000664758377 493681832 /nfs/dbraw/zinc/68/18/32/493681832.db2.gz DEKWEAFSNOHRIV-INIZCTEOSA-N 2 2 354.495 0.603 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000664814461 493684708 /nfs/dbraw/zinc/68/47/08/493684708.db2.gz DTENTDQDCHPERV-KRWDZBQOSA-N 3 2 370.586 0.584 10 0 FCAELP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000664814461 493684709 /nfs/dbraw/zinc/68/47/09/493684709.db2.gz DTENTDQDCHPERV-KRWDZBQOSA-N 3 2 370.586 0.584 10 0 FCAELP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000664814461 493684710 /nfs/dbraw/zinc/68/47/10/493684710.db2.gz DTENTDQDCHPERV-KRWDZBQOSA-N 3 2 370.586 0.584 10 0 FCAELP O=C(NCC[N@@H+]1CCCOCC1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000664959038 493692184 /nfs/dbraw/zinc/69/21/84/493692184.db2.gz VBQAMRPXDLTNJG-IAGOWNOFSA-N 2 2 366.506 0.651 10 0 FCAELP O=C(NCC[N@H+]1CCCOCC1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000664959038 493692186 /nfs/dbraw/zinc/69/21/86/493692186.db2.gz VBQAMRPXDLTNJG-IAGOWNOFSA-N 2 2 366.506 0.651 10 0 FCAELP Cn1nccc1[C@@H]1C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)CCO1 ZINC000665047641 493696967 /nfs/dbraw/zinc/69/69/67/493696967.db2.gz FJUIWSACQFSRRN-WBVHZDCISA-N 2 2 366.510 0.823 10 0 FCAELP Cn1nccc1[C@@H]1C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000665047641 493696969 /nfs/dbraw/zinc/69/69/69/493696969.db2.gz FJUIWSACQFSRRN-WBVHZDCISA-N 2 2 366.510 0.823 10 0 FCAELP CC1[C@H](C(=O)NCCCn2cc[nH+]c2)[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000665106948 493700028 /nfs/dbraw/zinc/70/00/28/493700028.db2.gz VJVGFKHLKDUMGF-HOTGVXAUSA-N 2 2 358.446 0.675 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3cscn3)C2)CC1 ZINC000671958786 493717906 /nfs/dbraw/zinc/71/79/06/493717906.db2.gz XUGYTSMLNZMTQE-GFCCVEGCSA-N 2 2 351.476 0.044 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3cscn3)C2)CC1 ZINC000671958786 493717908 /nfs/dbraw/zinc/71/79/08/493717908.db2.gz XUGYTSMLNZMTQE-GFCCVEGCSA-N 2 2 351.476 0.044 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000665763459 493734910 /nfs/dbraw/zinc/73/49/10/493734910.db2.gz BFLRIVOTVNOOFZ-INIZCTEOSA-N 3 2 357.543 0.668 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000665763459 493734912 /nfs/dbraw/zinc/73/49/12/493734912.db2.gz BFLRIVOTVNOOFZ-INIZCTEOSA-N 3 2 357.543 0.668 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC(C)(C)CN1CCOCC1 ZINC000665763459 493734914 /nfs/dbraw/zinc/73/49/14/493734914.db2.gz BFLRIVOTVNOOFZ-INIZCTEOSA-N 2 2 357.543 0.668 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC(C)(C)CN1CCOCC1 ZINC000665763459 493734916 /nfs/dbraw/zinc/73/49/16/493734916.db2.gz BFLRIVOTVNOOFZ-INIZCTEOSA-N 2 2 357.543 0.668 10 0 FCAELP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000672132554 493737151 /nfs/dbraw/zinc/73/71/51/493737151.db2.gz JTCHYCXKSOYDJO-GOEBONIOSA-N 2 2 359.474 0.921 10 0 FCAELP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000672132554 493737153 /nfs/dbraw/zinc/73/71/53/493737153.db2.gz JTCHYCXKSOYDJO-GOEBONIOSA-N 2 2 359.474 0.921 10 0 FCAELP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000672164643 493739526 /nfs/dbraw/zinc/73/95/26/493739526.db2.gz XMXYBECRXODGCZ-SJLPKXTDSA-N 2 2 374.485 0.516 10 0 FCAELP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000672164643 493739528 /nfs/dbraw/zinc/73/95/28/493739528.db2.gz XMXYBECRXODGCZ-SJLPKXTDSA-N 2 2 374.485 0.516 10 0 FCAELP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000672164643 493739529 /nfs/dbraw/zinc/73/95/29/493739529.db2.gz XMXYBECRXODGCZ-SJLPKXTDSA-N 2 2 374.485 0.516 10 0 FCAELP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000672164643 493739531 /nfs/dbraw/zinc/73/95/31/493739531.db2.gz XMXYBECRXODGCZ-SJLPKXTDSA-N 2 2 374.485 0.516 10 0 FCAELP CN(C(=O)NC1CCC(C(N)=O)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681217957 493751974 /nfs/dbraw/zinc/75/19/74/493751974.db2.gz SRFQAHCKYMWIGD-DQPZFDDXSA-N 2 2 365.522 0.840 10 0 FCAELP CN(C(=O)NC1CCC(C(N)=O)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681217957 493751975 /nfs/dbraw/zinc/75/19/75/493751975.db2.gz SRFQAHCKYMWIGD-DQPZFDDXSA-N 2 2 365.522 0.840 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)CC2)cc[nH+]1 ZINC000672310797 493755089 /nfs/dbraw/zinc/75/50/89/493755089.db2.gz IHUAJPLENHRWDO-INIZCTEOSA-N 2 2 372.473 0.034 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)CC2)cc[nH+]1 ZINC000672310797 493755092 /nfs/dbraw/zinc/75/50/92/493755092.db2.gz IHUAJPLENHRWDO-INIZCTEOSA-N 2 2 372.473 0.034 10 0 FCAELP C[C@H](O)[C@@H]1C[NH+](Cc2ccccc2C[N@@H+]2CCO[C@H]([C@H](C)O)C2)CCO1 ZINC000412080747 534104622 /nfs/dbraw/zinc/10/46/22/534104622.db2.gz KWKXBDHLNMGZQH-FVCZOJIISA-N 2 2 364.486 0.850 10 0 FCAELP C[C@H](O)[C@@H]1C[NH+](Cc2ccccc2C[N@H+]2CCO[C@H]([C@H](C)O)C2)CCO1 ZINC000412080747 534104628 /nfs/dbraw/zinc/10/46/28/534104628.db2.gz KWKXBDHLNMGZQH-FVCZOJIISA-N 2 2 364.486 0.850 10 0 FCAELP C[NH+]1CCN(S(=O)(=O)c2ccccc2C[NH2+][C@@H]2CCCOC2)CC1 ZINC000127805753 546563591 /nfs/dbraw/zinc/56/35/91/546563591.db2.gz OZUPDSKRKWQESA-MRXNPFEDSA-N 2 2 353.488 0.891 10 0 FCAELP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000087135038 546591451 /nfs/dbraw/zinc/59/14/51/546591451.db2.gz CMKVNMCZNZIKTN-HZPDHXFCSA-N 2 2 351.495 0.419 10 0 FCAELP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000087135038 546591453 /nfs/dbraw/zinc/59/14/53/546591453.db2.gz CMKVNMCZNZIKTN-HZPDHXFCSA-N 2 2 351.495 0.419 10 0 FCAELP COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cn1 ZINC000594802760 546827493 /nfs/dbraw/zinc/82/74/93/546827493.db2.gz BICUTICQSCWWEQ-ZDUSSCGKSA-N 2 2 372.491 0.419 10 0 FCAELP COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000594802760 546827494 /nfs/dbraw/zinc/82/74/94/546827494.db2.gz BICUTICQSCWWEQ-ZDUSSCGKSA-N 2 2 372.491 0.419 10 0 FCAELP COC(=O)c1ncccc1S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000594822277 546836499 /nfs/dbraw/zinc/83/64/99/546836499.db2.gz VHEOFRRYGYREGZ-UHFFFAOYSA-N 2 2 358.464 0.030 10 0 FCAELP COC(=O)c1ncccc1S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000594822277 546836503 /nfs/dbraw/zinc/83/65/03/546836503.db2.gz VHEOFRRYGYREGZ-UHFFFAOYSA-N 2 2 358.464 0.030 10 0 FCAELP CC1(C)C[NH+](CC(=O)NC[C@H](NC(=O)C[NH+]2CC(C)(C)C2)C2CC2)C1 ZINC000553085115 547250931 /nfs/dbraw/zinc/25/09/31/547250931.db2.gz ONAKIOUOSABTEN-HNNXBMFYSA-N 2 2 350.507 0.681 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3C[C@@H]4CSC[C@@H]4C3)C2)CC1 ZINC000897721494 665766042 /nfs/dbraw/zinc/76/60/42/665766042.db2.gz PTFLBCZYEWAVAL-QLFBSQMISA-N 2 2 366.531 0.093 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3C[C@@H]4CSC[C@@H]4C3)C2)CC1 ZINC000897721494 665766044 /nfs/dbraw/zinc/76/60/44/665766044.db2.gz PTFLBCZYEWAVAL-QLFBSQMISA-N 2 2 366.531 0.093 10 0 FCAELP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935942760 664108500 /nfs/dbraw/zinc/10/85/00/664108500.db2.gz WQXLQKUUVQQYNU-MLHJIOFPSA-N 2 2 351.491 0.951 10 0 FCAELP COC(=O)[C@@H]1[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C1(F)F ZINC000894752106 664979581 /nfs/dbraw/zinc/97/95/81/664979581.db2.gz HRHRWIBPRADJMC-GWWMPIIRSA-N 2 2 359.417 0.714 10 0 FCAELP COC(=O)[C@@H]1[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1(F)F ZINC000894752106 664979582 /nfs/dbraw/zinc/97/95/82/664979582.db2.gz HRHRWIBPRADJMC-GWWMPIIRSA-N 2 2 359.417 0.714 10 0 FCAELP [NH3+]C1CC[NH+](CCNC(=O)c2nc3ccc(Br)cn3n2)CC1 ZINC000905294506 666014572 /nfs/dbraw/zinc/01/45/72/666014572.db2.gz VXCVXUXVMIHGJV-UHFFFAOYSA-N 2 2 367.251 0.645 10 0 FCAELP C/C(=C\C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)C[NH+]1CCOCC1 ZINC000907988519 666172931 /nfs/dbraw/zinc/17/29/31/666172931.db2.gz BUGWQTJDWOARMT-ODECOBMASA-N 2 2 351.491 0.978 10 0 FCAELP C/C(=C/C(=O)N1CCC([N@H+]2CCOC[C@H]2C)CC1)C[NH+]1CCOCC1 ZINC000908317477 666199436 /nfs/dbraw/zinc/19/94/36/666199436.db2.gz YYMJJHRAHRFPHZ-VZVUQDNOSA-N 2 2 351.491 0.977 10 0 FCAELP C/C(=C/C(=O)N1CCC([N@@H+]2CCOC[C@H]2C)CC1)C[NH+]1CCOCC1 ZINC000908317477 666199437 /nfs/dbraw/zinc/19/94/37/666199437.db2.gz YYMJJHRAHRFPHZ-VZVUQDNOSA-N 2 2 351.491 0.977 10 0 FCAELP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H]3CCCS3(=O)=O)CC2)CC1 ZINC000929972692 667069477 /nfs/dbraw/zinc/06/94/77/667069477.db2.gz SYAKBZBLEBKNTH-MRXNPFEDSA-N 2 2 357.520 0.440 10 0 FCAELP O=C1C[C@H]([NH2+][C@@H](C2CC2)[C@H]2CCCOC2)CN1CC[NH+]1CCOCC1 ZINC000925450912 667116819 /nfs/dbraw/zinc/11/68/19/667116819.db2.gz RUKMHLXWWWXFHD-LNLFQRSKSA-N 2 2 351.491 0.714 10 0 FCAELP C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1N=NC(=O)N1C ZINC000918914018 667140927 /nfs/dbraw/zinc/14/09/27/667140927.db2.gz PSSIWSPBGIYZLK-NEPJUHHUSA-N 2 2 351.455 0.049 10 0 FCAELP C[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1N=NC(=O)N1C ZINC000918914018 667140928 /nfs/dbraw/zinc/14/09/28/667140928.db2.gz PSSIWSPBGIYZLK-NEPJUHHUSA-N 2 2 351.455 0.049 10 0 FCAELP O=S(=O)(Cc1ccccc1)N1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923298699 667823226 /nfs/dbraw/zinc/82/32/26/667823226.db2.gz NZHXNMMPCGXAEZ-KRWDZBQOSA-N 2 2 365.499 0.513 10 0 FCAELP CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH+]2CCC3(CC[NH2+]3)CC2)CCC1 ZINC000923380901 667829667 /nfs/dbraw/zinc/82/96/67/667829667.db2.gz KAXNWHOTPPJHDY-CQSZACIVSA-N 2 2 359.536 0.816 10 0 FCAELP CCCCN(C(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000923504011 667842424 /nfs/dbraw/zinc/84/24/24/667842424.db2.gz NXGOGPKXJQAOID-ARFHVFGLSA-N 2 2 359.536 0.719 10 0 FCAELP CCCCN(C(=O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000923504011 667842429 /nfs/dbraw/zinc/84/24/29/667842429.db2.gz NXGOGPKXJQAOID-ARFHVFGLSA-N 2 2 359.536 0.719 10 0 FCAELP C[C@H](CNS(=O)(=O)[C@H]1CCC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000923589348 667853080 /nfs/dbraw/zinc/85/30/80/667853080.db2.gz FZBQIEJEFLATRU-AEFFLSMTSA-N 2 2 366.531 0.869 10 0 FCAELP CCOC(=O)CC(C)(C)C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000838988752 667968010 /nfs/dbraw/zinc/96/80/10/667968010.db2.gz LBQNMYQTFLEVQB-HNNXBMFYSA-N 2 2 355.479 0.489 10 0 FCAELP C[NH+]1CCC(CN2C(=O)[C@H]3COCCN3C2=O)([NH+]2CCCCC2)CC1 ZINC000777664690 668335054 /nfs/dbraw/zinc/33/50/54/668335054.db2.gz ZZJNFZRPSXNUBM-OAHLLOKOSA-N 2 2 350.463 0.600 10 0 FCAELP C[NH+]1CCC(CNC(=O)N2C[C@H]3C[C@@]3(CO)C2)([NH+]2CCCCC2)CC1 ZINC000782972106 668591128 /nfs/dbraw/zinc/59/11/28/668591128.db2.gz OXIVWDNPKCXGEG-AEFFLSMTSA-N 2 2 350.507 0.961 10 0 FCAELP C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC[N@@H+](C2CC2)C1 ZINC000820873642 669136792 /nfs/dbraw/zinc/13/67/92/669136792.db2.gz GOQRKSHHFVZDCE-NXHRZFHOSA-N 2 2 351.491 0.809 10 0 FCAELP C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC[N@H+](C2CC2)C1 ZINC000820873642 669136796 /nfs/dbraw/zinc/13/67/96/669136796.db2.gz GOQRKSHHFVZDCE-NXHRZFHOSA-N 2 2 351.491 0.809 10 0 FCAELP CN(C[C@@H](O)C[NH+]1CCN(c2[nH+]ccn2C)CC1)C(=O)OC(C)(C)C ZINC000822771004 669292762 /nfs/dbraw/zinc/29/27/62/669292762.db2.gz OWNURIGNAWPNLY-CQSZACIVSA-N 2 2 353.467 0.770 10 0 FCAELP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)C[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000847559379 671206867 /nfs/dbraw/zinc/20/68/67/671206867.db2.gz HKYWTQLJZBIGKG-HUUCEWRRSA-N 2 2 354.495 0.996 10 0 FCAELP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)C[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000847559379 671206871 /nfs/dbraw/zinc/20/68/71/671206871.db2.gz HKYWTQLJZBIGKG-HUUCEWRRSA-N 2 2 354.495 0.996 10 0 FCAELP C[C@@H]1CC[NH+](CC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000847559379 671206873 /nfs/dbraw/zinc/20/68/73/671206873.db2.gz HKYWTQLJZBIGKG-HUUCEWRRSA-N 2 2 354.495 0.996 10 0 FCAELP C[C@@H]1CC[NH+](CC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000847559379 671206876 /nfs/dbraw/zinc/20/68/76/671206876.db2.gz HKYWTQLJZBIGKG-HUUCEWRRSA-N 2 2 354.495 0.996 10 0 FCAELP CC[N@H+](CCNC(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000848938681 671302635 /nfs/dbraw/zinc/30/26/35/671302635.db2.gz LXSHUXKDDSYFLT-HRCADAONSA-N 2 2 356.511 0.447 10 0 FCAELP CC[N@@H+](CCNC(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000848938681 671302640 /nfs/dbraw/zinc/30/26/40/671302640.db2.gz LXSHUXKDDSYFLT-HRCADAONSA-N 2 2 356.511 0.447 10 0 FCAELP CC[NH+](CCNC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000848938681 671302644 /nfs/dbraw/zinc/30/26/44/671302644.db2.gz LXSHUXKDDSYFLT-HRCADAONSA-N 2 2 356.511 0.447 10 0 FCAELP CC[NH+](CCNC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000848938681 671302648 /nfs/dbraw/zinc/30/26/48/671302648.db2.gz LXSHUXKDDSYFLT-HRCADAONSA-N 2 2 356.511 0.447 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000855414355 671642033 /nfs/dbraw/zinc/64/20/33/671642033.db2.gz CDUCTAPSGOZOJV-LBPRGKRZSA-N 2 2 352.401 0.539 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000855414355 671642034 /nfs/dbraw/zinc/64/20/34/671642034.db2.gz CDUCTAPSGOZOJV-LBPRGKRZSA-N 2 2 352.401 0.539 10 0 FCAELP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C[C@H]1C(F)(F)F ZINC000903741295 675965987 /nfs/dbraw/zinc/96/59/87/675965987.db2.gz CUQMKUNQDDFUBT-GHMZBOCLSA-N 2 2 359.352 0.464 10 0 FCAELP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C[C@H]1C(F)(F)F ZINC000903741295 675965988 /nfs/dbraw/zinc/96/59/88/675965988.db2.gz CUQMKUNQDDFUBT-GHMZBOCLSA-N 2 2 359.352 0.464 10 0 FCAELP C[C@@H](C(=O)NCc1cccs1)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866708868 672290259 /nfs/dbraw/zinc/29/02/59/672290259.db2.gz PVYBKAQGEOHYDY-MXYBEHONSA-N 2 2 364.471 0.620 10 0 FCAELP C[C@@H](C(=O)NCc1cccs1)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866708868 672290261 /nfs/dbraw/zinc/29/02/61/672290261.db2.gz PVYBKAQGEOHYDY-MXYBEHONSA-N 2 2 364.471 0.620 10 0 FCAELP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000866709147 672290766 /nfs/dbraw/zinc/29/07/66/672290766.db2.gz QNJFBXWQFQTBBP-RWMBFGLXSA-N 2 2 361.427 0.123 10 0 FCAELP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000866709147 672290769 /nfs/dbraw/zinc/29/07/69/672290769.db2.gz QNJFBXWQFQTBBP-RWMBFGLXSA-N 2 2 361.427 0.123 10 0 FCAELP CCOC(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)CC1 ZINC000866717558 672292402 /nfs/dbraw/zinc/29/24/02/672292402.db2.gz IKDFUOVECJLJSN-HOCLYGCPSA-N 2 2 352.479 0.797 10 0 FCAELP CCOC(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)CC1 ZINC000866717558 672292405 /nfs/dbraw/zinc/29/24/05/672292405.db2.gz IKDFUOVECJLJSN-HOCLYGCPSA-N 2 2 352.479 0.797 10 0 FCAELP COCC[N@H+]1[C@H](C)CN(C(=O)NCCCC[NH+]2CCOCC2)C[C@@H]1C ZINC000121875280 672373056 /nfs/dbraw/zinc/37/30/56/672373056.db2.gz MEKLMDYPOFWWRF-CALCHBBNSA-N 2 2 356.511 0.849 10 0 FCAELP COCC[N@@H+]1[C@H](C)CN(C(=O)NCCCC[NH+]2CCOCC2)C[C@@H]1C ZINC000121875280 672373061 /nfs/dbraw/zinc/37/30/61/672373061.db2.gz MEKLMDYPOFWWRF-CALCHBBNSA-N 2 2 356.511 0.849 10 0 FCAELP CN(CC1C[NH+](C)C1)C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000869026958 672419466 /nfs/dbraw/zinc/41/94/66/672419466.db2.gz XCAHAJRKEPSFPQ-UHFFFAOYSA-N 2 2 354.495 0.996 10 0 FCAELP CN(CC[NH+]1CCN(c2ccccc2)CC1)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923619125 672487471 /nfs/dbraw/zinc/48/74/71/672487471.db2.gz URYOVAQPMQETNF-SFHVURJKSA-N 2 2 366.531 0.822 10 0 FCAELP COC(=O)CCN1CCC[C@H]([N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)C1=O ZINC000872149822 672595205 /nfs/dbraw/zinc/59/52/05/672595205.db2.gz QNRBYISIDOMTLM-WOPDTQHZSA-N 2 2 351.369 0.610 10 0 FCAELP COC(=O)CCN1CCC[C@H]([N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)C1=O ZINC000872149822 672595208 /nfs/dbraw/zinc/59/52/08/672595208.db2.gz QNRBYISIDOMTLM-WOPDTQHZSA-N 2 2 351.369 0.610 10 0 FCAELP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@]23COC(=O)N2CCOC3)CC1 ZINC000872262989 672609844 /nfs/dbraw/zinc/60/98/44/672609844.db2.gz SWAKETAZSWQGJX-QGZVFWFLSA-N 2 2 355.435 0.215 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)NC[C@H]2CCCC[N@@H+]2CCO)n1 ZINC000924783169 673764483 /nfs/dbraw/zinc/76/44/83/673764483.db2.gz UMJVLJUPZGQBQE-CQSZACIVSA-N 2 2 355.508 0.851 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)NC[C@H]2CCCC[N@H+]2CCO)n1 ZINC000924783169 673764485 /nfs/dbraw/zinc/76/44/85/673764485.db2.gz UMJVLJUPZGQBQE-CQSZACIVSA-N 2 2 355.508 0.851 10 0 FCAELP C[NH+](C)C[C@H]1NC(=O)N(CC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1=O ZINC000925327654 673787366 /nfs/dbraw/zinc/78/73/66/673787366.db2.gz FJTPPAUHEICQME-OAHLLOKOSA-N 3 2 351.495 0.419 10 0 FCAELP CCO[C@H](CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C[NH+](C)C ZINC000926831873 673844174 /nfs/dbraw/zinc/84/41/74/673844174.db2.gz GOYRUFAZHLAHKY-QGZVFWFLSA-N 3 2 357.543 0.621 10 0 FCAELP CCO[C@H](CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C[NH+](C)C ZINC000926831873 673844176 /nfs/dbraw/zinc/84/41/76/673844176.db2.gz GOYRUFAZHLAHKY-QGZVFWFLSA-N 3 2 357.543 0.621 10 0 FCAELP C(C[NH+]1CCOCC1)N1CCC[C@H]([NH2+][C@H]2CCOC23CCOCC3)C1 ZINC000926866344 673846502 /nfs/dbraw/zinc/84/65/02/673846502.db2.gz MXXSEMBZYKCUCJ-ROUUACIJSA-N 2 2 353.507 0.711 10 0 FCAELP CN(C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000927636537 673873122 /nfs/dbraw/zinc/87/31/22/673873122.db2.gz YVYQWRKEADXAIR-BBWFWOEESA-N 2 2 352.479 0.354 10 0 FCAELP 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/nfs/dbraw/zinc/35/36/85/1198353685.db2.gz IZRHOYVVUTYBSM-IAGOWNOFSA-N 2 2 369.506 0.877 10 0 FCAELP CC[NH+]1CCCC[C@@H]1C(=O)OCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000745087134 1198353687 /nfs/dbraw/zinc/35/36/87/1198353687.db2.gz IZRHOYVVUTYBSM-IAGOWNOFSA-N 2 2 369.506 0.877 10 0 FCAELP CC[NH+]1CCCC[C@@H]1C(=O)OCC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000745087134 1198353691 /nfs/dbraw/zinc/35/36/91/1198353691.db2.gz IZRHOYVVUTYBSM-IAGOWNOFSA-N 2 2 369.506 0.877 10 0 FCAELP CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000745087136 1198354221 /nfs/dbraw/zinc/35/42/21/1198354221.db2.gz IZRHOYVVUTYBSM-IRXDYDNUSA-N 2 2 369.506 0.877 10 0 FCAELP CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000745087136 1198354231 /nfs/dbraw/zinc/35/42/31/1198354231.db2.gz IZRHOYVVUTYBSM-IRXDYDNUSA-N 2 2 369.506 0.877 10 0 FCAELP CC[NH+]1CCCC[C@H]1C(=O)OCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000745087136 1198354245 /nfs/dbraw/zinc/35/42/45/1198354245.db2.gz IZRHOYVVUTYBSM-IRXDYDNUSA-N 2 2 369.506 0.877 10 0 FCAELP CC[NH+]1CCCC[C@H]1C(=O)OCC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000745087136 1198354255 /nfs/dbraw/zinc/35/42/55/1198354255.db2.gz IZRHOYVVUTYBSM-IRXDYDNUSA-N 2 2 369.506 0.877 10 0 FCAELP Cc1cc(N2CCN(C(=O)C[NH2+][C@H](CO)C3CC3)CC2)nc(C(C)C)[nH+]1 ZINC000771809142 1200653013 /nfs/dbraw/zinc/65/30/13/1200653013.db2.gz RKNFOVJCKQZAAI-MRXNPFEDSA-N 2 2 361.490 0.918 10 0 FCAELP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)CC1 ZINC000746640527 1200866820 /nfs/dbraw/zinc/86/68/20/1200866820.db2.gz ZVHLQJVOMNGREG-UHFFFAOYSA-N 2 2 374.485 0.664 10 0 FCAELP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cn1 ZINC000815703556 1203048397 /nfs/dbraw/zinc/04/83/97/1203048397.db2.gz HYAGIVMJNQXZMM-HIFRSBDPSA-N 2 2 354.414 0.677 10 0 FCAELP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cn1 ZINC000815703556 1203048400 /nfs/dbraw/zinc/04/84/00/1203048400.db2.gz HYAGIVMJNQXZMM-HIFRSBDPSA-N 2 2 354.414 0.677 10 0 FCAELP COC(=O)CC[C@@H]([NH3+])c1nc(-c2ccc(N3CC[NH+](C)CC3)nc2)no1 ZINC000822916050 1203239704 /nfs/dbraw/zinc/23/97/04/1203239704.db2.gz VWIPLCZYWXZXJR-CYBMUJFWSA-N 2 2 360.418 0.836 10 0 FCAELP C[NH+](C)CCN1CC[N@H+](C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CC1=O ZINC000846012526 1204575676 /nfs/dbraw/zinc/57/56/76/1204575676.db2.gz CSVVWKHCPIEGPO-DNVCBOLYSA-N 2 2 366.506 0.949 10 0 FCAELP C[NH+](C)CCN1CC[N@@H+](C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CC1=O ZINC000846012526 1204575679 /nfs/dbraw/zinc/57/56/79/1204575679.db2.gz CSVVWKHCPIEGPO-DNVCBOLYSA-N 2 2 366.506 0.949 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)ccc2[nH+]1 ZINC000774249681 1206430491 /nfs/dbraw/zinc/43/04/91/1206430491.db2.gz DDWRRYMAAPKVNG-HUUCEWRRSA-N 2 2 357.414 0.561 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)ccc2[nH+]1 ZINC000774249681 1206430492 /nfs/dbraw/zinc/43/04/92/1206430492.db2.gz DDWRRYMAAPKVNG-HUUCEWRRSA-N 2 2 357.414 0.561 10 0 FCAELP C[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+](C)C2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000775420027 1207735507 /nfs/dbraw/zinc/73/55/07/1207735507.db2.gz HDWOMPXGJZPJCL-LSDHHAIUSA-N 2 2 369.510 0.931 10 0 FCAELP C[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000775420027 1207735512 /nfs/dbraw/zinc/73/55/12/1207735512.db2.gz HDWOMPXGJZPJCL-LSDHHAIUSA-N 2 2 369.510 0.931 10 0 FCAELP C[NH+]1CCC[C@H](NC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000775420027 1207735514 /nfs/dbraw/zinc/73/55/14/1207735514.db2.gz HDWOMPXGJZPJCL-LSDHHAIUSA-N 2 2 369.510 0.931 10 0 FCAELP C[NH+]1CCC[C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000775420027 1207735519 /nfs/dbraw/zinc/73/55/19/1207735519.db2.gz HDWOMPXGJZPJCL-LSDHHAIUSA-N 2 2 369.510 0.931 10 0 FCAELP CCn1ncc(C[NH2+][C@]2(CO)CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001273875169 1208443147 /nfs/dbraw/zinc/44/31/47/1208443147.db2.gz CFWHZHDRYPKGRV-QGPMSJSTSA-N 2 2 364.494 0.081 10 0 FCAELP CCn1ncc(C[NH2+][C@]2(CO)CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001273875169 1208443150 /nfs/dbraw/zinc/44/31/50/1208443150.db2.gz CFWHZHDRYPKGRV-QGPMSJSTSA-N 2 2 364.494 0.081 10 0 FCAELP Cc1cc(NC(=O)C[NH2+][C@@H]2CC[C@H](CNC(=O)Cn3cc[nH+]c3)C2)on1 ZINC001488972438 1208591675 /nfs/dbraw/zinc/59/16/75/1208591675.db2.gz FWBLHSDUZRBUKP-UONOGXRCSA-N 2 2 360.418 0.693 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CC(=O)NCC(F)(F)F ZINC001489129153 1208634531 /nfs/dbraw/zinc/63/45/31/1208634531.db2.gz WTQJCKLDGCDLJY-QWHCGFSZSA-N 2 2 366.428 0.976 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1CC(=O)NCC(F)(F)F ZINC001489129153 1208634536 /nfs/dbraw/zinc/63/45/36/1208634536.db2.gz WTQJCKLDGCDLJY-QWHCGFSZSA-N 2 2 366.428 0.976 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CC(=O)NC[C@H]1CCCO1 ZINC001489286815 1208717673 /nfs/dbraw/zinc/71/76/73/1208717673.db2.gz MKZNBKQTOWQBTN-OAGGEKHMSA-N 2 2 366.506 0.202 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1CC(=O)NC[C@H]1CCCO1 ZINC001489286815 1208717678 /nfs/dbraw/zinc/71/76/78/1208717678.db2.gz MKZNBKQTOWQBTN-OAGGEKHMSA-N 2 2 366.506 0.202 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CCCS(C)(=O)=O ZINC001489293045 1208723231 /nfs/dbraw/zinc/72/32/31/1208723231.db2.gz GUUYVIIBCNNRFA-ZBFHGGJFSA-N 2 2 359.536 0.732 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CCCS(C)(=O)=O ZINC001489293045 1208723237 /nfs/dbraw/zinc/72/32/37/1208723237.db2.gz GUUYVIIBCNNRFA-ZBFHGGJFSA-N 2 2 359.536 0.732 10 0 FCAELP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001489893117 1209114024 /nfs/dbraw/zinc/11/40/24/1209114024.db2.gz UIHDSRVVXQBDPN-LSDHHAIUSA-N 2 2 361.490 0.848 10 0 FCAELP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001490423198 1209349346 /nfs/dbraw/zinc/34/93/46/1209349346.db2.gz CNNCEFVPZGUYME-IAGOWNOFSA-N 2 2 361.490 0.970 10 0 FCAELP CC(C)OCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001490550978 1209369833 /nfs/dbraw/zinc/36/98/33/1209369833.db2.gz UGNOUBBMNQZQJB-KSZLIROESA-N 2 2 369.506 0.482 10 0 FCAELP CC(C)OCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001490550978 1209369835 /nfs/dbraw/zinc/36/98/35/1209369835.db2.gz UGNOUBBMNQZQJB-KSZLIROESA-N 2 2 369.506 0.482 10 0 FCAELP C[N@H+](CCO)C[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001490766238 1209426021 /nfs/dbraw/zinc/42/60/21/1209426021.db2.gz ZCFBQEAPMHGZPK-KSZLIROESA-N 2 2 369.506 0.029 10 0 FCAELP C[N@@H+](CCO)C[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001490766238 1209426023 /nfs/dbraw/zinc/42/60/23/1209426023.db2.gz ZCFBQEAPMHGZPK-KSZLIROESA-N 2 2 369.506 0.029 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cccc2nonc21 ZINC000850571860 1209459585 /nfs/dbraw/zinc/45/95/85/1209459585.db2.gz DBFDCTLVZBAUDH-LBPRGKRZSA-N 2 2 362.434 0.550 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cccc2nonc21 ZINC000850571860 1209459590 /nfs/dbraw/zinc/45/95/90/1209459590.db2.gz DBFDCTLVZBAUDH-LBPRGKRZSA-N 2 2 362.434 0.550 10 0 FCAELP COC(=O)NC1CC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000852771207 1209563097 /nfs/dbraw/zinc/56/30/97/1209563097.db2.gz LBCBYRXVADARHY-INIZCTEOSA-N 2 2 370.494 0.280 10 0 FCAELP COC(=O)NC1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000852771207 1209563107 /nfs/dbraw/zinc/56/31/07/1209563107.db2.gz LBCBYRXVADARHY-INIZCTEOSA-N 2 2 370.494 0.280 10 0 FCAELP [NH3+]C[C@H]1CC(C(=O)Nc2ccc3[nH]c(CC[NH+]4CCOCC4)nc3c2)=NO1 ZINC000852872604 1209571300 /nfs/dbraw/zinc/57/13/00/1209571300.db2.gz IUUAJAVAJSJCPJ-CYBMUJFWSA-N 2 2 372.429 0.480 10 0 FCAELP CCN1CC[NH+](Cc2ccccc2CNC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852872730 1209571773 /nfs/dbraw/zinc/57/17/73/1209571773.db2.gz KXXWKDGKYYRHPQ-QGZVFWFLSA-N 2 2 359.474 0.544 10 0 FCAELP O=C(C=C1CC[NH2+]CC1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000852884356 1209572908 /nfs/dbraw/zinc/57/29/08/1209572908.db2.gz JFGBADNLLBKGCJ-UHFFFAOYSA-N 2 2 372.473 0.272 10 0 FCAELP O=C(C=C1CC[NH2+]CC1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000852884356 1209572916 /nfs/dbraw/zinc/57/29/16/1209572916.db2.gz JFGBADNLLBKGCJ-UHFFFAOYSA-N 2 2 372.473 0.272 10 0 FCAELP COc1cccc(OCC[NH+]2CCN(C(=O)C3=NO[C@@H](C[NH3+])C3)CC2)c1 ZINC000852886367 1209572957 /nfs/dbraw/zinc/57/29/57/1209572957.db2.gz KQKILBUOGLNZCK-MRXNPFEDSA-N 2 2 362.430 0.322 10 0 FCAELP Cn1ncc2c1nc(CCC(=O)NCC[N@H+](C)CCC[NH+](C)C)[nH]c2=O ZINC000855417364 1209669030 /nfs/dbraw/zinc/66/90/30/1209669030.db2.gz ZOQAUBPBHCUWHP-UHFFFAOYSA-N 2 2 363.466 0.001 10 0 FCAELP Cn1ncc2c1nc(CCC(=O)NCC[N@@H+](C)CCC[NH+](C)C)[nH]c2=O ZINC000855417364 1209669036 /nfs/dbraw/zinc/66/90/36/1209669036.db2.gz ZOQAUBPBHCUWHP-UHFFFAOYSA-N 2 2 363.466 0.001 10 0 FCAELP CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)ccn1 ZINC000856630370 1209720663 /nfs/dbraw/zinc/72/06/63/1209720663.db2.gz 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0.240 10 0 FCAELP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861559877 1209871434 /nfs/dbraw/zinc/87/14/34/1209871434.db2.gz WGPBHFPFLIJLAE-CFVMTHIKSA-N 2 2 362.434 0.238 10 0 FCAELP C[C@@H](NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)[C@@H](C)[NH+]1CCOCC1 ZINC000865178940 1209974445 /nfs/dbraw/zinc/97/44/45/1209974445.db2.gz JSXHXKQDJYOMLV-KFWWJZLASA-N 2 2 372.510 0.667 10 0 FCAELP CO[C@@H]1CN2C(=O)N(C3CC[NH+](C4CC[NH+](C)CC4)CC3)C(=O)[C@]2(C)C1 ZINC000865302715 1209975659 /nfs/dbraw/zinc/97/56/59/1209975659.db2.gz ZWSDSLSOMPYRSU-LPHOPBHVSA-N 2 2 364.490 0.987 10 0 FCAELP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+]([C@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000866714104 1210004441 /nfs/dbraw/zinc/00/44/41/1210004441.db2.gz GEUPOXGZPADZDB-SJWGOKEGSA-N 2 2 374.416 0.798 10 0 FCAELP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+]([C@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000866714104 1210004446 /nfs/dbraw/zinc/00/44/46/1210004446.db2.gz GEUPOXGZPADZDB-SJWGOKEGSA-N 2 2 374.416 0.798 10 0 FCAELP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)c3cn(CCC[NH3+])nn3)C2)cc1 ZINC000867998374 1210038502 /nfs/dbraw/zinc/03/85/02/1210038502.db2.gz VSWKGRMZQLIEBJ-QGZVFWFLSA-N 2 2 372.473 0.566 10 0 FCAELP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)c3cn(CCC[NH3+])nn3)C2)cc1 ZINC000867998374 1210038505 /nfs/dbraw/zinc/03/85/05/1210038505.db2.gz VSWKGRMZQLIEBJ-QGZVFWFLSA-N 2 2 372.473 0.566 10 0 FCAELP O=C([C@H](O)c1c[nH+]c[nH]1)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000868276313 1210048812 /nfs/dbraw/zinc/04/88/12/1210048812.db2.gz PPJXHSRMLGCOMC-PKOBYXMFSA-N 2 2 369.469 0.862 10 0 FCAELP O=C([C@H](O)c1c[nH+]c[nH]1)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000868276313 1210048815 /nfs/dbraw/zinc/04/88/15/1210048815.db2.gz PPJXHSRMLGCOMC-PKOBYXMFSA-N 2 2 369.469 0.862 10 0 FCAELP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)C1 ZINC000868383650 1210057431 /nfs/dbraw/zinc/05/74/31/1210057431.db2.gz XCPISZPLEGSPHG-IFXJQAMLSA-N 2 2 361.490 0.960 10 0 FCAELP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1C ZINC000872188176 1210176171 /nfs/dbraw/zinc/17/61/71/1210176171.db2.gz QNYOWLMZVUAOHD-IFXJQAMLSA-N 2 2 360.458 0.733 10 0 FCAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872304274 1210188363 /nfs/dbraw/zinc/18/83/63/1210188363.db2.gz KVNOPMULPOQOKD-ZNMIVQPWSA-N 2 2 359.430 0.155 10 0 FCAELP c1nc(N2CCC[C@H]([NH2+][C@@H]3CN4C[C@@H]3CCC4)C2)cc(N2CCOCC2)[nH+]1 ZINC000925397275 1211498978 /nfs/dbraw/zinc/49/89/78/1211498978.db2.gz PINFOBAXOFZOFU-OKZBNKHCSA-N 2 2 372.517 0.966 10 0 FCAELP CCO[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C[NH+](C)C ZINC000926842804 1211556903 /nfs/dbraw/zinc/55/69/03/1211556903.db2.gz SKVLVVTYGKJGBG-ZWKOTPCHSA-N 3 2 369.554 0.763 10 0 FCAELP CCO[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C[NH+](C)C ZINC000926842804 1211556914 /nfs/dbraw/zinc/55/69/14/1211556914.db2.gz SKVLVVTYGKJGBG-ZWKOTPCHSA-N 3 2 369.554 0.763 10 0 FCAELP C[C@@H](c1cccc(NC(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)c1)[NH+]1CCOCC1 ZINC000927816623 1211583404 /nfs/dbraw/zinc/58/34/04/1211583404.db2.gz CGWJAWICYVGMCI-VYDXJSESSA-N 2 2 374.485 0.990 10 0 FCAELP CCO[C@@H](CNC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C)C[NH+](C)C ZINC000931150389 1211742876 /nfs/dbraw/zinc/74/28/76/1211742876.db2.gz SKOYOKIKGJUOLB-DOTOQJQBSA-N 2 2 362.474 0.372 10 0 FCAELP CCO[C@@H](CNC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C)C[NH+](C)C ZINC000931150389 1211742878 /nfs/dbraw/zinc/74/28/78/1211742878.db2.gz SKOYOKIKGJUOLB-DOTOQJQBSA-N 2 2 362.474 0.372 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](c2cnn(C)c2)C2(CO)CCC2)CC1 ZINC000647943505 1213468705 /nfs/dbraw/zinc/46/87/05/1213468705.db2.gz PMOYMQWAIPSQPA-DOTOQJQBSA-N 2 2 363.506 0.766 10 0 FCAELP C/C(=C/C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C[NH+]1CCOCC1 ZINC000901105685 1218081377 /nfs/dbraw/zinc/08/13/77/1218081377.db2.gz JPVHBDYHXMPFKZ-YHKKIHSWSA-N 2 2 364.490 0.030 10 0 FCAELP C/C(=C/C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C[NH+]1CCOCC1 ZINC000901105685 1218081381 /nfs/dbraw/zinc/08/13/81/1218081381.db2.gz JPVHBDYHXMPFKZ-YHKKIHSWSA-N 2 2 364.490 0.030 10 0 FCAELP [NH3+][C@H]1CN(C(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)CC[C@H]1C(F)(F)F ZINC000903732639 1218510358 /nfs/dbraw/zinc/51/03/58/1218510358.db2.gz UHRQJTDAXADDSX-OLZOCXBDSA-N 2 2 373.379 0.785 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001490925823 1220045570 /nfs/dbraw/zinc/04/55/70/1220045570.db2.gz FEMXDBIIIUETSY-ROYATCLZSA-N 2 2 373.501 0.973 10 0 FCAELP CC(C)C[C@H](NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)C(=O)NCC[NH+](C)C ZINC000759354588 1220308146 /nfs/dbraw/zinc/30/81/46/1220308146.db2.gz IUWQJFSUEILOCB-HOTGVXAUSA-N 2 2 371.526 0.099 10 0 FCAELP CC(C)C[C@H](NC(=O)NCC[N@H+]1CCO[C@@H](C)C1)C(=O)NCC[NH+](C)C ZINC000759354588 1220308149 /nfs/dbraw/zinc/30/81/49/1220308149.db2.gz IUWQJFSUEILOCB-HOTGVXAUSA-N 2 2 371.526 0.099 10 0 FCAELP Cc1cc(N2CCN(C(=O)C[N@@H+]3C[C@H]4C[C@@]4(CO)C3)CC2)nc(C(C)C)[nH+]1 ZINC000782624454 1221178074 /nfs/dbraw/zinc/17/80/74/1221178074.db2.gz XOOKGBIIYGNWFG-UZLBHIALSA-N 2 2 373.501 0.871 10 0 FCAELP Cc1cc(N2CCN(C(=O)C[N@H+]3C[C@H]4C[C@@]4(CO)C3)CC2)nc(C(C)C)[nH+]1 ZINC000782624454 1221178077 /nfs/dbraw/zinc/17/80/77/1221178077.db2.gz XOOKGBIIYGNWFG-UZLBHIALSA-N 2 2 373.501 0.871 10 0 FCAELP O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC001118861522 1221836998 /nfs/dbraw/zinc/83/69/98/1221836998.db2.gz KKSYVBCEOAGXTA-AWEZNQCLSA-N 2 2 359.478 0.555 10 0 FCAELP CN(CCCCCC[NH3+])C(=O)C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001119066260 1221861979 /nfs/dbraw/zinc/86/19/79/1221861979.db2.gz IQYFGZJWKRSCFF-UHFFFAOYSA-N 2 2 367.538 0.202 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC001119635614 1221942773 /nfs/dbraw/zinc/94/27/73/1221942773.db2.gz BTFYHFFJIYXKTN-UZLBHIALSA-N 2 2 374.485 0.204 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC[C@H]1C[NH3+] ZINC001119703252 1221953011 /nfs/dbraw/zinc/95/30/11/1221953011.db2.gz MXMVVQJIWNFEDK-PMPSAXMXSA-N 2 2 361.490 0.645 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC([C@@H](F)C(N)=O)CC3)C2)CC1 ZINC001123601178 1222342351 /nfs/dbraw/zinc/34/23/51/1222342351.db2.gz SDKIKBPMCPWYOO-GOEBONIOSA-N 2 2 369.485 0.400 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC([C@@H](F)C(N)=O)CC3)C2)CC1 ZINC001123601178 1222342353 /nfs/dbraw/zinc/34/23/53/1222342353.db2.gz SDKIKBPMCPWYOO-GOEBONIOSA-N 2 2 369.485 0.400 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849587898 1245405523 /nfs/dbraw/zinc/40/55/23/1245405523.db2.gz JKWNTIFZBCXXMM-KBAYOESNSA-N 2 2 363.506 0.635 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849587898 1245405527 /nfs/dbraw/zinc/40/55/27/1245405527.db2.gz JKWNTIFZBCXXMM-KBAYOESNSA-N 2 2 363.506 0.635 10 0 FCAELP C/C(=C\C(=O)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1)C[NH+]1CCOCC1 ZINC000909368034 1245482169 /nfs/dbraw/zinc/48/21/69/1245482169.db2.gz QHZUMYVTRIAALJ-FYPAKXHLSA-N 2 2 364.490 0.078 10 0 FCAELP Cn1nccc1[C@H](O)C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000922970464 1245693071 /nfs/dbraw/zinc/69/30/71/1245693071.db2.gz OUPKOFBGFWOMON-LJQANCHMSA-N 2 2 360.458 0.954 10 0 FCAELP Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3CC[NH2+]CC[NH2+]CC3)CC2)cc1 ZINC000923459705 1245720003 /nfs/dbraw/zinc/72/00/03/1245720003.db2.gz MANBEAPEDADSGY-UHFFFAOYSA-N 3 2 373.545 0.524 10 0 FCAELP Cc1ccc(C[N@H+]2CCCN(C(=O)CN3CC[NH2+]CC[NH2+]CC3)CC2)cc1 ZINC000923459705 1245720008 /nfs/dbraw/zinc/72/00/08/1245720008.db2.gz MANBEAPEDADSGY-UHFFFAOYSA-N 3 2 373.545 0.524 10 0 FCAELP C[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)[C@H]1CN(C)CC[NH+]1C ZINC001519655308 1265744676 /nfs/dbraw/zinc/74/46/76/1265744676.db2.gz QGHLAEVKVLRVTO-ZJIFWQFVSA-N 2 2 355.552 0.500 10 0 FCAELP C[C@H](NC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12)[C@H]1CN(C)CC[NH+]1C ZINC001519655308 1265744682 /nfs/dbraw/zinc/74/46/82/1265744682.db2.gz QGHLAEVKVLRVTO-ZJIFWQFVSA-N 2 2 355.552 0.500 10 0 FCAELP C[C@H](NC(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12)[C@H]1CN(C)CC[N@@H+]1C ZINC001519655308 1265744689 /nfs/dbraw/zinc/74/46/89/1265744689.db2.gz QGHLAEVKVLRVTO-ZJIFWQFVSA-N 2 2 355.552 0.500 10 0 FCAELP C[C@H](NC(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12)[C@H]1CN(C)CC[N@H+]1C ZINC001519655308 1265744693 /nfs/dbraw/zinc/74/46/93/1265744693.db2.gz QGHLAEVKVLRVTO-ZJIFWQFVSA-N 2 2 355.552 0.500 10 0 FCAELP C[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)[C@@H]1CN(C)CC[NH+]1C ZINC001519655304 1265745248 /nfs/dbraw/zinc/74/52/48/1265745248.db2.gz QGHLAEVKVLRVTO-FZKCQIBNSA-N 2 2 355.552 0.500 10 0 FCAELP C[C@H](NC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)[C@@H]1CN(C)CC[NH+]1C ZINC001519655304 1265745252 /nfs/dbraw/zinc/74/52/52/1265745252.db2.gz QGHLAEVKVLRVTO-FZKCQIBNSA-N 2 2 355.552 0.500 10 0 FCAELP C[C@H](NC(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12)[C@@H]1CN(C)CC[N@@H+]1C ZINC001519655304 1265745259 /nfs/dbraw/zinc/74/52/59/1265745259.db2.gz QGHLAEVKVLRVTO-FZKCQIBNSA-N 2 2 355.552 0.500 10 0 FCAELP C[C@H](NC(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12)[C@@H]1CN(C)CC[N@H+]1C ZINC001519655304 1265745264 /nfs/dbraw/zinc/74/52/64/1265745264.db2.gz QGHLAEVKVLRVTO-FZKCQIBNSA-N 2 2 355.552 0.500 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C ZINC001520726715 1265980980 /nfs/dbraw/zinc/98/09/80/1265980980.db2.gz ZOAFOBORDPIJFH-LZWOXQAQSA-N 2 2 363.462 0.026 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCN1C ZINC001520994116 1266057891 /nfs/dbraw/zinc/05/78/91/1266057891.db2.gz CFXBZGZZXLMSEA-ULQDDVLXSA-N 3 2 356.559 0.192 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCN1C ZINC001520994116 1266057902 /nfs/dbraw/zinc/05/79/02/1266057902.db2.gz CFXBZGZZXLMSEA-ULQDDVLXSA-N 3 2 356.559 0.192 10 0 FCAELP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001520994116 1266057924 /nfs/dbraw/zinc/05/79/24/1266057924.db2.gz CFXBZGZZXLMSEA-ULQDDVLXSA-N 3 2 356.559 0.192 10 0 FCAELP C[NH+](C)CCC(=O)N1C[C@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@@]2(C)C1 ZINC001521687137 1266164460 /nfs/dbraw/zinc/16/44/60/1266164460.db2.gz WUKZLVYVBGRBDN-APWZRJJASA-N 2 2 361.490 0.922 10 0 FCAELP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001521945092 1266248147 /nfs/dbraw/zinc/24/81/47/1266248147.db2.gz TTXYXDYBMUTVDG-RBSFLKMASA-N 2 2 367.469 0.843 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2nc(-c3ccoc3)no2)CC[N@@H+]1C ZINC001331713332 1266272255 /nfs/dbraw/zinc/27/22/55/1266272255.db2.gz ZNEUZVKADBCXBT-KWCYVHTRSA-N 2 2 363.418 0.237 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2nc(-c3ccoc3)no2)CC[N@H+]1C ZINC001331713332 1266272261 /nfs/dbraw/zinc/27/22/61/1266272261.db2.gz ZNEUZVKADBCXBT-KWCYVHTRSA-N 2 2 363.418 0.237 10 0 FCAELP CC[C@H](C(=O)N1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1)[NH+](C)C ZINC001522012357 1266297749 /nfs/dbraw/zinc/29/77/49/1266297749.db2.gz JHGDUCSYPMFVDZ-BFYDXBDKSA-N 2 2 363.506 0.904 10 0 FCAELP CN(C(=O)CC[NH+](C)C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001336493243 1260149477 /nfs/dbraw/zinc/14/94/77/1260149477.db2.gz XWZGCTJJDYPQOA-HZPDHXFCSA-N 2 2 361.490 0.925 10 0 FCAELP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CC(=O)NCc2ccco2)[C@@H]1C ZINC001264711262 1260398023 /nfs/dbraw/zinc/39/80/23/1260398023.db2.gz BIYFQSAFYXHHRI-ZBFHGGJFSA-N 2 2 359.430 0.680 10 0 FCAELP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCc2ccco2)[C@@H]1C ZINC001264711262 1260398030 /nfs/dbraw/zinc/39/80/30/1260398030.db2.gz BIYFQSAFYXHHRI-ZBFHGGJFSA-N 2 2 359.430 0.680 10 0 FCAELP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001265286032 1260411383 /nfs/dbraw/zinc/41/13/83/1260411383.db2.gz MFPPOZWYHKDXPJ-QLFBSQMISA-N 2 2 367.494 0.143 10 0 FCAELP CCCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001265286032 1260411384 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/nfs/dbraw/zinc/17/61/25/1292176125.db2.gz KBSYWMFSFJSGQW-GPMSIDNRSA-N 2 2 362.474 0.863 10 0 FCAELP CO[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001675771999 1292184383 /nfs/dbraw/zinc/18/43/83/1292184383.db2.gz OXKHNRDUDAYNBH-ZKXLYKBJSA-N 2 2 369.506 0.386 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CCc2[nH+]ccn2C)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001685352069 1292510686 /nfs/dbraw/zinc/51/06/86/1292510686.db2.gz NMGVAICXAYFKOA-OAGGEKHMSA-N 2 2 361.490 0.800 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CCc2[nH+]ccn2C)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001685352069 1292510696 /nfs/dbraw/zinc/51/06/96/1292510696.db2.gz NMGVAICXAYFKOA-OAGGEKHMSA-N 2 2 361.490 0.800 10 0 FCAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001685732873 1292614907 /nfs/dbraw/zinc/61/49/07/1292614907.db2.gz KISMNDUHMBTUBM-UKRRQHHQSA-N 2 2 361.490 0.956 10 0 FCAELP C[C@@H]1CC[N@H+](CC(=O)NCC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)C1 ZINC001685891792 1292683773 /nfs/dbraw/zinc/68/37/73/1292683773.db2.gz ZNBIKMSKSNXXMF-BZUAXINKSA-N 2 2 361.490 0.895 10 0 FCAELP C[C@@H]1CC[N@@H+](CC(=O)NCC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)C1 ZINC001685891792 1292683782 /nfs/dbraw/zinc/68/37/82/1292683782.db2.gz ZNBIKMSKSNXXMF-BZUAXINKSA-N 2 2 361.490 0.895 10 0 FCAELP COCC[NH+](CCOC)C1CCN(C(=O)NCCc2cn(C)c[nH+]2)CC1 ZINC001686720750 1292951017 /nfs/dbraw/zinc/95/10/17/1292951017.db2.gz FMKKXXNSWXJDSQ-UHFFFAOYSA-N 2 2 367.494 0.731 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)CC(F)F ZINC001118217948 847329277 /nfs/dbraw/zinc/32/92/77/847329277.db2.gz DISHUWDUVQRLRS-STQMWFEESA-N 2 2 360.449 0.679 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)CC(F)F ZINC001118217948 847329284 /nfs/dbraw/zinc/32/92/84/847329284.db2.gz DISHUWDUVQRLRS-STQMWFEESA-N 2 2 360.449 0.679 10 0 FCAELP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cncs1 ZINC001119770278 847970603 /nfs/dbraw/zinc/97/06/03/847970603.db2.gz SFTHTQXWHOAYTL-CHWSQXEVSA-N 2 2 365.503 0.605 10 0 FCAELP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cncs1 ZINC001119770278 847970609 /nfs/dbraw/zinc/97/06/09/847970609.db2.gz SFTHTQXWHOAYTL-CHWSQXEVSA-N 2 2 365.503 0.605 10 0 FCAELP O=C(NCC[N@@H+]1CCC2(C1)OCCO2)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC001123615018 848614076 /nfs/dbraw/zinc/61/40/76/848614076.db2.gz SGHLHGGFCHZHBU-CABCVRRESA-N 2 2 370.519 0.314 10 0 FCAELP O=C(NCC[N@H+]1CCC2(C1)OCCO2)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC001123615018 848614081 /nfs/dbraw/zinc/61/40/81/848614081.db2.gz SGHLHGGFCHZHBU-CABCVRRESA-N 2 2 370.519 0.314 10 0 FCAELP O=C(NCC[NH+]1CCC2(C1)OCCO2)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001123615018 848614086 /nfs/dbraw/zinc/61/40/86/848614086.db2.gz SGHLHGGFCHZHBU-CABCVRRESA-N 2 2 370.519 0.314 10 0 FCAELP O=C(NCC[NH+]1CCC2(C1)OCCO2)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001123615018 848614092 /nfs/dbraw/zinc/61/40/92/848614092.db2.gz SGHLHGGFCHZHBU-CABCVRRESA-N 2 2 370.519 0.314 10 0 FCAELP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H](C[NH2+]CCS(C)(=O)=O)C1CC1 ZINC001277702205 862015592 /nfs/dbraw/zinc/01/55/92/862015592.db2.gz JAZHRNAYCZDNNN-RBSFLKMASA-N 2 2 368.503 0.395 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@H](n1cncn1)C(F)(F)F ZINC001234454484 857406039 /nfs/dbraw/zinc/40/60/39/857406039.db2.gz APMTYUAHFGLRLD-LBPRGKRZSA-N 2 2 365.404 0.564 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@H](n1cncn1)C(F)(F)F ZINC001234454484 857406044 /nfs/dbraw/zinc/40/60/44/857406044.db2.gz APMTYUAHFGLRLD-LBPRGKRZSA-N 2 2 365.404 0.564 10 0 FCAELP C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C[NH2+]CCOCC2CC2)C1 ZINC001263984273 859268188 /nfs/dbraw/zinc/26/81/88/859268188.db2.gz QKWZUWNJVBLJKH-BPQIPLTHSA-N 2 2 353.507 0.960 10 0 FCAELP C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C[NH2+]CCOCC2CC2)C1 ZINC001263984273 859268199 /nfs/dbraw/zinc/26/81/99/859268199.db2.gz QKWZUWNJVBLJKH-BPQIPLTHSA-N 2 2 353.507 0.960 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[N@@H+]1CCCS(C)(=O)=O ZINC001264148341 859327225 /nfs/dbraw/zinc/32/72/25/859327225.db2.gz DWXNSDRNOHXHNB-CVEARBPZSA-N 2 2 371.547 0.876 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[N@H+]1CCCS(C)(=O)=O ZINC001264148341 859327227 /nfs/dbraw/zinc/32/72/27/859327227.db2.gz DWXNSDRNOHXHNB-CVEARBPZSA-N 2 2 371.547 0.876 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@H+]1CCNS(C)(=O)=O ZINC001264161128 859335024 /nfs/dbraw/zinc/33/50/24/859335024.db2.gz CDVOWTTYQJVHEP-KGLIPLIRSA-N 2 2 362.540 0.093 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1CCNS(C)(=O)=O ZINC001264161128 859335016 /nfs/dbraw/zinc/33/50/16/859335016.db2.gz CDVOWTTYQJVHEP-KGLIPLIRSA-N 2 2 362.540 0.093 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[NH+]1CCNS(C)(=O)=O ZINC001264161128 859335031 /nfs/dbraw/zinc/33/50/31/859335031.db2.gz CDVOWTTYQJVHEP-KGLIPLIRSA-N 2 2 362.540 0.093 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[NH+]1CCNS(C)(=O)=O ZINC001264161128 859335037 /nfs/dbraw/zinc/33/50/37/859335037.db2.gz CDVOWTTYQJVHEP-KGLIPLIRSA-N 2 2 362.540 0.093 10 0 FCAELP C[C@@H](C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C)CS(C)(=O)=O ZINC001264709336 859431764 /nfs/dbraw/zinc/43/17/64/859431764.db2.gz QKDUWDQRDLDCBE-XHSDSOJGSA-N 2 2 371.547 0.875 10 0 FCAELP C[C@@H](C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C)CS(C)(=O)=O ZINC001264709336 859431768 /nfs/dbraw/zinc/43/17/68/859431768.db2.gz QKDUWDQRDLDCBE-XHSDSOJGSA-N 2 2 371.547 0.875 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]([NH2+]CCS(C)(=O)=O)C1CC1 ZINC001265372545 859459203 /nfs/dbraw/zinc/45/92/03/859459203.db2.gz LGOLPVMOIYBJJM-MCIONIFRSA-N 2 2 354.476 0.053 10 0 FCAELP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CC(=O)NCC(F)(F)F ZINC001266151618 859472689 /nfs/dbraw/zinc/47/26/89/859472689.db2.gz FZKPGSIQBMXNHF-HBNTYKKESA-N 2 2 361.368 0.676 10 0 FCAELP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CC(=O)NCC(F)(F)F ZINC001266151618 859472695 /nfs/dbraw/zinc/47/26/95/859472695.db2.gz FZKPGSIQBMXNHF-HBNTYKKESA-N 2 2 361.368 0.676 10 0 FCAELP Cc1nnsc1C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001284491990 864569759 /nfs/dbraw/zinc/56/97/59/864569759.db2.gz GAIOVRGCYCMYBJ-MGPQQGTHSA-N 2 2 355.508 0.438 10 0 FCAELP Cc1nnsc1C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001284491990 864569766 /nfs/dbraw/zinc/56/97/66/864569766.db2.gz GAIOVRGCYCMYBJ-MGPQQGTHSA-N 2 2 355.508 0.438 10 0 FCAELP Cc1nnsc1C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001284491990 864569772 /nfs/dbraw/zinc/56/97/72/864569772.db2.gz GAIOVRGCYCMYBJ-MGPQQGTHSA-N 2 2 355.508 0.438 10 0 FCAELP Cc1nnsc1C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001284491990 864569779 /nfs/dbraw/zinc/56/97/79/864569779.db2.gz GAIOVRGCYCMYBJ-MGPQQGTHSA-N 2 2 355.508 0.438 10 0 FCAELP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC001290707599 865497775 /nfs/dbraw/zinc/49/77/75/865497775.db2.gz IGPQYYLEMVLRJE-MCIONIFRSA-N 2 2 353.442 0.738 10 0 FCAELP CC[C@@H](C(=O)N1CC(N2CC[NH+](CC)CC2)C1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001350717846 866668697 /nfs/dbraw/zinc/66/86/97/866668697.db2.gz UKHFSQOZKJLCPP-ROUUACIJSA-N 2 2 352.523 0.724 10 0 FCAELP CC[C@@H](C(=O)N1CC(N2CC[NH+](CC)CC2)C1)[N@H+]1CCO[C@@H](CC)C1 ZINC001350717846 866668713 /nfs/dbraw/zinc/66/87/13/866668713.db2.gz UKHFSQOZKJLCPP-ROUUACIJSA-N 2 2 352.523 0.724 10 0 FCAELP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001316663561 867384371 /nfs/dbraw/zinc/38/43/71/867384371.db2.gz HFSYVVOQIVOHAC-UONOGXRCSA-N 2 2 356.492 0.272 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001316667577 867387845 /nfs/dbraw/zinc/38/78/45/867387845.db2.gz WJZGMLKEHZAXOI-QLFBSQMISA-N 2 2 367.519 0.881 10 0 FCAELP C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H](C[NH2+]CCOCCO)C1 ZINC001316700812 867409240 /nfs/dbraw/zinc/40/92/40/867409240.db2.gz USLPFBPHPCIYOW-QKPAOTATSA-N 2 2 350.463 0.739 10 0 FCAELP C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H](C[NH2+]CCOCCO)C1 ZINC001316700812 867409248 /nfs/dbraw/zinc/40/92/48/867409248.db2.gz USLPFBPHPCIYOW-QKPAOTATSA-N 2 2 350.463 0.739 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N2CCc3sc(C[NH2+]CC(N)=O)nc3C2)CC[N@@H+]1C ZINC001316810758 867509385 /nfs/dbraw/zinc/50/93/85/867509385.db2.gz XCSMIKWHCLHENG-WCQYABFASA-N 2 2 365.503 0.333 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N2CCc3sc(C[NH2+]CC(N)=O)nc3C2)CC[N@H+]1C ZINC001316810758 867509396 /nfs/dbraw/zinc/50/93/96/867509396.db2.gz XCSMIKWHCLHENG-WCQYABFASA-N 2 2 365.503 0.333 10 0 FCAELP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001317083608 867521395 /nfs/dbraw/zinc/52/13/95/867521395.db2.gz ZZJBYSXTEDYAHH-VIQHNZTISA-N 2 2 357.470 0.851 10 0 FCAELP CN(C(=O)NCC[C@@H]1CNC(=O)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001354256093 867570314 /nfs/dbraw/zinc/57/03/14/867570314.db2.gz MUQLAMKFDLGMRY-HOCLYGCPSA-N 2 2 351.495 0.323 10 0 FCAELP CN(C(=O)NCC[C@@H]1CNC(=O)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001354256093 867570333 /nfs/dbraw/zinc/57/03/33/867570333.db2.gz MUQLAMKFDLGMRY-HOCLYGCPSA-N 2 2 351.495 0.323 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nc(C3CCC3)no2)CC[N@@H+]1C ZINC001320233585 868117408 /nfs/dbraw/zinc/11/74/08/868117408.db2.gz RZVPDRMYEYMGFP-KWCYVHTRSA-N 2 2 351.451 0.244 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nc(C3CCC3)no2)CC[N@H+]1C ZINC001320233585 868117417 /nfs/dbraw/zinc/11/74/17/868117417.db2.gz RZVPDRMYEYMGFP-KWCYVHTRSA-N 2 2 351.451 0.244 10 0 FCAELP CC(C)[C@H]1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC001324871826 869699752 /nfs/dbraw/zinc/69/97/52/869699752.db2.gz VAWOCQILNLLJHB-INIZCTEOSA-N 2 2 352.523 0.975 10 0 FCAELP CC(C)[C@H]1CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC001324871826 869699758 /nfs/dbraw/zinc/69/97/58/869699758.db2.gz VAWOCQILNLLJHB-INIZCTEOSA-N 2 2 352.523 0.975 10 0 FCAELP COCCCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001325138394 869790723 /nfs/dbraw/zinc/79/07/23/869790723.db2.gz RKXWTWPAHCMRIM-IIDMSEBBSA-N 2 2 350.463 0.503 10 0 FCAELP COCCCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001325138394 869790733 /nfs/dbraw/zinc/79/07/33/869790733.db2.gz RKXWTWPAHCMRIM-IIDMSEBBSA-N 2 2 350.463 0.503 10 0 FCAELP CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccccc2CC[NH3+])CC1 ZINC001326579387 870391362 /nfs/dbraw/zinc/39/13/62/870391362.db2.gz YDODQIGJTKCDMA-UHFFFAOYSA-N 2 2 353.488 0.427 10 0 FCAELP C[C@H](NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001346607752 871931357 /nfs/dbraw/zinc/93/13/57/871931357.db2.gz WJFFDXAXLPKQMC-ULQDDVLXSA-N 2 2 355.527 0.373 10 0 FCAELP C[C@H](NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[C@@H]1CN(C)CC[N@H+]1C ZINC001346607752 871931366 /nfs/dbraw/zinc/93/13/66/871931366.db2.gz WJFFDXAXLPKQMC-ULQDDVLXSA-N 2 2 355.527 0.373 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2ncnn2C(C)C)CC[N@@H+]1C ZINC001331712919 873209721 /nfs/dbraw/zinc/20/97/21/873209721.db2.gz VYVYCNLUSJCGSX-QLFBSQMISA-N 2 2 352.483 0.156 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2ncnn2C(C)C)CC[N@H+]1C ZINC001331712919 873209733 /nfs/dbraw/zinc/20/97/33/873209733.db2.gz VYVYCNLUSJCGSX-QLFBSQMISA-N 2 2 352.483 0.156 10 0 FCAELP [NH3+]C1CC[NH+]([C@H]2CCN(S(=O)(=O)Cc3noc4c3CCCC4)C2)CC1 ZINC001332335393 873461357 /nfs/dbraw/zinc/46/13/57/873461357.db2.gz VRKPYFSTCDLTRE-AWEZNQCLSA-N 2 2 368.503 0.881 10 0 FCAELP CC(C)N(CC[N@H+](C)CCO)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001332719773 873628893 /nfs/dbraw/zinc/62/88/93/873628893.db2.gz BWZPAZLXFPKNKZ-SJORKVTESA-N 2 2 357.495 0.027 10 0 FCAELP CC(C)N(CC[N@@H+](C)CCO)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001332719773 873628901 /nfs/dbraw/zinc/62/89/01/873628901.db2.gz BWZPAZLXFPKNKZ-SJORKVTESA-N 2 2 357.495 0.027 10 0 FCAELP C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295455669 214297459 /nfs/dbraw/zinc/29/74/59/214297459.db2.gz PSYKGBGTQRSQER-UXHICEINSA-N 2 2 372.513 0.736 10 0 FCAELP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295455669 214297460 /nfs/dbraw/zinc/29/74/60/214297460.db2.gz PSYKGBGTQRSQER-UXHICEINSA-N 2 2 372.513 0.736 10 0 FCAELP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCOC[C@H](O)C3)CC2)cc1 ZINC000295513251 214301861 /nfs/dbraw/zinc/30/18/61/214301861.db2.gz HYPCBIBFIGDXCX-LJQANCHMSA-N 2 2 361.486 0.722 10 0 FCAELP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCOC[C@H](O)C3)CC2)cc1 ZINC000295513251 214301863 /nfs/dbraw/zinc/30/18/63/214301863.db2.gz HYPCBIBFIGDXCX-LJQANCHMSA-N 2 2 361.486 0.722 10 0 FCAELP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCOC[C@H](O)C3)CC2)cc1 ZINC000295513251 214301865 /nfs/dbraw/zinc/30/18/65/214301865.db2.gz HYPCBIBFIGDXCX-LJQANCHMSA-N 2 2 361.486 0.722 10 0 FCAELP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCOC[C@H](O)C3)CC2)cc1 ZINC000295513251 214301867 /nfs/dbraw/zinc/30/18/67/214301867.db2.gz HYPCBIBFIGDXCX-LJQANCHMSA-N 2 2 361.486 0.722 10 0 FCAELP C[NH+]1CCN(C(=O)Cc2noc([C@@H]3CCC[N@@H+]3C3CCOCC3)n2)CC1 ZINC000333218088 215250714 /nfs/dbraw/zinc/25/07/14/215250714.db2.gz RCNGPPBOBOIGAA-HNNXBMFYSA-N 2 2 363.462 0.702 10 0 FCAELP C[NH+]1CCN(C(=O)Cc2noc([C@@H]3CCC[N@H+]3C3CCOCC3)n2)CC1 ZINC000333218088 215250717 /nfs/dbraw/zinc/25/07/17/215250717.db2.gz RCNGPPBOBOIGAA-HNNXBMFYSA-N 2 2 363.462 0.702 10 0 FCAELP C[N@H+](CC(=O)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1)Cc1ccccc1 ZINC000333311613 215261749 /nfs/dbraw/zinc/26/17/49/215261749.db2.gz DYGIISZKIOPKGX-SFHVURJKSA-N 2 2 358.486 0.931 10 0 FCAELP C[N@@H+](CC(=O)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1)Cc1ccccc1 ZINC000333311613 215261754 /nfs/dbraw/zinc/26/17/54/215261754.db2.gz DYGIISZKIOPKGX-SFHVURJKSA-N 2 2 358.486 0.931 10 0 FCAELP CNc1cc(N2CCC[C@H]2CNC(=O)N2CC[NH2+]C[C@@](C)(F)C2)nc[nH+]1 ZINC000333400111 215275480 /nfs/dbraw/zinc/27/54/80/215275480.db2.gz PXKYALPJYIEHEA-SUMWQHHRSA-N 2 2 365.457 0.830 10 0 FCAELP CNc1cc(N2CCC[C@H]2CNC(=O)N2CC[NH2+]C[C@@](C)(F)C2)[nH+]cn1 ZINC000333400111 215275484 /nfs/dbraw/zinc/27/54/84/215275484.db2.gz PXKYALPJYIEHEA-SUMWQHHRSA-N 2 2 365.457 0.830 10 0 FCAELP CNc1cc(N2CCC[C@H]2CNC(=O)N2CC[NH2+]C[C@](C)(F)C2)nc[nH+]1 ZINC000333400110 215275498 /nfs/dbraw/zinc/27/54/98/215275498.db2.gz PXKYALPJYIEHEA-GUYCJALGSA-N 2 2 365.457 0.830 10 0 FCAELP CNc1cc(N2CCC[C@H]2CNC(=O)N2CC[NH2+]C[C@](C)(F)C2)[nH+]cn1 ZINC000333400110 215275500 /nfs/dbraw/zinc/27/55/00/215275500.db2.gz PXKYALPJYIEHEA-GUYCJALGSA-N 2 2 365.457 0.830 10 0 FCAELP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000333729655 215313778 /nfs/dbraw/zinc/31/37/78/215313778.db2.gz VWQURTMFJRICIL-IKGGRYGDSA-N 2 2 365.522 0.713 10 0 FCAELP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CC[C@@H]4OCC[NH+](C)[C@@H]4C3)cc2C1 ZINC000285111474 213285537 /nfs/dbraw/zinc/28/55/37/213285537.db2.gz HSEQGLRQKLHWDV-SJORKVTESA-N 2 2 358.442 0.502 10 0 FCAELP C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CC[C@@H]4OCC[NH+](C)[C@@H]4C3)cc2C1 ZINC000285111474 213285539 /nfs/dbraw/zinc/28/55/39/213285539.db2.gz HSEQGLRQKLHWDV-SJORKVTESA-N 2 2 358.442 0.502 10 0 FCAELP C[NH+]1Cc2ccc(NC(=O)C(=O)N3CC[C@@H]4OCC[N@H+](C)[C@@H]4C3)cc2C1 ZINC000285111474 213285544 /nfs/dbraw/zinc/28/55/44/213285544.db2.gz HSEQGLRQKLHWDV-SJORKVTESA-N 2 2 358.442 0.502 10 0 FCAELP C[NH+]1Cc2ccc(NC(=O)C(=O)N3CC[C@@H]4OCC[N@@H+](C)[C@@H]4C3)cc2C1 ZINC000285111474 213285545 /nfs/dbraw/zinc/28/55/45/213285545.db2.gz HSEQGLRQKLHWDV-SJORKVTESA-N 2 2 358.442 0.502 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1)[N@H+](C)C1CC1 ZINC000284842484 213231938 /nfs/dbraw/zinc/23/19/38/213231938.db2.gz JIPMNGWCYWGUHC-ZDUSSCGKSA-N 2 2 356.430 0.482 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1)[N@@H+](C)C1CC1 ZINC000284842484 213231941 /nfs/dbraw/zinc/23/19/41/213231941.db2.gz JIPMNGWCYWGUHC-ZDUSSCGKSA-N 2 2 356.430 0.482 10 0 FCAELP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1)c1cccs1 ZINC000284624191 213182886 /nfs/dbraw/zinc/18/28/86/213182886.db2.gz YREVYDSVJINATK-AWEZNQCLSA-N 2 2 350.488 0.774 10 0 FCAELP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000284352954 213118432 /nfs/dbraw/zinc/11/84/32/213118432.db2.gz YQLJPQLSNGMRGY-UHFFFAOYSA-N 2 2 351.451 0.200 10 0 FCAELP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000284352954 213118436 /nfs/dbraw/zinc/11/84/36/213118436.db2.gz YQLJPQLSNGMRGY-UHFFFAOYSA-N 2 2 351.451 0.200 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000284139014 213082959 /nfs/dbraw/zinc/08/29/59/213082959.db2.gz VEPYKNQZRNJBEP-KBAYOESNSA-N 2 2 374.485 0.385 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000284139014 213082960 /nfs/dbraw/zinc/08/29/60/213082960.db2.gz VEPYKNQZRNJBEP-KBAYOESNSA-N 2 2 374.485 0.385 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC3(CO)Cc4ccccc4C3)C2)CC1 ZINC000366656616 216013194 /nfs/dbraw/zinc/01/31/94/216013194.db2.gz SVJHSYGYCIYNGR-SFHVURJKSA-N 2 2 372.513 0.984 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC3(CO)Cc4ccccc4C3)C2)CC1 ZINC000366656616 216013196 /nfs/dbraw/zinc/01/31/96/216013196.db2.gz SVJHSYGYCIYNGR-SFHVURJKSA-N 2 2 372.513 0.984 10 0 FCAELP O=C(NC[C@@H](O)C[NH+]1CCOCC1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000245628783 209371755 /nfs/dbraw/zinc/37/17/55/209371755.db2.gz PNSLRVBUZVFNCT-RTBURBONSA-N 2 2 361.486 0.850 10 0 FCAELP O=C(NC[C@@H](O)C[NH+]1CCOCC1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000245628783 209371756 /nfs/dbraw/zinc/37/17/56/209371756.db2.gz PNSLRVBUZVFNCT-RTBURBONSA-N 2 2 361.486 0.850 10 0 FCAELP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000246168727 209381210 /nfs/dbraw/zinc/38/12/10/209381210.db2.gz RLWRMFDHKOTYGV-NPYXIHBLSA-N 2 2 354.495 0.336 10 0 FCAELP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000246168727 209381213 /nfs/dbraw/zinc/38/12/13/209381213.db2.gz RLWRMFDHKOTYGV-NPYXIHBLSA-N 2 2 354.495 0.336 10 0 FCAELP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245895501 209376041 /nfs/dbraw/zinc/37/60/41/209376041.db2.gz PEWZOIYKDKGWEH-GJZGRUSLSA-N 2 2 361.490 0.800 10 0 FCAELP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245895501 209376043 /nfs/dbraw/zinc/37/60/43/209376043.db2.gz PEWZOIYKDKGWEH-GJZGRUSLSA-N 2 2 361.490 0.800 10 0 FCAELP C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000245627594 209372732 /nfs/dbraw/zinc/37/27/32/209372732.db2.gz PFNCBOLTYKIVAZ-FSGLHJGXSA-N 2 2 364.534 0.913 10 0 FCAELP C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000245627594 209372737 /nfs/dbraw/zinc/37/27/37/209372737.db2.gz PFNCBOLTYKIVAZ-FSGLHJGXSA-N 2 2 364.534 0.913 10 0 FCAELP C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000245627594 209372740 /nfs/dbraw/zinc/37/27/40/209372740.db2.gz PFNCBOLTYKIVAZ-FSGLHJGXSA-N 2 2 364.534 0.913 10 0 FCAELP C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000245627594 209372742 /nfs/dbraw/zinc/37/27/42/209372742.db2.gz PFNCBOLTYKIVAZ-FSGLHJGXSA-N 2 2 364.534 0.913 10 0 FCAELP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000237305107 209350280 /nfs/dbraw/zinc/35/02/80/209350280.db2.gz SUDNTJJJEYRUDF-BPUTZDHNSA-N 2 2 357.520 0.532 10 0 FCAELP CCN(CC)C(=O)C[N@@H+]1CCCN(S(=O)(=O)CC[NH+]2CCCC2)CC1 ZINC000195347617 209336423 /nfs/dbraw/zinc/33/64/23/209336423.db2.gz NKMJAWVKBUPZPQ-UHFFFAOYSA-N 2 2 374.551 0.288 10 0 FCAELP CCN(CC)C(=O)C[N@H+]1CCCN(S(=O)(=O)CC[NH+]2CCCC2)CC1 ZINC000195347617 209336425 /nfs/dbraw/zinc/33/64/25/209336425.db2.gz NKMJAWVKBUPZPQ-UHFFFAOYSA-N 2 2 374.551 0.288 10 0 FCAELP COC(=O)CNC(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195252143 209335631 /nfs/dbraw/zinc/33/56/31/209335631.db2.gz QOIYFIVLLQMTKK-AWEZNQCLSA-N 2 2 368.503 0.885 10 0 FCAELP COC(=O)CNC(=O)CC[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195252143 209335635 /nfs/dbraw/zinc/33/56/35/209335635.db2.gz QOIYFIVLLQMTKK-AWEZNQCLSA-N 2 2 368.503 0.885 10 0 FCAELP COC(=O)CNC(=O)CC[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195252143 209335637 /nfs/dbraw/zinc/33/56/37/209335637.db2.gz QOIYFIVLLQMTKK-AWEZNQCLSA-N 2 2 368.503 0.885 10 0 FCAELP COC(=O)CNC(=O)CC[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195252143 209335643 /nfs/dbraw/zinc/33/56/43/209335643.db2.gz QOIYFIVLLQMTKK-AWEZNQCLSA-N 2 2 368.503 0.885 10 0 FCAELP CNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000368827979 216301067 /nfs/dbraw/zinc/30/10/67/216301067.db2.gz CEUKNFVABSUQSD-UHFFFAOYSA-N 2 2 355.442 0.825 10 0 FCAELP CNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000368827979 216301070 /nfs/dbraw/zinc/30/10/70/216301070.db2.gz CEUKNFVABSUQSD-UHFFFAOYSA-N 2 2 355.442 0.825 10 0 FCAELP C[C@@H](C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)[NH+]1CCN(C)CC1 ZINC000369108317 216349454 /nfs/dbraw/zinc/34/94/54/216349454.db2.gz CBKXGZHATJKOLX-ROUUACIJSA-N 2 2 351.539 0.251 10 0 FCAELP C[C@@H](C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)[NH+]1CCN(C)CC1 ZINC000369108317 216349457 /nfs/dbraw/zinc/34/94/57/216349457.db2.gz CBKXGZHATJKOLX-ROUUACIJSA-N 2 2 351.539 0.251 10 0 FCAELP C[N@@H+]1C[C@@]2(C)CN(CC(=O)NCC(C)(C)[NH+]3CCOCC3)C[C@@]2(C)C1 ZINC000931305069 674108388 /nfs/dbraw/zinc/10/83/88/674108388.db2.gz UIJYVBCCLRFKHW-KDURUIRLSA-N 2 2 352.523 0.487 10 0 FCAELP C[N@H+]1C[C@@]2(C)CN(CC(=O)NCC(C)(C)[NH+]3CCOCC3)C[C@@]2(C)C1 ZINC000931305069 674108391 /nfs/dbraw/zinc/10/83/91/674108391.db2.gz UIJYVBCCLRFKHW-KDURUIRLSA-N 2 2 352.523 0.487 10 0 FCAELP O=C(CCC(=O)N1CC[NH+]2CCC1CC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000188856803 209240448 /nfs/dbraw/zinc/24/04/48/209240448.db2.gz NLFAFYLSTLSSMA-UHFFFAOYSA-N 2 2 371.485 0.817 10 0 FCAELP C[C@H]1CN(c2ccc(CNC(=O)c3[nH]nc4c3C[NH2+]CC4)c[nH+]2)C[C@H](C)O1 ZINC000188715022 209236404 /nfs/dbraw/zinc/23/64/04/209236404.db2.gz XORIPOMGEDIGPG-STQMWFEESA-N 2 2 370.457 0.994 10 0 FCAELP Cc1cc(N2CCN(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)CC2)n[nH]1 ZINC000187342102 209210271 /nfs/dbraw/zinc/21/02/71/209210271.db2.gz QZHRSAVJVOFQCE-UHFFFAOYSA-N 2 2 363.510 0.576 10 0 FCAELP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186530972 209192470 /nfs/dbraw/zinc/19/24/70/209192470.db2.gz GCRYGXXAULCGBM-KRWDZBQOSA-N 2 2 360.506 0.939 10 0 FCAELP C[C@@]1(C(N)=O)CCCC[NH+]1CC1(C[N@H+]2CCCC[C@@]2(C)C(N)=O)COC1 ZINC000185942144 209182696 /nfs/dbraw/zinc/18/26/96/209182696.db2.gz SJWFYQDMXHRDHM-ROUUACIJSA-N 2 2 366.506 0.463 10 0 FCAELP C[C@@]1(C(N)=O)CCCC[NH+]1CC1(C[N@@H+]2CCCC[C@@]2(C)C(N)=O)COC1 ZINC000185942144 209182699 /nfs/dbraw/zinc/18/26/99/209182699.db2.gz SJWFYQDMXHRDHM-ROUUACIJSA-N 2 2 366.506 0.463 10 0 FCAELP C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000415027667 245341133 /nfs/dbraw/zinc/34/11/33/245341133.db2.gz XATSQZFJXDTYFK-OLZOCXBDSA-N 2 2 369.491 0.480 10 0 FCAELP [NH3+]Cc1ccc(NC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000415127253 245348561 /nfs/dbraw/zinc/34/85/61/245348561.db2.gz QQCHKWQJFQYQMW-QGZVFWFLSA-N 2 2 360.458 0.797 10 0 FCAELP [NH3+]Cc1ccc(NC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000415127252 245351047 /nfs/dbraw/zinc/35/10/47/245351047.db2.gz QQCHKWQJFQYQMW-KRWDZBQOSA-N 2 2 360.458 0.797 10 0 FCAELP C[C@@H]1C[NH+](Cc2cccc(NC(=O)C(=O)N3CC[NH2+]CC3)c2)C[C@@H](C)O1 ZINC000415284632 245375634 /nfs/dbraw/zinc/37/56/34/245375634.db2.gz PVFTVGPFPSDTCY-HUUCEWRRSA-N 2 2 360.458 0.666 10 0 FCAELP CCN(CCOCCO)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000374356309 217121619 /nfs/dbraw/zinc/12/16/19/217121619.db2.gz SQIMIXOFKRZVRT-UHFFFAOYSA-N 2 2 370.538 0.977 10 0 FCAELP CC(C)Nc1nc(N2CCC(C[NH+]3CCCC3)CC2)nc(NCCO)[nH+]1 ZINC000376082323 217354481 /nfs/dbraw/zinc/35/44/81/217354481.db2.gz RZVKKDRHZPJORC-UHFFFAOYSA-N 2 2 363.510 0.252 10 0 FCAELP CC(C)Nc1nc(NCCO)[nH+]c(N2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000376082323 217354488 /nfs/dbraw/zinc/35/44/88/217354488.db2.gz RZVKKDRHZPJORC-UHFFFAOYSA-N 2 2 363.510 0.252 10 0 FCAELP CC(C)Nc1nc(NCCO)nc(N2CCC(C[NH+]3CCCC3)CC2)[nH+]1 ZINC000376082323 217354491 /nfs/dbraw/zinc/35/44/91/217354491.db2.gz RZVKKDRHZPJORC-UHFFFAOYSA-N 2 2 363.510 0.252 10 0 FCAELP O=C(NCCCN1CC[NH2+]CC1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000418289704 245772348 /nfs/dbraw/zinc/77/23/48/245772348.db2.gz PCUSZNTUJALTGE-KRWDZBQOSA-N 2 2 353.511 0.178 10 0 FCAELP C[C@]1(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCCC[NH2+]1 ZINC000180997774 209107351 /nfs/dbraw/zinc/10/73/51/209107351.db2.gz MBLDSHQFSJSZRJ-LJQANCHMSA-N 2 2 359.474 0.769 10 0 FCAELP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCn1cc[nH+]c1C ZINC000419298887 246090857 /nfs/dbraw/zinc/09/08/57/246090857.db2.gz IXRGGMNLLGZDLB-MRXNPFEDSA-N 2 2 371.441 0.489 10 0 FCAELP [NH3+]C1(CNC(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CCCCC1 ZINC000419649285 246229329 /nfs/dbraw/zinc/22/93/29/246229329.db2.gz NCCAVKRJWTYOSB-UHFFFAOYSA-N 2 2 359.474 0.944 10 0 FCAELP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000419650350 246230986 /nfs/dbraw/zinc/23/09/86/246230986.db2.gz UYEDNTUCXNDTEQ-UHFFFAOYSA-N 2 2 357.458 0.991 10 0 FCAELP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000419677950 246243997 /nfs/dbraw/zinc/24/39/97/246243997.db2.gz DGOYQALPUFMHQL-GDBMZVCRSA-N 2 2 371.441 0.570 10 0 FCAELP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)C(=O)N1CC[NH2+]CC1 ZINC000419707396 246262093 /nfs/dbraw/zinc/26/20/93/246262093.db2.gz FHJLITMTDCYPHA-UHFFFAOYSA-N 2 2 350.850 0.246 10 0 FCAELP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)C(=O)N1CC[NH2+]CC1 ZINC000419707396 246262098 /nfs/dbraw/zinc/26/20/98/246262098.db2.gz FHJLITMTDCYPHA-UHFFFAOYSA-N 2 2 350.850 0.246 10 0 FCAELP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419710137 246263016 /nfs/dbraw/zinc/26/30/16/246263016.db2.gz LCXPVOSHXDOLML-AWEZNQCLSA-N 2 2 364.877 0.683 10 0 FCAELP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419710137 246263019 /nfs/dbraw/zinc/26/30/19/246263019.db2.gz LCXPVOSHXDOLML-AWEZNQCLSA-N 2 2 364.877 0.683 10 0 FCAELP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCCCCC1 ZINC000419733025 246275411 /nfs/dbraw/zinc/27/54/11/246275411.db2.gz UEAUARFATHPNRB-HNNXBMFYSA-N 2 2 359.474 0.944 10 0 FCAELP CCOc1ccccc1C[N@@H+]1CCN(C(=O)C(=O)NCCC[NH3+])[C@H](C)C1 ZINC000419832422 246309248 /nfs/dbraw/zinc/30/92/48/246309248.db2.gz JILXOVOQZXWNJE-OAHLLOKOSA-N 2 2 362.474 0.583 10 0 FCAELP CCOc1ccccc1C[N@H+]1CCN(C(=O)C(=O)NCCC[NH3+])[C@H](C)C1 ZINC000419832422 246309251 /nfs/dbraw/zinc/30/92/51/246309251.db2.gz JILXOVOQZXWNJE-OAHLLOKOSA-N 2 2 362.474 0.583 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000419900974 246359955 /nfs/dbraw/zinc/35/99/55/246359955.db2.gz SUUPYXBEKKDCQU-JKSUJKDBSA-N 2 2 359.474 0.543 10 0 FCAELP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC2)s1 ZINC000419995829 246406673 /nfs/dbraw/zinc/40/66/73/246406673.db2.gz NWRCTXJYIFINQK-ZDUSSCGKSA-N 2 2 352.504 0.808 10 0 FCAELP CCOC1CC(CNC(=O)CN2CC[NH+](CC)CC2)([NH+]2CCOCC2)C1 ZINC000444580680 248365364 /nfs/dbraw/zinc/36/53/64/248365364.db2.gz UJLROCMNDCSHQY-UHFFFAOYSA-N 2 2 368.522 0.010 10 0 FCAELP C[C@H](CNC(=O)NCc1cccnc1-n1cc[nH+]c1)C[NH+]1CCN(C)CC1 ZINC000073633293 208048438 /nfs/dbraw/zinc/04/84/38/208048438.db2.gz GIGCWCKJSUUZBP-MRXNPFEDSA-N 2 2 371.489 0.950 10 0 FCAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@H](C)C1 ZINC000081095771 208095943 /nfs/dbraw/zinc/09/59/43/208095943.db2.gz MCQUIBDGIUPIMN-CZUORRHYSA-N 2 2 368.503 0.935 10 0 FCAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@H](C)C1 ZINC000081095771 208095949 /nfs/dbraw/zinc/09/59/49/208095949.db2.gz MCQUIBDGIUPIMN-CZUORRHYSA-N 2 2 368.503 0.935 10 0 FCAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@H](C)C1 ZINC000081095771 208095957 /nfs/dbraw/zinc/09/59/57/208095957.db2.gz MCQUIBDGIUPIMN-CZUORRHYSA-N 2 2 368.503 0.935 10 0 FCAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@H](C)C1 ZINC000081095771 208095962 /nfs/dbraw/zinc/09/59/62/208095962.db2.gz MCQUIBDGIUPIMN-CZUORRHYSA-N 2 2 368.503 0.935 10 0 FCAELP C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000104778176 208186769 /nfs/dbraw/zinc/18/67/69/208186769.db2.gz KHVOGMGTWGAOGV-SFHVURJKSA-N 2 2 362.474 0.649 10 0 FCAELP C[N@H+]1CCO[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000104778176 208186773 /nfs/dbraw/zinc/18/67/73/208186773.db2.gz KHVOGMGTWGAOGV-SFHVURJKSA-N 2 2 362.474 0.649 10 0 FCAELP C[C@@H]1C[NH+](CC2CCN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)CC2)C[C@@H](C)O1 ZINC000104798056 208187633 /nfs/dbraw/zinc/18/76/33/208187633.db2.gz HPQWMVWCEDGMFL-JFIYKMOQSA-N 2 2 368.522 0.848 10 0 FCAELP C[C@@H]1C[NH+](CC2CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)CC2)C[C@@H](C)O1 ZINC000104798056 208187637 /nfs/dbraw/zinc/18/76/37/208187637.db2.gz HPQWMVWCEDGMFL-JFIYKMOQSA-N 2 2 368.522 0.848 10 0 FCAELP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000105137501 208191972 /nfs/dbraw/zinc/19/19/72/208191972.db2.gz FKSVRDJCRKQITK-KRWDZBQOSA-N 2 2 365.522 0.857 10 0 FCAELP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000105137501 208191979 /nfs/dbraw/zinc/19/19/79/208191979.db2.gz FKSVRDJCRKQITK-KRWDZBQOSA-N 2 2 365.522 0.857 10 0 FCAELP C[NH+](C)C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)CCO1 ZINC000107304942 208240440 /nfs/dbraw/zinc/24/04/40/208240440.db2.gz OHFOXRMFYKJKHL-QGZVFWFLSA-N 2 2 350.463 0.186 10 0 FCAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000111230768 208276317 /nfs/dbraw/zinc/27/63/17/208276317.db2.gz LPMJMQMOUYJGRT-OAHLLOKOSA-N 2 2 351.495 0.419 10 0 FCAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000111230768 208276324 /nfs/dbraw/zinc/27/63/24/208276324.db2.gz LPMJMQMOUYJGRT-OAHLLOKOSA-N 2 2 351.495 0.419 10 0 FCAELP C[C@@H](C(=O)Nc1ncccn1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000111241391 208280147 /nfs/dbraw/zinc/28/01/47/208280147.db2.gz UJDSTOPIZDOGNP-HNNXBMFYSA-N 2 2 374.489 0.680 10 0 FCAELP CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109751463 208259794 /nfs/dbraw/zinc/25/97/94/208259794.db2.gz YRCGLFSNSNCDLD-DLBZAZTESA-N 2 2 367.538 0.959 10 0 FCAELP CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000109751463 208259800 /nfs/dbraw/zinc/25/98/00/208259800.db2.gz YRCGLFSNSNCDLD-DLBZAZTESA-N 2 2 367.538 0.959 10 0 FCAELP COCCCNC(=O)[C@@H](C)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000111241656 208280707 /nfs/dbraw/zinc/28/07/07/208280707.db2.gz VFZAYPDDSSKKOS-MRXNPFEDSA-N 2 2 368.522 0.404 10 0 FCAELP Cn1cc(N2CC[C@@H]([N@H+](C)C3CC[NH+](CCn4cccn4)CC3)C2=O)cn1 ZINC000111690461 208286033 /nfs/dbraw/zinc/28/60/33/208286033.db2.gz SHURCYXJXLJHKB-GOSISDBHSA-N 2 2 371.489 0.818 10 0 FCAELP Cn1cc(N2CC[C@@H]([N@@H+](C)C3CC[NH+](CCn4cccn4)CC3)C2=O)cn1 ZINC000111690461 208286040 /nfs/dbraw/zinc/28/60/40/208286040.db2.gz SHURCYXJXLJHKB-GOSISDBHSA-N 2 2 371.489 0.818 10 0 FCAELP COCC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000117522882 208345195 /nfs/dbraw/zinc/34/51/95/208345195.db2.gz PBQMDZPRUOHGAE-HNNXBMFYSA-N 2 2 371.441 0.990 10 0 FCAELP COCC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000117522882 208345198 /nfs/dbraw/zinc/34/51/98/208345198.db2.gz PBQMDZPRUOHGAE-HNNXBMFYSA-N 2 2 371.441 0.990 10 0 FCAELP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)NCCn3cc[nH+]c3)CC2)C1 ZINC000117467824 208345275 /nfs/dbraw/zinc/34/52/75/208345275.db2.gz VQIGEMYQGZOOTQ-KRWDZBQOSA-N 2 2 364.494 0.320 10 0 FCAELP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)NCCn3cc[nH+]c3)CC2)C1 ZINC000117467824 208345277 /nfs/dbraw/zinc/34/52/77/208345277.db2.gz VQIGEMYQGZOOTQ-KRWDZBQOSA-N 2 2 364.494 0.320 10 0 FCAELP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H](C)CS(C)(=O)=O)CC2)CC1 ZINC000119070756 208353225 /nfs/dbraw/zinc/35/32/25/208353225.db2.gz SLVUFKAHNWUMPJ-MRXNPFEDSA-N 2 2 373.563 0.933 10 0 FCAELP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NC[C@H]3C[NH+](C)CCO3)c2C1 ZINC000118115139 208349684 /nfs/dbraw/zinc/34/96/84/208349684.db2.gz UDTRJRQPTSWNQI-HNNXBMFYSA-N 2 2 360.458 0.798 10 0 FCAELP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NC[C@H]3C[NH+](C)CCO3)c2C1 ZINC000118115139 208349686 /nfs/dbraw/zinc/34/96/86/208349686.db2.gz UDTRJRQPTSWNQI-HNNXBMFYSA-N 2 2 360.458 0.798 10 0 FCAELP CCC[NH+]1Cc2cccc(NC(=O)C(=O)NC[C@H]3C[N@H+](C)CCO3)c2C1 ZINC000118115139 208349689 /nfs/dbraw/zinc/34/96/89/208349689.db2.gz UDTRJRQPTSWNQI-HNNXBMFYSA-N 2 2 360.458 0.798 10 0 FCAELP CCC[NH+]1Cc2cccc(NC(=O)C(=O)NC[C@H]3C[N@@H+](C)CCO3)c2C1 ZINC000118115139 208349692 /nfs/dbraw/zinc/34/96/92/208349692.db2.gz UDTRJRQPTSWNQI-HNNXBMFYSA-N 2 2 360.458 0.798 10 0 FCAELP CC(=O)N1CSC[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172749123 208915804 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ZINC000105124505 488508176 /nfs/dbraw/zinc/50/81/76/488508176.db2.gz VPOLUCJATRBIQI-INIZCTEOSA-N 2 2 355.527 0.375 10 0 FCAELP C[C@@H](CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000105124505 488508180 /nfs/dbraw/zinc/50/81/80/488508180.db2.gz VPOLUCJATRBIQI-INIZCTEOSA-N 3 2 355.527 0.375 10 0 FCAELP C[C@@H](CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000105124505 488508181 /nfs/dbraw/zinc/50/81/81/488508181.db2.gz VPOLUCJATRBIQI-INIZCTEOSA-N 3 2 355.527 0.375 10 0 FCAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CC(=O)N(C)CC3CC3)CC2)C1 ZINC000106120942 488511904 /nfs/dbraw/zinc/51/19/04/488511904.db2.gz BBOUBHCAPNNBQC-GOSISDBHSA-N 2 2 352.523 0.582 10 0 FCAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CC(=O)N(C)CC3CC3)CC2)C1 ZINC000106120942 488511906 /nfs/dbraw/zinc/51/19/06/488511906.db2.gz BBOUBHCAPNNBQC-GOSISDBHSA-N 2 2 352.523 0.582 10 0 FCAELP Cn1cc(N2CC[C@@H]([N@@H+]3CCCC[C@@H](N4CC[NH+](C)CC4)C3)C2=O)cn1 ZINC000252774819 488519156 /nfs/dbraw/zinc/51/91/56/488519156.db2.gz UPKHVDDXPNYRNS-SJLPKXTDSA-N 2 2 360.506 0.627 10 0 FCAELP Cn1cc(N2CC[C@@H]([N@H+]3CCCC[C@@H](N4CC[NH+](C)CC4)C3)C2=O)cn1 ZINC000252774819 488519158 /nfs/dbraw/zinc/51/91/58/488519158.db2.gz UPKHVDDXPNYRNS-SJLPKXTDSA-N 2 2 360.506 0.627 10 0 FCAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCn2nc3ccccn3c2=O)CC1 ZINC000109755311 488523966 /nfs/dbraw/zinc/52/39/66/488523966.db2.gz SCEIWOPIFUDURE-KRWDZBQOSA-N 2 2 358.490 0.598 10 0 FCAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCn2nc3ccccn3c2=O)CC1 ZINC000109755311 488523969 /nfs/dbraw/zinc/52/39/69/488523969.db2.gz SCEIWOPIFUDURE-KRWDZBQOSA-N 2 2 358.490 0.598 10 0 FCAELP C[NH+]1CCN(c2cc(C(=O)N3CC[NH+](CC(C)(C)O)CC3)ccn2)CC1 ZINC000112294527 488534116 /nfs/dbraw/zinc/53/41/16/488534116.db2.gz BMNCPXPBVOQCFA-UHFFFAOYSA-N 2 2 361.490 0.362 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)NCCN3CCC([NH+](C)C)CC3)ccc2[nH+]1 ZINC000271680349 488537839 /nfs/dbraw/zinc/53/78/39/488537839.db2.gz RQFYRCBDRGFONB-UHFFFAOYSA-N 2 2 372.473 0.723 10 0 FCAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000119267602 488556321 /nfs/dbraw/zinc/55/63/21/488556321.db2.gz RBPSWVQAHONHEW-QGZVFWFLSA-N 2 2 355.504 0.480 10 0 FCAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000119267602 488556323 /nfs/dbraw/zinc/55/63/23/488556323.db2.gz RBPSWVQAHONHEW-QGZVFWFLSA-N 2 2 355.504 0.480 10 0 FCAELP C[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@H]1O)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000262243637 488559405 /nfs/dbraw/zinc/55/94/05/488559405.db2.gz LBTWXXKCWSICSA-JKIFEVAISA-N 2 2 350.438 0.033 10 0 FCAELP CC(C)NC(=O)CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000121414325 488567749 /nfs/dbraw/zinc/56/77/49/488567749.db2.gz OGNAQXDHELPANR-XYPWUTKMSA-N 2 2 351.495 0.463 10 0 FCAELP CC(C)NC(=O)CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000121414325 488567751 /nfs/dbraw/zinc/56/77/51/488567751.db2.gz OGNAQXDHELPANR-XYPWUTKMSA-N 2 2 351.495 0.463 10 0 FCAELP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000272365612 488576017 /nfs/dbraw/zinc/57/60/17/488576017.db2.gz SYDYMXVPLBZQNP-AWEZNQCLSA-N 2 2 357.414 0.977 10 0 FCAELP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262690753 488586504 /nfs/dbraw/zinc/58/65/04/488586504.db2.gz AGFZAELHFXLYIB-MRXNPFEDSA-N 2 2 352.429 0.918 10 0 FCAELP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@H]3CC(F)(F)C[NH2+]3)cc2)CC1 ZINC000262954844 488600573 /nfs/dbraw/zinc/60/05/73/488600573.db2.gz KDKJUPUZMZCBLG-OAHLLOKOSA-N 2 2 366.412 0.688 10 0 FCAELP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263131089 488604917 /nfs/dbraw/zinc/60/49/17/488604917.db2.gz BSNRISVYWVORIR-ZIAGYGMSSA-N 2 2 353.417 0.706 10 0 FCAELP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000126600657 488610483 /nfs/dbraw/zinc/61/04/83/488610483.db2.gz HAYMWFMEWIAVAS-INIZCTEOSA-N 2 2 353.511 0.666 10 0 FCAELP C[N@H+](C[C@@H](O)COC1CCOCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000127506265 488617297 /nfs/dbraw/zinc/61/72/97/488617297.db2.gz WBRJNNKJJKTOPI-GOSISDBHSA-N 2 2 366.506 0.836 10 0 FCAELP C[N@@H+](C[C@@H](O)COC1CCOCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000127506265 488617299 /nfs/dbraw/zinc/61/72/99/488617299.db2.gz WBRJNNKJJKTOPI-GOSISDBHSA-N 2 2 366.506 0.836 10 0 FCAELP CC(=O)N[C@@H]1CCCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000127498687 488617587 /nfs/dbraw/zinc/61/75/87/488617587.db2.gz OHAVEYZUXOQUHV-QGZVFWFLSA-N 2 2 365.522 0.855 10 0 FCAELP C[N@@H+]1CCC[C@H]1CNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000130688439 488639639 /nfs/dbraw/zinc/63/96/39/488639639.db2.gz BPLOWWXIGWIFKV-INIZCTEOSA-N 2 2 359.474 0.721 10 0 FCAELP C[N@H+]1CCC[C@H]1CNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000130688439 488639642 /nfs/dbraw/zinc/63/96/42/488639642.db2.gz BPLOWWXIGWIFKV-INIZCTEOSA-N 2 2 359.474 0.721 10 0 FCAELP C[C@@H]1CN(C(=O)C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)C[C@@H](C)O1 ZINC000136066341 488675985 /nfs/dbraw/zinc/67/59/85/488675985.db2.gz ROWCPTUZUNYJFY-KURKYZTESA-N 2 2 352.523 0.724 10 0 FCAELP C[C@@H]1CN(C(=O)C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)C[C@@H](C)O1 ZINC000136066341 488675988 /nfs/dbraw/zinc/67/59/88/488675988.db2.gz ROWCPTUZUNYJFY-KURKYZTESA-N 2 2 352.523 0.724 10 0 FCAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000152436798 488717745 /nfs/dbraw/zinc/71/77/45/488717745.db2.gz LSKULPMWUQBISZ-SJORKVTESA-N 2 2 356.511 0.441 10 0 FCAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000152436798 488717746 /nfs/dbraw/zinc/71/77/46/488717746.db2.gz LSKULPMWUQBISZ-SJORKVTESA-N 2 2 356.511 0.441 10 0 FCAELP C[NH+](C)C[C@H]1CN(CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000155359739 488754509 /nfs/dbraw/zinc/75/45/09/488754509.db2.gz APRXADMXWBSJMG-KRWDZBQOSA-N 2 2 361.490 0.383 10 0 FCAELP Cc1ccc(NC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1S(N)(=O)=O ZINC000157182794 488769836 /nfs/dbraw/zinc/76/98/36/488769836.db2.gz SJQDSDURGORSJN-HIFRSBDPSA-N 2 2 368.503 0.995 10 0 FCAELP Cc1ccc(NC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1S(N)(=O)=O ZINC000157182794 488769838 /nfs/dbraw/zinc/76/98/38/488769838.db2.gz SJQDSDURGORSJN-HIFRSBDPSA-N 2 2 368.503 0.995 10 0 FCAELP Cc1ccc(NC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1S(N)(=O)=O ZINC000157182794 488769840 /nfs/dbraw/zinc/76/98/40/488769840.db2.gz SJQDSDURGORSJN-HIFRSBDPSA-N 2 2 368.503 0.995 10 0 FCAELP Cc1ccc(NC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1S(N)(=O)=O ZINC000157182794 488769841 /nfs/dbraw/zinc/76/98/41/488769841.db2.gz SJQDSDURGORSJN-HIFRSBDPSA-N 2 2 368.503 0.995 10 0 FCAELP NC(=O)COc1ccc(CNC(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000563149970 491222175 /nfs/dbraw/zinc/22/21/75/491222175.db2.gz QHCNPIAYRSMVRW-IBGZPJMESA-N 2 2 360.458 0.242 10 0 FCAELP NC(=O)COc1ccc(CNC(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000563149970 491222178 /nfs/dbraw/zinc/22/21/78/491222178.db2.gz QHCNPIAYRSMVRW-IBGZPJMESA-N 2 2 360.458 0.242 10 0 FCAELP Cn1ncc2c1nc(NCc1cccc(C(=O)NCC[NH+](C)C)c1)[nH+]c2N ZINC000278144239 488802950 /nfs/dbraw/zinc/80/29/50/488802950.db2.gz AXRHNYBRVRMJMI-UHFFFAOYSA-N 2 2 368.445 0.849 10 0 FCAELP CN(C)c1nc(N2CCN(C(=O)C[N@H+](C)[C@@H]3CCSC3)CC2)cc[nH+]1 ZINC000163015645 488806362 /nfs/dbraw/zinc/80/63/62/488806362.db2.gz QDTNJXUAKBSUAA-CQSZACIVSA-N 2 2 364.519 0.629 10 0 FCAELP CN(C)c1nc(N2CCN(C(=O)C[N@@H+](C)[C@@H]3CCSC3)CC2)cc[nH+]1 ZINC000163015645 488806363 /nfs/dbraw/zinc/80/63/63/488806363.db2.gz QDTNJXUAKBSUAA-CQSZACIVSA-N 2 2 364.519 0.629 10 0 FCAELP CCn1c(N)c(C(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(=O)[nH]c1=O ZINC000170645404 488814742 /nfs/dbraw/zinc/81/47/42/488814742.db2.gz SNIXGMBXVJUQCP-GFCCVEGCSA-N 2 2 372.429 0.150 10 0 FCAELP CCn1c(N)c(C(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(=O)[nH]c1=O ZINC000170645404 488814743 /nfs/dbraw/zinc/81/47/43/488814743.db2.gz SNIXGMBXVJUQCP-GFCCVEGCSA-N 2 2 372.429 0.150 10 0 FCAELP C[C@@H](C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000171814246 488827189 /nfs/dbraw/zinc/82/71/89/488827189.db2.gz TXBMHWNDKMNRRX-HKUYNNGSSA-N 2 2 360.502 0.500 10 0 FCAELP C[C@H](O)C[NH+]1CCC(CN(C)c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000171986660 488829671 /nfs/dbraw/zinc/82/96/71/488829671.db2.gz AMPAJJIAPKWGBK-DOTOQJQBSA-N 2 2 363.506 0.967 10 0 FCAELP C[C@H](O)C[NH+]1CCC(CN(C)c2cc(N3CCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000171986660 488829673 /nfs/dbraw/zinc/82/96/73/488829673.db2.gz AMPAJJIAPKWGBK-DOTOQJQBSA-N 2 2 363.506 0.967 10 0 FCAELP COCC[N@@H+]1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)C[C@H]1C ZINC000172227166 488831579 /nfs/dbraw/zinc/83/15/79/488831579.db2.gz PZBHYZYDLMMMFM-MRXNPFEDSA-N 2 2 363.506 0.811 10 0 FCAELP COCC[N@H+]1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)C[C@H]1C ZINC000172227166 488831581 /nfs/dbraw/zinc/83/15/81/488831581.db2.gz PZBHYZYDLMMMFM-MRXNPFEDSA-N 2 2 363.506 0.811 10 0 FCAELP C[C@@H](O)C[N@@H+]1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)C[C@H]1C ZINC000174317031 488848702 /nfs/dbraw/zinc/84/87/02/488848702.db2.gz WYALTTMFIVLSBK-HZPDHXFCSA-N 2 2 363.506 0.546 10 0 FCAELP C[C@@H](O)C[N@H+]1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)C[C@H]1C ZINC000174317031 488848703 /nfs/dbraw/zinc/84/87/03/488848703.db2.gz WYALTTMFIVLSBK-HZPDHXFCSA-N 2 2 363.506 0.546 10 0 FCAELP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000174643216 488850555 /nfs/dbraw/zinc/85/05/55/488850555.db2.gz KRAVALNJSICIHM-LJQANCHMSA-N 2 2 360.502 0.771 10 0 FCAELP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC000174643216 488850556 /nfs/dbraw/zinc/85/05/56/488850556.db2.gz KRAVALNJSICIHM-LJQANCHMSA-N 2 2 360.502 0.771 10 0 FCAELP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000174643216 488850557 /nfs/dbraw/zinc/85/05/57/488850557.db2.gz KRAVALNJSICIHM-LJQANCHMSA-N 2 2 360.502 0.771 10 0 FCAELP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC000174643216 488850558 /nfs/dbraw/zinc/85/05/58/488850558.db2.gz KRAVALNJSICIHM-LJQANCHMSA-N 2 2 360.502 0.771 10 0 FCAELP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000174748885 488851033 /nfs/dbraw/zinc/85/10/33/488851033.db2.gz HOSICTBRWNKNRA-DLBZAZTESA-N 3 2 355.527 0.375 10 0 FCAELP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000174748885 488851034 /nfs/dbraw/zinc/85/10/34/488851034.db2.gz HOSICTBRWNKNRA-DLBZAZTESA-N 3 2 355.527 0.375 10 0 FCAELP O=C(NCC1([NH+]2CCOCC2)CC1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000365594118 489091399 /nfs/dbraw/zinc/09/13/99/489091399.db2.gz LPUHKEZCIRDASO-KRWDZBQOSA-N 2 2 366.506 0.748 10 0 FCAELP Cc1nc2ccccn2c(=O)c1CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000289790085 489093628 /nfs/dbraw/zinc/09/36/28/489093628.db2.gz LNSFWNSPUNXBLL-UHFFFAOYSA-N 2 2 357.458 0.251 10 0 FCAELP CCn1ncnc1CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000366279583 489166170 /nfs/dbraw/zinc/16/61/70/489166170.db2.gz HJHUPWCXPVMXJA-XYPWUTKMSA-N 2 2 361.494 0.750 10 0 FCAELP CCn1ncnc1CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000366279583 489166173 /nfs/dbraw/zinc/16/61/73/489166173.db2.gz HJHUPWCXPVMXJA-XYPWUTKMSA-N 2 2 361.494 0.750 10 0 FCAELP C[N@@H+]1CCO[C@H]2CCN(C(=O)NCC3([NH+]4CCCC4)CCOCC3)C[C@@H]21 ZINC000332762054 489226468 /nfs/dbraw/zinc/22/64/68/489226468.db2.gz VFBBSZNCQPSNLF-IRXDYDNUSA-N 2 2 366.506 0.746 10 0 FCAELP C[N@H+]1CCO[C@H]2CCN(C(=O)NCC3([NH+]4CCCC4)CCOCC3)C[C@@H]21 ZINC000332762054 489226472 /nfs/dbraw/zinc/22/64/72/489226472.db2.gz VFBBSZNCQPSNLF-IRXDYDNUSA-N 2 2 366.506 0.746 10 0 FCAELP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000332762063 489226683 /nfs/dbraw/zinc/22/66/83/489226683.db2.gz VGWDZJQKTIQIDD-IXDOHACOSA-N 2 2 353.511 0.127 10 0 FCAELP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000332762063 489226686 /nfs/dbraw/zinc/22/66/86/489226686.db2.gz VGWDZJQKTIQIDD-IXDOHACOSA-N 2 2 353.511 0.127 10 0 FCAELP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)C1 ZINC000298234973 489307084 /nfs/dbraw/zinc/30/70/84/489307084.db2.gz BKOLZRIXVTZWRQ-INIZCTEOSA-N 2 2 374.489 0.234 10 0 FCAELP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)C1 ZINC000298234973 489307086 /nfs/dbraw/zinc/30/70/86/489307086.db2.gz BKOLZRIXVTZWRQ-INIZCTEOSA-N 2 2 374.489 0.234 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N(C)C[C@@H]3CCC[N@H+](C)C3)CC2)cc[nH+]1 ZINC000298259271 489309061 /nfs/dbraw/zinc/30/90/61/489309061.db2.gz MIBXLJOSRDHAHU-MRXNPFEDSA-N 2 2 374.489 0.234 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N(C)C[C@@H]3CCC[N@@H+](C)C3)CC2)cc[nH+]1 ZINC000298259271 489309065 /nfs/dbraw/zinc/30/90/65/489309065.db2.gz MIBXLJOSRDHAHU-MRXNPFEDSA-N 2 2 374.489 0.234 10 0 FCAELP CCC(=O)N1CSC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370830195 489408742 /nfs/dbraw/zinc/40/87/42/489408742.db2.gz LOGDGJMAJGCYQN-CVEARBPZSA-N 2 2 368.547 0.925 10 0 FCAELP CCC(=O)N1CSC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370830195 489408746 /nfs/dbraw/zinc/40/87/46/489408746.db2.gz LOGDGJMAJGCYQN-CVEARBPZSA-N 2 2 368.547 0.925 10 0 FCAELP 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/nfs/dbraw/zinc/78/91/08/489789108.db2.gz SRGLSKCLNJEZRI-WKPIXPDZSA-N 2 2 354.401 0.537 10 0 FCAELP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418913684 489789110 /nfs/dbraw/zinc/78/91/10/489789110.db2.gz SRGLSKCLNJEZRI-WKPIXPDZSA-N 2 2 354.401 0.537 10 0 FCAELP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000418916776 489789719 /nfs/dbraw/zinc/78/97/19/489789719.db2.gz SLBCWLKSOVQNHF-CRAIPNDOSA-N 2 2 374.485 0.249 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)[C@@H](C)C[NH2+]1 ZINC000418916281 489789882 /nfs/dbraw/zinc/78/98/82/489789882.db2.gz RILRORRIYQUJOA-HOTGVXAUSA-N 2 2 374.485 0.344 10 0 FCAELP CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000475566501 489836726 /nfs/dbraw/zinc/83/67/26/489836726.db2.gz HWIUCLWZWLDGHC-HNNXBMFYSA-N 2 2 350.467 0.679 10 0 FCAELP CC[N@H+]1CC[C@@H](CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000475566501 489836730 /nfs/dbraw/zinc/83/67/30/489836730.db2.gz HWIUCLWZWLDGHC-HNNXBMFYSA-N 2 2 350.467 0.679 10 0 FCAELP COC(=O)C[C@@H]1CSCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000475889291 489855568 /nfs/dbraw/zinc/85/55/68/489855568.db2.gz QXOCLNPBWHCCAN-OAHLLOKOSA-N 2 2 355.504 0.710 10 0 FCAELP COC(=O)C[C@@H]1CSCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000475889291 489855571 /nfs/dbraw/zinc/85/55/71/489855571.db2.gz QXOCLNPBWHCCAN-OAHLLOKOSA-N 2 2 355.504 0.710 10 0 FCAELP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000419124829 489868365 /nfs/dbraw/zinc/86/83/65/489868365.db2.gz YDWOIOSKGJWSMF-GDBMZVCRSA-N 2 2 359.474 0.802 10 0 FCAELP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000419124832 489868383 /nfs/dbraw/zinc/86/83/83/489868383.db2.gz YDWOIOSKGJWSMF-GOEBONIOSA-N 2 2 359.474 0.802 10 0 FCAELP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000420101124 489912284 /nfs/dbraw/zinc/91/22/84/489912284.db2.gz LSMKHTBMEQQWPC-AEFFLSMTSA-N 2 2 374.485 0.324 10 0 FCAELP 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491293231 /nfs/dbraw/zinc/29/32/31/491293231.db2.gz MRZJVHNJAGGLRE-OAHLLOKOSA-N 2 2 374.489 0.282 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000420871398 490027878 /nfs/dbraw/zinc/02/78/78/490027878.db2.gz WBCJTZODEVBHFU-QGZVFWFLSA-N 2 2 357.458 0.368 10 0 FCAELP NS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420942901 490034367 /nfs/dbraw/zinc/03/43/67/490034367.db2.gz VWNBMPFCAXEFEB-QGZVFWFLSA-N 2 2 353.488 0.772 10 0 FCAELP NS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420942901 490034368 /nfs/dbraw/zinc/03/43/68/490034368.db2.gz VWNBMPFCAXEFEB-QGZVFWFLSA-N 2 2 353.488 0.772 10 0 FCAELP CNC(=O)[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000420968846 490035836 /nfs/dbraw/zinc/03/58/36/490035836.db2.gz CXVWCYXTIRHROR-GOSISDBHSA-N 2 2 358.486 0.707 10 0 FCAELP CNC(=O)[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000420968846 490035839 /nfs/dbraw/zinc/03/58/39/490035839.db2.gz CXVWCYXTIRHROR-GOSISDBHSA-N 2 2 358.486 0.707 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000421503538 490082369 /nfs/dbraw/zinc/08/23/69/490082369.db2.gz GGRISTXNYMZFHO-MRXNPFEDSA-N 2 2 361.421 0.637 10 0 FCAELP CC1(C)CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000382761662 490128005 /nfs/dbraw/zinc/12/80/05/490128005.db2.gz ZKMVLHHFJQGSAW-QGZVFWFLSA-N 2 2 367.515 0.901 10 0 FCAELP CC1(C)CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000382761662 490128010 /nfs/dbraw/zinc/12/80/10/490128010.db2.gz ZKMVLHHFJQGSAW-QGZVFWFLSA-N 2 2 367.515 0.901 10 0 FCAELP CCNC(=O)[C@H](C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000465537753 490128662 /nfs/dbraw/zinc/12/86/62/490128662.db2.gz DRIHNPGYSZMZJX-HNNXBMFYSA-N 2 2 353.511 0.761 10 0 FCAELP CCC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000532923057 490142527 /nfs/dbraw/zinc/14/25/27/490142527.db2.gz JAHJLZTVMKUPBZ-MRXNPFEDSA-N 2 2 357.520 0.629 10 0 FCAELP 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/nfs/dbraw/zinc/21/88/55/490218855.db2.gz BTEBJJPGPFGFRU-KRWDZBQOSA-N 2 2 373.501 0.848 10 0 FCAELP CNC(=O)c1ccc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cn1 ZINC000408078477 490242911 /nfs/dbraw/zinc/24/29/11/490242911.db2.gz HYJDCCKTNYCDTC-AWEZNQCLSA-N 2 2 359.474 0.682 10 0 FCAELP CNC(=O)c1ccc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cn1 ZINC000408078477 490242920 /nfs/dbraw/zinc/24/29/20/490242920.db2.gz HYJDCCKTNYCDTC-AWEZNQCLSA-N 2 2 359.474 0.682 10 0 FCAELP O=C(NCCNc1cc[nH+]cc1)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000533812714 490285591 /nfs/dbraw/zinc/28/55/91/490285591.db2.gz XHWHRLZULVSIHV-UHFFFAOYSA-N 2 2 356.430 0.646 10 0 FCAELP Cc1ccc(C[NH+](CCO)CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)o1 ZINC000483193733 490292098 /nfs/dbraw/zinc/29/20/98/490292098.db2.gz HXCPZTGVQVWERC-SFHVURJKSA-N 2 2 367.490 0.855 10 0 FCAELP Cc1ccc(C[NH+](CCO)CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)o1 ZINC000483193733 490292104 /nfs/dbraw/zinc/29/21/04/490292104.db2.gz HXCPZTGVQVWERC-SFHVURJKSA-N 2 2 367.490 0.855 10 0 FCAELP Cc1ccc(C[N@@H+](CCO)CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)o1 ZINC000483193733 490292114 /nfs/dbraw/zinc/29/21/14/490292114.db2.gz HXCPZTGVQVWERC-SFHVURJKSA-N 2 2 367.490 0.855 10 0 FCAELP Cc1ccc(C[N@H+](CCO)CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)o1 ZINC000483193733 490292120 /nfs/dbraw/zinc/29/21/20/490292120.db2.gz HXCPZTGVQVWERC-SFHVURJKSA-N 2 2 367.490 0.855 10 0 FCAELP C[C@H]1OCC[C@H]1[N@H+](CCO)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000483291235 490302288 /nfs/dbraw/zinc/30/22/88/490302288.db2.gz BEFJWIZRLJNSGT-IEBWSBKVSA-N 2 2 361.486 0.803 10 0 FCAELP C[C@H]1OCC[C@H]1[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000483291235 490302290 /nfs/dbraw/zinc/30/22/90/490302290.db2.gz BEFJWIZRLJNSGT-IEBWSBKVSA-N 2 2 361.486 0.803 10 0 FCAELP O=C(C[NH+]1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1)N1CCCCC1 ZINC000498873340 490359449 /nfs/dbraw/zinc/35/94/49/490359449.db2.gz FPOAEOBFPLUEKQ-UHFFFAOYSA-N 2 2 374.489 0.448 10 0 FCAELP CCN(CC)C(=O)C[NH+]1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000498883890 490361083 /nfs/dbraw/zinc/36/10/83/490361083.db2.gz MPHTUVHGQVUKRO-UHFFFAOYSA-N 2 2 362.478 0.304 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N(C)[C@@H]3CC[N@@H+](C(C)C)C3)CC2)cc[nH+]1 ZINC000411033783 490380903 /nfs/dbraw/zinc/38/09/03/490380903.db2.gz WNCSMKZVFQVZLZ-MRXNPFEDSA-N 2 2 374.489 0.375 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N(C)[C@@H]3CC[N@H+](C(C)C)C3)CC2)cc[nH+]1 ZINC000411033783 490380909 /nfs/dbraw/zinc/38/09/09/490380909.db2.gz WNCSMKZVFQVZLZ-MRXNPFEDSA-N 2 2 374.489 0.375 10 0 FCAELP CNS(=O)(=O)c1ccccc1N1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000499058293 490383357 /nfs/dbraw/zinc/38/33/57/490383357.db2.gz WOGRFKZZHOBXEC-UHFFFAOYSA-N 2 2 363.487 0.922 10 0 FCAELP C[NH+]1CCC(CNC(=O)N2CC[C@@H](NC(N)=O)C2)([NH+]2CCCCC2)CC1 ZINC000534959484 490429977 /nfs/dbraw/zinc/42/99/77/490429977.db2.gz ITPUEFZWGKINJP-OAHLLOKOSA-N 2 2 366.510 0.389 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](NC(N)=O)C2)CC1 ZINC000534968298 490430775 /nfs/dbraw/zinc/43/07/75/490430775.db2.gz ZMQKIXOLLQNOQV-RDJZCZTQSA-N 2 2 359.474 0.634 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](NC(N)=O)C2)CC1 ZINC000534968298 490430780 /nfs/dbraw/zinc/43/07/80/490430780.db2.gz ZMQKIXOLLQNOQV-RDJZCZTQSA-N 2 2 359.474 0.634 10 0 FCAELP O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000450245584 490452989 /nfs/dbraw/zinc/45/29/89/490452989.db2.gz RZBDSSIPDJVNKF-QGZVFWFLSA-N 2 2 362.474 0.490 10 0 FCAELP CCC[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000571771987 491328326 /nfs/dbraw/zinc/32/83/26/491328326.db2.gz VQATYQMQOVQIJH-GJZGRUSLSA-N 2 2 362.478 0.695 10 0 FCAELP COCCOCCN1C(=O)C[C@H]([N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C1=O ZINC000468938500 490466782 /nfs/dbraw/zinc/46/67/82/490466782.db2.gz LTXBHHNVEXLKST-HRCADAONSA-N 2 2 364.446 0.557 10 0 FCAELP COCCOCCN1C(=O)C[C@H]([N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C1=O ZINC000468938500 490466786 /nfs/dbraw/zinc/46/67/86/490466786.db2.gz LTXBHHNVEXLKST-HRCADAONSA-N 2 2 364.446 0.557 10 0 FCAELP CCC[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000571771989 491328370 /nfs/dbraw/zinc/32/83/70/491328370.db2.gz VQATYQMQOVQIJH-LSDHHAIUSA-N 2 2 362.478 0.695 10 0 FCAELP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)[C@H](C)CO ZINC000450734929 490486875 /nfs/dbraw/zinc/48/68/75/490486875.db2.gz XQOOQKFXNWQBKZ-HZPDHXFCSA-N 2 2 361.486 0.872 10 0 FCAELP C[NH2+]C1CCN(C(=O)C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)CC1 ZINC000423013095 490519795 /nfs/dbraw/zinc/51/97/95/490519795.db2.gz MAPLTASVWBGCAK-UHFFFAOYSA-N 2 2 358.486 0.850 10 0 FCAELP CC(C)CN(C(=O)C[NH+]1CCC(C[NH+](C)C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000524371706 490533819 /nfs/dbraw/zinc/53/38/19/490533819.db2.gz QGHBTURSLKPYJS-KRWDZBQOSA-N 2 2 373.563 0.932 10 0 FCAELP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)C[C@H]1c1cccc(F)c1 ZINC000423076618 490536258 /nfs/dbraw/zinc/53/62/58/490536258.db2.gz ZLXLGKWTFZEVNL-DLBZAZTESA-N 2 2 360.433 0.385 10 0 FCAELP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000524787505 490560458 /nfs/dbraw/zinc/56/04/58/490560458.db2.gz NZQDYTXMTQGMMC-SJORKVTESA-N 2 2 354.495 0.603 10 0 FCAELP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000524787505 490560461 /nfs/dbraw/zinc/56/04/61/490560461.db2.gz NZQDYTXMTQGMMC-SJORKVTESA-N 2 2 354.495 0.603 10 0 FCAELP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)CC1 ZINC000511128600 490564378 /nfs/dbraw/zinc/56/43/78/490564378.db2.gz XNZSTXQBQCJQPY-ZDUSSCGKSA-N 2 2 364.412 0.541 10 0 FCAELP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)CC1 ZINC000511128600 490564380 /nfs/dbraw/zinc/56/43/80/490564380.db2.gz XNZSTXQBQCJQPY-ZDUSSCGKSA-N 2 2 364.412 0.541 10 0 FCAELP CN(C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000571902978 491336482 /nfs/dbraw/zinc/33/64/82/491336482.db2.gz UYBBUPFYRJDETP-MRXNPFEDSA-N 2 2 359.474 0.573 10 0 FCAELP CN(C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000571902978 491336484 /nfs/dbraw/zinc/33/64/84/491336484.db2.gz UYBBUPFYRJDETP-MRXNPFEDSA-N 2 2 359.474 0.573 10 0 FCAELP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1 ZINC000501109630 490579724 /nfs/dbraw/zinc/57/97/24/490579724.db2.gz IMQQZDNYUIYMQY-KRWDZBQOSA-N 2 2 367.538 0.071 10 0 FCAELP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1 ZINC000501109630 490579725 /nfs/dbraw/zinc/57/97/25/490579725.db2.gz IMQQZDNYUIYMQY-KRWDZBQOSA-N 2 2 367.538 0.071 10 0 FCAELP CC(C)NC(=O)C[NH+](C)CC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000501109630 490579727 /nfs/dbraw/zinc/57/97/27/490579727.db2.gz IMQQZDNYUIYMQY-KRWDZBQOSA-N 2 2 367.538 0.071 10 0 FCAELP CC(C)NC(=O)C[NH+](C)CC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000501109630 490579730 /nfs/dbraw/zinc/57/97/30/490579730.db2.gz IMQQZDNYUIYMQY-KRWDZBQOSA-N 2 2 367.538 0.071 10 0 FCAELP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)c2ccc(C[NH+](C)C)nc2)CC1 ZINC000549735487 490598020 /nfs/dbraw/zinc/59/80/20/490598020.db2.gz KZOQTFOWJCPVQM-MRXNPFEDSA-N 2 2 373.501 0.912 10 0 FCAELP C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CC1=O ZINC000537985305 490703659 /nfs/dbraw/zinc/70/36/59/490703659.db2.gz YZXSYAQOAXDDOK-BPQIPLTHSA-N 2 2 350.507 0.382 10 0 FCAELP C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CC1=O ZINC000537985305 490703662 /nfs/dbraw/zinc/70/36/62/490703662.db2.gz YZXSYAQOAXDDOK-BPQIPLTHSA-N 2 2 350.507 0.382 10 0 FCAELP C[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)C1(S(C)(=O)=O)CC1 ZINC000512903702 490703817 /nfs/dbraw/zinc/70/38/17/490703817.db2.gz DYQYQYBWHYGHPL-ZDUSSCGKSA-N 2 2 353.492 0.284 10 0 FCAELP COCC[NH2+]C1CCN(C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000565113590 491354472 /nfs/dbraw/zinc/35/44/72/491354472.db2.gz FQMQQLGQZJOSPR-UHFFFAOYSA-N 2 2 373.457 0.220 10 0 FCAELP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000539934609 490801872 /nfs/dbraw/zinc/80/18/72/490801872.db2.gz JPHWTJCYDWPWFD-MRXNPFEDSA-N 2 2 366.506 0.300 10 0 FCAELP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000539934609 490801874 /nfs/dbraw/zinc/80/18/74/490801874.db2.gz JPHWTJCYDWPWFD-MRXNPFEDSA-N 2 2 366.506 0.300 10 0 FCAELP O=C(Nc1ccn2cc[nH+]c2c1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000528687655 490820218 /nfs/dbraw/zinc/82/02/18/490820218.db2.gz GZBLJQXLXKWNFE-UHFFFAOYSA-N 2 2 357.418 0.509 10 0 FCAELP C[C@@H]1CN(c2ccc(CNC(=O)NC[C@@H]3COCC[NH2+]3)c[nH+]2)C[C@@H](C)O1 ZINC000529286595 490847415 /nfs/dbraw/zinc/84/74/15/490847415.db2.gz MMVHOVFZDPRLIB-IIAWOOMASA-N 2 2 363.462 0.483 10 0 FCAELP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529300206 490848113 /nfs/dbraw/zinc/84/81/13/490848113.db2.gz ACSNHXXZPPHAJG-NVXWUHKLSA-N 2 2 354.495 0.507 10 0 FCAELP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529300206 490848116 /nfs/dbraw/zinc/84/81/16/490848116.db2.gz ACSNHXXZPPHAJG-NVXWUHKLSA-N 2 2 354.495 0.507 10 0 FCAELP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529300211 490848996 /nfs/dbraw/zinc/84/89/96/490848996.db2.gz ACSNHXXZPPHAJG-WBVHZDCISA-N 2 2 354.495 0.507 10 0 FCAELP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529300211 490848997 /nfs/dbraw/zinc/84/89/97/490848997.db2.gz ACSNHXXZPPHAJG-WBVHZDCISA-N 2 2 354.495 0.507 10 0 FCAELP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000529325970 490852590 /nfs/dbraw/zinc/85/25/90/490852590.db2.gz RQMYMBGGZFJNHG-CABCVRRESA-N 2 2 362.478 0.551 10 0 FCAELP CC[NH2+]CCCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000557246414 491361776 /nfs/dbraw/zinc/36/17/76/491361776.db2.gz FZJXTSKHOJMABU-HOTGVXAUSA-N 2 2 368.428 0.942 10 0 FCAELP CC[NH2+]CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000557246414 491361779 /nfs/dbraw/zinc/36/17/79/491361779.db2.gz FZJXTSKHOJMABU-HOTGVXAUSA-N 2 2 368.428 0.942 10 0 FCAELP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000542115694 490885757 /nfs/dbraw/zinc/88/57/57/490885757.db2.gz LFZFZXYPLLDHBG-HUUCEWRRSA-N 2 2 364.494 0.941 10 0 FCAELP 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ZINC000573334891 491427132 /nfs/dbraw/zinc/42/71/32/491427132.db2.gz ORJQJTLTLDNFEA-KRWDZBQOSA-N 2 2 363.506 0.641 10 0 FCAELP C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](C[NH2+]Cc2cc[nH]n2)CC3)CC1 ZINC000559135540 491455617 /nfs/dbraw/zinc/45/56/17/491455617.db2.gz XWNRKBZUTZLXQW-AWEZNQCLSA-N 2 2 357.462 0.346 10 0 FCAELP C[N@@H+]1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)[C@H](C[NH3+])C1 ZINC000573942389 491464510 /nfs/dbraw/zinc/46/45/10/491464510.db2.gz OZFVPFXYKQOVSJ-OWCLPIDISA-N 2 2 351.495 0.452 10 0 FCAELP C[N@H+]1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)[C@H](C[NH3+])C1 ZINC000573942389 491464513 /nfs/dbraw/zinc/46/45/13/491464513.db2.gz OZFVPFXYKQOVSJ-OWCLPIDISA-N 2 2 351.495 0.452 10 0 FCAELP CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc4c(nc[nH+]c4N(C)C)n3C)[C@H]2C1 ZINC000567073249 491484313 /nfs/dbraw/zinc/48/43/13/491484313.db2.gz PAXCTRBZDBVQEG-JKSUJKDBSA-N 2 2 372.473 0.970 10 0 FCAELP CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cc4c(nc[nH+]c4N(C)C)n3C)[C@H]2C1 ZINC000567073249 491484315 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2 372.462 0.293 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1COCCN1CC(F)(F)F ZINC000617764055 492189851 /nfs/dbraw/zinc/18/98/51/492189851.db2.gz HGZYHZPWPLEPIZ-ZDUSSCGKSA-N 2 2 354.417 0.249 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1COCCN1CC(F)(F)F ZINC000617764055 492189854 /nfs/dbraw/zinc/18/98/54/492189854.db2.gz HGZYHZPWPLEPIZ-ZDUSSCGKSA-N 2 2 354.417 0.249 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000617767804 492190552 /nfs/dbraw/zinc/19/05/52/492190552.db2.gz DEGYAPULVAGTTN-UHFFFAOYSA-N 2 2 361.446 0.102 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000617767804 492190554 /nfs/dbraw/zinc/19/05/54/492190554.db2.gz DEGYAPULVAGTTN-UHFFFAOYSA-N 2 2 361.446 0.102 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC000617767254 492190751 /nfs/dbraw/zinc/19/07/51/492190751.db2.gz MOELJXBWMWMFKB-UHFFFAOYSA-N 2 2 371.485 0.910 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC000617767254 492190752 /nfs/dbraw/zinc/19/07/52/492190752.db2.gz MOELJXBWMWMFKB-UHFFFAOYSA-N 2 2 371.485 0.910 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000617767834 492190837 /nfs/dbraw/zinc/19/08/37/492190837.db2.gz FLKINNMVOOOBAM-UHFFFAOYSA-N 2 2 371.485 0.956 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000617767834 492190839 /nfs/dbraw/zinc/19/08/39/492190839.db2.gz FLKINNMVOOOBAM-UHFFFAOYSA-N 2 2 371.485 0.956 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000617768456 492190989 /nfs/dbraw/zinc/19/09/89/492190989.db2.gz DYPVATIMDRWEQB-GASCZTMLSA-N 2 2 352.479 0.161 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000617768456 492190992 /nfs/dbraw/zinc/19/09/92/492190992.db2.gz DYPVATIMDRWEQB-GASCZTMLSA-N 2 2 352.479 0.161 10 0 FCAELP COC(=O)CCN1CCC[C@H]([NH+]2CCC(C)([NH+]3CCOCC3)CC2)C1=O ZINC000599623094 492194964 /nfs/dbraw/zinc/19/49/64/492194964.db2.gz QMYXHQWZWSDVHO-INIZCTEOSA-N 2 2 367.490 0.727 10 0 FCAELP CCN(C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000617929597 492205537 /nfs/dbraw/zinc/20/55/37/492205537.db2.gz MYGFEQFTMAMFDO-DLBZAZTESA-N 2 2 366.506 0.110 10 0 FCAELP CCN(C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC[N@@H+](CC)C1 ZINC000617929597 492205538 /nfs/dbraw/zinc/20/55/38/492205538.db2.gz MYGFEQFTMAMFDO-DLBZAZTESA-N 2 2 366.506 0.110 10 0 FCAELP CC(C)[C@@H](C(=O)NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1)[NH+](C)C ZINC000619940793 492282952 /nfs/dbraw/zinc/28/29/52/492282952.db2.gz CSYASKNZTGINDF-AZUAARDMSA-N 2 2 363.502 0.952 10 0 FCAELP CC(C)[C@@H](C(=O)NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1)[NH+](C)C ZINC000619940793 492282953 /nfs/dbraw/zinc/28/29/53/492282953.db2.gz CSYASKNZTGINDF-AZUAARDMSA-N 2 2 363.502 0.952 10 0 FCAELP C[C@@H](C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N1CC[NH+](C)CC1 ZINC000619970243 492284858 /nfs/dbraw/zinc/28/48/58/492284858.db2.gz GLQJOTVQAGQAAT-GVDBMIGSSA-N 2 2 350.507 0.382 10 0 FCAELP O=C(NCc1ccccc1C[NH+]1CCOCC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654355329 492293279 /nfs/dbraw/zinc/29/32/79/492293279.db2.gz MWXZBGDZUIJXID-RBUKOAKNSA-N 2 2 374.485 0.479 10 0 FCAELP O=C(NCc1ccccc1C[NH+]1CCOCC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654355329 492293282 /nfs/dbraw/zinc/29/32/82/492293282.db2.gz MWXZBGDZUIJXID-RBUKOAKNSA-N 2 2 374.485 0.479 10 0 FCAELP C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)[C@H](c2ccccc2)C1 ZINC000627442728 492297498 /nfs/dbraw/zinc/29/74/98/492297498.db2.gz QNSWMVLLGBDOBN-DLBZAZTESA-N 2 2 356.470 0.903 10 0 FCAELP C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)[C@H](c2ccccc2)C1 ZINC000627442728 492297503 /nfs/dbraw/zinc/29/75/03/492297503.db2.gz QNSWMVLLGBDOBN-DLBZAZTESA-N 2 2 356.470 0.903 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)CC2)CC1 ZINC000654413354 492299070 /nfs/dbraw/zinc/29/90/70/492299070.db2.gz QMORQSWVUZDEKA-ZWKOTPCHSA-N 3 2 365.522 0.005 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)CC2)CC1 ZINC000654413354 492299074 /nfs/dbraw/zinc/29/90/74/492299074.db2.gz QMORQSWVUZDEKA-ZWKOTPCHSA-N 3 2 365.522 0.005 10 0 FCAELP C[C@@H](CNC(=O)NCc1c[nH+]c(N(C)C)n1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654478670 492309575 /nfs/dbraw/zinc/30/95/75/492309575.db2.gz JUCZYFRYGSRQPP-MELADBBJSA-N 2 2 352.483 0.783 10 0 FCAELP C[C@@H](CNC(=O)NCc1c[nH+]c(N(C)C)n1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654478670 492309577 /nfs/dbraw/zinc/30/95/77/492309577.db2.gz JUCZYFRYGSRQPP-MELADBBJSA-N 2 2 352.483 0.783 10 0 FCAELP C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)C[NH2+]1 ZINC000627483108 492318001 /nfs/dbraw/zinc/31/80/01/492318001.db2.gz ZFVULRRTJYXAST-MNOVXSKESA-N 2 2 361.368 0.661 10 0 FCAELP C[C@@H](CNC(=O)N(C)CCCN1CC[NH+](C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652316 492331611 /nfs/dbraw/zinc/33/16/11/492331611.db2.gz LJKXFARTMJFYDK-OKZBNKHCSA-N 2 2 369.554 0.763 10 0 FCAELP C[C@@H](CNC(=O)N(C)CCCN1CC[NH+](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652316 492331614 /nfs/dbraw/zinc/33/16/14/492331614.db2.gz LJKXFARTMJFYDK-OKZBNKHCSA-N 2 2 369.554 0.763 10 0 FCAELP C[C@@H](CNC(=O)N(C)CCC[NH+]1CCN(C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652316 492331615 /nfs/dbraw/zinc/33/16/15/492331615.db2.gz LJKXFARTMJFYDK-OKZBNKHCSA-N 2 2 369.554 0.763 10 0 FCAELP C[C@@H](CNC(=O)N(C)CCC[NH+]1CCN(C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652316 492331617 /nfs/dbraw/zinc/33/16/17/492331617.db2.gz LJKXFARTMJFYDK-OKZBNKHCSA-N 2 2 369.554 0.763 10 0 FCAELP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652969 492332130 /nfs/dbraw/zinc/33/21/30/492332130.db2.gz UFTQZDICQQHBDB-XLAORIBOSA-N 2 2 369.554 0.809 10 0 FCAELP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652969 492332134 /nfs/dbraw/zinc/33/21/34/492332134.db2.gz UFTQZDICQQHBDB-XLAORIBOSA-N 2 2 369.554 0.809 10 0 FCAELP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652969 492332139 /nfs/dbraw/zinc/33/21/39/492332139.db2.gz UFTQZDICQQHBDB-XLAORIBOSA-N 2 2 369.554 0.809 10 0 FCAELP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652969 492332143 /nfs/dbraw/zinc/33/21/43/492332143.db2.gz UFTQZDICQQHBDB-XLAORIBOSA-N 2 2 369.554 0.809 10 0 FCAELP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000647597041 492332350 /nfs/dbraw/zinc/33/23/50/492332350.db2.gz FKXGFEGYGHWUHW-HOTGVXAUSA-N 3 2 367.538 0.295 10 0 FCAELP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CCO1 ZINC000642519132 492361189 /nfs/dbraw/zinc/36/11/89/492361189.db2.gz GEHJAFOPGDPHRS-GXFFZTMASA-N 2 2 365.821 0.179 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)C1=O ZINC000634711150 492362763 /nfs/dbraw/zinc/36/27/63/492362763.db2.gz KLHFNGATSKHOOQ-RLFYNMQTSA-N 2 2 350.463 0.413 10 0 FCAELP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC([NH+]2CCCOCC2)CC1 ZINC000627738345 492370571 /nfs/dbraw/zinc/37/05/71/492370571.db2.gz PCIIVUWYRWLIPA-UHFFFAOYSA-N 2 2 354.495 0.156 10 0 FCAELP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC([NH+]2CCCOCC2)CC1 ZINC000627738345 492370572 /nfs/dbraw/zinc/37/05/72/492370572.db2.gz PCIIVUWYRWLIPA-UHFFFAOYSA-N 2 2 354.495 0.156 10 0 FCAELP CC(C)NC(=O)C[NH+](C)CC(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627738345 492370574 /nfs/dbraw/zinc/37/05/74/492370574.db2.gz PCIIVUWYRWLIPA-UHFFFAOYSA-N 2 2 354.495 0.156 10 0 FCAELP NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647899637 492379458 /nfs/dbraw/zinc/37/94/58/492379458.db2.gz RIEYQQLAWRRQRZ-CZUORRHYSA-N 2 2 366.487 0.737 10 0 FCAELP NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647899637 492379462 /nfs/dbraw/zinc/37/94/62/492379462.db2.gz RIEYQQLAWRRQRZ-CZUORRHYSA-N 2 2 366.487 0.737 10 0 FCAELP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000642977347 492409640 /nfs/dbraw/zinc/40/96/40/492409640.db2.gz QPZDZSHZIIEQRU-YJBOKZPZSA-N 2 2 374.485 0.646 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000643015120 492414805 /nfs/dbraw/zinc/41/48/05/492414805.db2.gz NPJRGTZJWOSYJL-BRWVUGGUSA-N 2 2 371.485 0.543 10 0 FCAELP CN1CC[NH+](Cc2ccc(C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)cc2)CC1 ZINC000655297240 492428136 /nfs/dbraw/zinc/42/81/36/492428136.db2.gz HODZPYXRSYNKIN-RBUKOAKNSA-N 2 2 358.486 0.325 10 0 FCAELP CN1CC[NH+](Cc2ccc(C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)cc2)CC1 ZINC000655297240 492428139 /nfs/dbraw/zinc/42/81/39/492428139.db2.gz HODZPYXRSYNKIN-RBUKOAKNSA-N 2 2 358.486 0.325 10 0 FCAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CNC(=O)c3cccnc3)CC2)CC1 ZINC000643362500 492439824 /nfs/dbraw/zinc/43/98/24/492439824.db2.gz NJYCAQWMYYDRFY-UHFFFAOYSA-N 2 2 373.501 0.830 10 0 FCAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CNC(=O)c3cccnc3)CC2)CC1 ZINC000643362500 492439826 /nfs/dbraw/zinc/43/98/26/492439826.db2.gz NJYCAQWMYYDRFY-UHFFFAOYSA-N 2 2 373.501 0.830 10 0 FCAELP C[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487934 492447016 /nfs/dbraw/zinc/44/70/16/492447016.db2.gz QJYIOTVGNLDZSX-KBXIAJHMSA-N 2 2 350.467 0.430 10 0 FCAELP C[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487934 492447018 /nfs/dbraw/zinc/44/70/18/492447018.db2.gz QJYIOTVGNLDZSX-KBXIAJHMSA-N 2 2 350.467 0.430 10 0 FCAELP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655916747 492487506 /nfs/dbraw/zinc/48/75/06/492487506.db2.gz HNJUKCGECFSIQM-LLVKDONJSA-N 2 2 353.389 0.072 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C1)CC2 ZINC000643540945 492494168 /nfs/dbraw/zinc/49/41/68/492494168.db2.gz BWRPPMKLZTWDTP-JKSUJKDBSA-N 2 2 371.416 0.626 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1CCC([C@H]3[NH2+]CC3(C)C)CC1)CC2 ZINC000643540944 492494744 /nfs/dbraw/zinc/49/47/44/492494744.db2.gz BFLYKBNLTZZUKN-MRXNPFEDSA-N 2 2 359.474 0.770 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656025004 492519909 /nfs/dbraw/zinc/51/99/09/492519909.db2.gz VEPNOYOWCDZNAV-SOUVJXGZSA-N 2 2 374.485 0.520 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656023804 492519999 /nfs/dbraw/zinc/51/99/99/492519999.db2.gz FSHDHVCBUCJWGS-AYDFFVQHSA-N 2 2 354.495 0.234 10 0 FCAELP C[C@@H](C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C)[NH+]1CCCCCC1 ZINC000628577280 492521933 /nfs/dbraw/zinc/52/19/33/492521933.db2.gz NYIIZKDHFFNIED-QFBILLFUSA-N 2 2 353.507 0.983 10 0 FCAELP C[C@@H](C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C)[NH+]1CCCCCC1 ZINC000628577280 492521937 /nfs/dbraw/zinc/52/19/37/492521937.db2.gz NYIIZKDHFFNIED-QFBILLFUSA-N 2 2 353.507 0.983 10 0 FCAELP C[NH2+]CC1CCN(C(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656039524 492522094 /nfs/dbraw/zinc/52/20/94/492522094.db2.gz BWPIGLREIKTQAQ-SOUVJXGZSA-N 2 2 354.495 0.058 10 0 FCAELP C[NH2+]CC1CCN(C(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656039524 492522096 /nfs/dbraw/zinc/52/20/96/492522096.db2.gz BWPIGLREIKTQAQ-SOUVJXGZSA-N 2 2 354.495 0.058 10 0 FCAELP C[NH2+]CCC1CCN(C(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656039497 492522339 /nfs/dbraw/zinc/52/23/39/492522339.db2.gz BJPPVWLGWWPSSH-OAGGEKHMSA-N 2 2 368.522 0.448 10 0 FCAELP C[NH2+]CCC1CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656039497 492522342 /nfs/dbraw/zinc/52/23/42/492522342.db2.gz BJPPVWLGWWPSSH-OAGGEKHMSA-N 2 2 368.522 0.448 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656067141 492529447 /nfs/dbraw/zinc/52/94/47/492529447.db2.gz IGABIMIBYFWJGF-MWDXBVQZSA-N 2 2 366.506 0.297 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656067141 492529451 /nfs/dbraw/zinc/52/94/51/492529451.db2.gz IGABIMIBYFWJGF-MWDXBVQZSA-N 2 2 366.506 0.297 10 0 FCAELP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656068809 492530361 /nfs/dbraw/zinc/53/03/61/492530361.db2.gz GMOUWOYKVUMUPV-LVQVYYBASA-N 2 2 354.495 0.153 10 0 FCAELP C[C@H](CNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656072621 492533449 /nfs/dbraw/zinc/53/34/49/492533449.db2.gz SXBLDJWUGWCHRJ-OAGGEKHMSA-N 2 2 366.506 0.297 10 0 FCAELP C[C@H](CNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656072621 492533453 /nfs/dbraw/zinc/53/34/53/492533453.db2.gz SXBLDJWUGWCHRJ-OAGGEKHMSA-N 2 2 366.506 0.297 10 0 FCAELP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656079289 492540160 /nfs/dbraw/zinc/54/01/60/492540160.db2.gz SNLREDLADLHSHF-OAGGEKHMSA-N 2 2 356.511 0.401 10 0 FCAELP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656079289 492540163 /nfs/dbraw/zinc/54/01/63/492540163.db2.gz SNLREDLADLHSHF-OAGGEKHMSA-N 2 2 356.511 0.401 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N(C)CCCn1cc[nH+]c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656080752 492541474 /nfs/dbraw/zinc/54/14/74/492541474.db2.gz GDFULCSIXZTIGI-HRCADAONSA-N 2 2 365.478 0.346 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N(C)CCCn1cc[nH+]c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656080752 492541477 /nfs/dbraw/zinc/54/14/77/492541477.db2.gz GDFULCSIXZTIGI-HRCADAONSA-N 2 2 365.478 0.346 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(C3(O)CC3)CC2)C1 ZINC000649674937 492569870 /nfs/dbraw/zinc/56/98/70/492569870.db2.gz ILZIBHLFUNPGPU-KRWDZBQOSA-N 2 2 353.507 0.696 10 0 FCAELP C[NH+](C)CCN1CC[N@H+](CCC(=O)Nc2cc(N)ccc2F)CC1=O ZINC000649686874 492572242 /nfs/dbraw/zinc/57/22/42/492572242.db2.gz ZWZZWJFIHGFZIY-UHFFFAOYSA-N 2 2 351.426 0.442 10 0 FCAELP C[NH+](C)CCN1CC[N@@H+](CCC(=O)Nc2cc(N)ccc2F)CC1=O ZINC000649686874 492572245 /nfs/dbraw/zinc/57/22/45/492572245.db2.gz ZWZZWJFIHGFZIY-UHFFFAOYSA-N 2 2 351.426 0.442 10 0 FCAELP COc1cccc(COC[C@H](O)C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000649688738 492573250 /nfs/dbraw/zinc/57/32/50/492573250.db2.gz LZHWJMHXVKQGSJ-QGZVFWFLSA-N 2 2 365.474 0.279 10 0 FCAELP COc1cccc(COC[C@H](O)C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000649688738 492573252 /nfs/dbraw/zinc/57/32/52/492573252.db2.gz LZHWJMHXVKQGSJ-QGZVFWFLSA-N 2 2 365.474 0.279 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCN(C4CCC4)C3=O)C2)CC1 ZINC000623639191 492577419 /nfs/dbraw/zinc/57/74/19/492577419.db2.gz DXGAVXFBWFHJMO-WMLDXEAASA-N 2 2 363.506 0.608 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCN(C4CCC4)C3=O)C2)CC1 ZINC000623639191 492577426 /nfs/dbraw/zinc/57/74/26/492577426.db2.gz DXGAVXFBWFHJMO-WMLDXEAASA-N 2 2 363.506 0.608 10 0 FCAELP COC[C@@]1(C)CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000623639270 492577517 /nfs/dbraw/zinc/57/75/17/492577517.db2.gz KZLCOYNWOJMJQY-MAUKXSAKSA-N 2 2 354.495 0.602 10 0 FCAELP COC[C@@]1(C)CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000623639270 492577520 /nfs/dbraw/zinc/57/75/20/492577520.db2.gz KZLCOYNWOJMJQY-MAUKXSAKSA-N 2 2 354.495 0.602 10 0 FCAELP C[C@H](CNC(=O)C(=O)NCC[N@H+](C)C1CCCC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656311052 492584962 /nfs/dbraw/zinc/58/49/62/492584962.db2.gz IFUUDFFEFKMUEA-OAGGEKHMSA-N 2 2 368.522 0.591 10 0 FCAELP C[C@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656311052 492584965 /nfs/dbraw/zinc/58/49/65/492584965.db2.gz IFUUDFFEFKMUEA-OAGGEKHMSA-N 2 2 368.522 0.591 10 0 FCAELP C[C@H](CNC(=O)C(=O)NCC[NH+](C)C1CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656311052 492584966 /nfs/dbraw/zinc/58/49/66/492584966.db2.gz IFUUDFFEFKMUEA-OAGGEKHMSA-N 2 2 368.522 0.591 10 0 FCAELP C[C@H](CNC(=O)C(=O)NCC[NH+](C)C1CCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656311052 492584970 /nfs/dbraw/zinc/58/49/70/492584970.db2.gz IFUUDFFEFKMUEA-OAGGEKHMSA-N 2 2 368.522 0.591 10 0 FCAELP CN(C)S(=O)(=O)N1CC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000623794303 492596085 /nfs/dbraw/zinc/59/60/85/492596085.db2.gz PYIUDJUSDMBQED-UHFFFAOYSA-N 2 2 366.531 0.774 10 0 FCAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000624280950 492634464 /nfs/dbraw/zinc/63/44/64/492634464.db2.gz VSFZXOXPOGNXDK-YJBOKZPZSA-N 2 2 366.531 0.977 10 0 FCAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000624280950 492634465 /nfs/dbraw/zinc/63/44/65/492634465.db2.gz VSFZXOXPOGNXDK-YJBOKZPZSA-N 2 2 366.531 0.977 10 0 FCAELP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000624738842 492677917 /nfs/dbraw/zinc/67/79/17/492677917.db2.gz NQEVCKRUZBGJHC-HNNXBMFYSA-N 2 2 356.536 0.978 10 0 FCAELP C[N@H+]1CCOC[C@@H]1CNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000624738842 492677922 /nfs/dbraw/zinc/67/79/22/492677922.db2.gz NQEVCKRUZBGJHC-HNNXBMFYSA-N 2 2 356.536 0.978 10 0 FCAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC(Cn3cnnc3)CC2)CC1 ZINC000650995004 492692961 /nfs/dbraw/zinc/69/29/61/492692961.db2.gz ZAFWIYIODAJSRN-UHFFFAOYSA-N 2 2 363.510 0.726 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000657070898 492709238 /nfs/dbraw/zinc/70/92/38/492709238.db2.gz BHCSARQIIZBDSR-LSDHHAIUSA-N 2 2 373.523 0.395 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000657070898 492709241 /nfs/dbraw/zinc/70/92/41/492709241.db2.gz BHCSARQIIZBDSR-LSDHHAIUSA-N 2 2 373.523 0.395 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc2c(c1)nnn2C ZINC000657071175 492709527 /nfs/dbraw/zinc/70/95/27/492709527.db2.gz IEDCPHQTYWZGLB-ZDUSSCGKSA-N 2 2 368.507 0.519 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc2c(c1)nnn2C ZINC000657071175 492709531 /nfs/dbraw/zinc/70/95/31/492709531.db2.gz IEDCPHQTYWZGLB-ZDUSSCGKSA-N 2 2 368.507 0.519 10 0 FCAELP NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000651230703 492725581 /nfs/dbraw/zinc/72/55/81/492725581.db2.gz BULJSGOGFXLECQ-INIZCTEOSA-N 2 2 359.474 0.703 10 0 FCAELP NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000651230703 492725583 /nfs/dbraw/zinc/72/55/83/492725583.db2.gz BULJSGOGFXLECQ-INIZCTEOSA-N 2 2 359.474 0.703 10 0 FCAELP CC[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CO1 ZINC000657318977 492749004 /nfs/dbraw/zinc/74/90/04/492749004.db2.gz XOCIUECKSCDAQW-HZPDHXFCSA-N 2 2 368.503 0.691 10 0 FCAELP C[NH+](C)CCN1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1=O ZINC000651383077 492750155 /nfs/dbraw/zinc/75/01/55/492750155.db2.gz IQYOLGNGMUFJKD-UHFFFAOYSA-N 2 2 350.492 0.240 10 0 FCAELP C[NH+](C)CCN1CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1=O ZINC000651383077 492750156 /nfs/dbraw/zinc/75/01/56/492750156.db2.gz IQYOLGNGMUFJKD-UHFFFAOYSA-N 2 2 350.492 0.240 10 0 FCAELP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000651530922 492775592 /nfs/dbraw/zinc/77/55/92/492775592.db2.gz MWELXZTZSLUOTR-INIZCTEOSA-N 2 2 359.474 0.527 10 0 FCAELP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000651530922 492775596 /nfs/dbraw/zinc/77/55/96/492775596.db2.gz MWELXZTZSLUOTR-INIZCTEOSA-N 2 2 359.474 0.527 10 0 FCAELP Cc1cn(C)nc1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000657824621 492799229 /nfs/dbraw/zinc/79/92/29/492799229.db2.gz RHISVYFYBWDMDX-UHFFFAOYSA-N 2 2 350.467 0.151 10 0 FCAELP Cc1cn(C)nc1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000657824621 492799233 /nfs/dbraw/zinc/79/92/33/492799233.db2.gz RHISVYFYBWDMDX-UHFFFAOYSA-N 2 2 350.467 0.151 10 0 FCAELP COc1ccc(C[NH+]2CCN(C(=O)CN3CC[C@H]4C[N@H+](C)C[C@@H]43)CC2)cc1 ZINC000644736106 492802689 /nfs/dbraw/zinc/80/26/89/492802689.db2.gz WWNQHNBEVHMECP-ICSRJNTNSA-N 2 2 372.513 0.975 10 0 FCAELP COc1ccc(C[NH+]2CCN(C(=O)CN3CC[C@H]4C[N@@H+](C)C[C@@H]43)CC2)cc1 ZINC000644736106 492802691 /nfs/dbraw/zinc/80/26/91/492802691.db2.gz WWNQHNBEVHMECP-ICSRJNTNSA-N 2 2 372.513 0.975 10 0 FCAELP Cc1cn2ccc(NC(=O)C(=O)NC[C@H]3CCCC[N@@H+]3CCO)cc2[nH+]1 ZINC000657980297 492824942 /nfs/dbraw/zinc/82/49/42/492824942.db2.gz AVRSVJLQAMVJOJ-OAHLLOKOSA-N 2 2 359.430 0.544 10 0 FCAELP Cc1cn2ccc(NC(=O)C(=O)NC[C@H]3CCCC[N@H+]3CCO)cc2[nH+]1 ZINC000657980297 492824945 /nfs/dbraw/zinc/82/49/45/492824945.db2.gz AVRSVJLQAMVJOJ-OAHLLOKOSA-N 2 2 359.430 0.544 10 0 FCAELP C[N@@H+]1CCO[C@@H](CS(=O)(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000631727294 492842810 /nfs/dbraw/zinc/84/28/10/492842810.db2.gz LFGCRNOQBCXEIZ-GOSISDBHSA-N 2 2 367.515 0.685 10 0 FCAELP C[N@H+]1CCO[C@@H](CS(=O)(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000631727294 492842814 /nfs/dbraw/zinc/84/28/14/492842814.db2.gz LFGCRNOQBCXEIZ-GOSISDBHSA-N 2 2 367.515 0.685 10 0 FCAELP C[NH+]1CCO[C@@H](CS(=O)(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000631727294 492842818 /nfs/dbraw/zinc/84/28/18/492842818.db2.gz LFGCRNOQBCXEIZ-GOSISDBHSA-N 2 2 367.515 0.685 10 0 FCAELP C[NH+]1CCO[C@@H](CS(=O)(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000631727294 492842822 /nfs/dbraw/zinc/84/28/22/492842822.db2.gz LFGCRNOQBCXEIZ-GOSISDBHSA-N 2 2 367.515 0.685 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000631772810 492850288 /nfs/dbraw/zinc/85/02/88/492850288.db2.gz PSCLVTPCSNWOIB-MRXNPFEDSA-N 2 2 372.535 0.037 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000631772810 492850289 /nfs/dbraw/zinc/85/02/89/492850289.db2.gz PSCLVTPCSNWOIB-MRXNPFEDSA-N 2 2 372.535 0.037 10 0 FCAELP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)C1 ZINC000631787918 492853080 /nfs/dbraw/zinc/85/30/80/492853080.db2.gz IYSJANQCZDAFTN-BZUAXINKSA-N 2 2 361.552 0.993 10 0 FCAELP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)C1 ZINC000631787918 492853083 /nfs/dbraw/zinc/85/30/83/492853083.db2.gz IYSJANQCZDAFTN-BZUAXINKSA-N 2 2 361.552 0.993 10 0 FCAELP CCN(CC(F)(F)F)C(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000631824629 492859010 /nfs/dbraw/zinc/85/90/10/492859010.db2.gz LXXGPKVKWGBARX-LBPRGKRZSA-N 2 2 352.401 0.717 10 0 FCAELP CCN(CC(F)(F)F)C(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000631824629 492859014 /nfs/dbraw/zinc/85/90/14/492859014.db2.gz LXXGPKVKWGBARX-LBPRGKRZSA-N 2 2 352.401 0.717 10 0 FCAELP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@H]1C[NH3+] ZINC000631838381 492859940 /nfs/dbraw/zinc/85/99/40/492859940.db2.gz NKQUHAOQKKBTBJ-VQIMIIECSA-N 3 2 372.513 0.792 10 0 FCAELP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@H]1C[NH3+] ZINC000631838381 492859943 /nfs/dbraw/zinc/85/99/43/492859943.db2.gz NKQUHAOQKKBTBJ-VQIMIIECSA-N 3 2 372.513 0.792 10 0 FCAELP Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000658335900 492861836 /nfs/dbraw/zinc/86/18/36/492861836.db2.gz JDFXUXMWSDTRKG-AWEZNQCLSA-N 2 2 365.478 0.020 10 0 FCAELP Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000658335900 492861838 /nfs/dbraw/zinc/86/18/38/492861838.db2.gz JDFXUXMWSDTRKG-AWEZNQCLSA-N 2 2 365.478 0.020 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cnn(C)c1C(F)F ZINC000658335574 492862264 /nfs/dbraw/zinc/86/22/64/492862264.db2.gz CCMAACXIMNZITF-NSHDSACASA-N 2 2 374.436 0.684 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cnn(C)c1C(F)F ZINC000658335574 492862266 /nfs/dbraw/zinc/86/22/66/492862266.db2.gz CCMAACXIMNZITF-NSHDSACASA-N 2 2 374.436 0.684 10 0 FCAELP Cn1cc[nH+]c1[C@@H](NS(=O)(=O)C[C@@H]1C[NH2+]CCO1)c1ccc(F)cc1 ZINC000631910264 492876791 /nfs/dbraw/zinc/87/67/91/492876791.db2.gz BXNJJWPEXOASBW-GJZGRUSLSA-N 2 2 368.434 0.556 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C[C@H](C)[N@H+]1C ZINC000625748461 492878154 /nfs/dbraw/zinc/87/81/54/492878154.db2.gz ZIFOYATUBRDRMK-IYBDPMFKSA-N 2 2 366.506 0.251 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C[C@H](C)[N@@H+]1C ZINC000625748461 492878158 /nfs/dbraw/zinc/87/81/58/492878158.db2.gz ZIFOYATUBRDRMK-IYBDPMFKSA-N 2 2 366.506 0.251 10 0 FCAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000645239980 492882797 /nfs/dbraw/zinc/88/27/97/492882797.db2.gz UENLNIFHBLKYDW-AWEZNQCLSA-N 2 2 350.467 0.801 10 0 FCAELP C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631917832 492883894 /nfs/dbraw/zinc/88/38/94/492883894.db2.gz PMMGLGOQSVCTOL-INIZCTEOSA-N 2 2 356.492 0.106 10 0 FCAELP C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631917832 492883898 /nfs/dbraw/zinc/88/38/98/492883898.db2.gz PMMGLGOQSVCTOL-INIZCTEOSA-N 2 2 356.492 0.106 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000658426575 492884204 /nfs/dbraw/zinc/88/42/04/492884204.db2.gz HYHTUQYAGXBLFI-UHFFFAOYSA-N 2 2 362.474 0.950 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000658426575 492884207 /nfs/dbraw/zinc/88/42/07/492884207.db2.gz HYHTUQYAGXBLFI-UHFFFAOYSA-N 2 2 362.474 0.950 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cccnc1-n1cccn1 ZINC000658427137 492885309 /nfs/dbraw/zinc/88/53/09/492885309.db2.gz MICVHWLJTWVSII-UHFFFAOYSA-N 2 2 373.461 0.206 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccnc1-n1cccn1 ZINC000658427137 492885311 /nfs/dbraw/zinc/88/53/11/492885311.db2.gz MICVHWLJTWVSII-UHFFFAOYSA-N 2 2 373.461 0.206 10 0 FCAELP [NH3+]CC1(CCNC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000652143057 492885819 /nfs/dbraw/zinc/88/58/19/492885819.db2.gz MJKORIUEJBQWPF-UHFFFAOYSA-N 2 2 374.489 0.549 10 0 FCAELP COc1cc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1F ZINC000658429422 492886610 /nfs/dbraw/zinc/88/66/10/492886610.db2.gz VZRBNJHKKOKMFT-UHFFFAOYSA-N 2 2 354.426 0.773 10 0 FCAELP COc1cc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1F ZINC000658429422 492886613 /nfs/dbraw/zinc/88/66/13/492886613.db2.gz VZRBNJHKKOKMFT-UHFFFAOYSA-N 2 2 354.426 0.773 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1nc(C2CC2)cs1 ZINC000658429433 492886919 /nfs/dbraw/zinc/88/69/19/492886919.db2.gz WMYIFEBZDXOKGM-UHFFFAOYSA-N 2 2 353.492 0.959 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1nc(C2CC2)cs1 ZINC000658429433 492886924 /nfs/dbraw/zinc/88/69/24/492886924.db2.gz WMYIFEBZDXOKGM-UHFFFAOYSA-N 2 2 353.492 0.959 10 0 FCAELP CCN1C(=O)CO[C@H](C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)[C@H]1c1[nH+]ccn1C ZINC000625801764 492889262 /nfs/dbraw/zinc/88/92/62/492889262.db2.gz KYTBJOZZHWOLGC-VRKREXBASA-N 2 2 363.462 0.307 10 0 FCAELP CCN1C(=O)CO[C@H](C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)[C@H]1c1[nH+]ccn1C ZINC000625801764 492889265 /nfs/dbraw/zinc/88/92/65/492889265.db2.gz KYTBJOZZHWOLGC-VRKREXBASA-N 2 2 363.462 0.307 10 0 FCAELP C[N@@H+]1CC[C@H](NS(=O)(=O)C[C@H]2C[NH2+]CCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000631928854 492890595 /nfs/dbraw/zinc/89/05/95/492890595.db2.gz PGPARUWSVHNCFP-PMPSAXMXSA-N 2 2 373.906 0.993 10 0 FCAELP C[N@H+]1CC[C@H](NS(=O)(=O)C[C@H]2C[NH2+]CCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000631928854 492890597 /nfs/dbraw/zinc/89/05/97/492890597.db2.gz PGPARUWSVHNCFP-PMPSAXMXSA-N 2 2 373.906 0.993 10 0 FCAELP CCc1ccc([C@@H]2C[NH2+]CCN2S(=O)(=O)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000631935674 492891395 /nfs/dbraw/zinc/89/13/95/492891395.db2.gz LACNHDLPGOQZKG-IRXDYDNUSA-N 2 2 353.488 0.514 10 0 FCAELP Cc1c[nH+]cn1CC(=O)NC[C@H]1CCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC000625814138 492891877 /nfs/dbraw/zinc/89/18/77/492891877.db2.gz RTCOUHHHUMERKT-HZPDHXFCSA-N 2 2 358.446 0.798 10 0 FCAELP Cc1c[nH+]cn1CC(=O)NCC(C)(C)CN(C)C(=O)Cn1c[nH+]cc1C ZINC000625966012 492909971 /nfs/dbraw/zinc/90/99/71/492909971.db2.gz BVEDNTNMJYTTIH-UHFFFAOYSA-N 2 2 360.462 0.997 10 0 FCAELP CN1CC[N@H+](C)C[C@H]1CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638140141 492917715 /nfs/dbraw/zinc/91/77/15/492917715.db2.gz VUNBYHDSTOIOCL-LJQANCHMSA-N 3 2 373.545 0.732 10 0 FCAELP CN1CC[N@@H+](C)C[C@H]1CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638140141 492917720 /nfs/dbraw/zinc/91/77/20/492917720.db2.gz VUNBYHDSTOIOCL-LJQANCHMSA-N 3 2 373.545 0.732 10 0 FCAELP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000652387946 492921169 /nfs/dbraw/zinc/92/11/69/492921169.db2.gz HVTQCHJRLDHAJS-UHFFFAOYSA-N 2 2 361.490 0.824 10 0 FCAELP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000652387946 492921173 /nfs/dbraw/zinc/92/11/73/492921173.db2.gz HVTQCHJRLDHAJS-UHFFFAOYSA-N 2 2 361.490 0.824 10 0 FCAELP O[C@H](CN1CC[NH+](Cc2cc3ccccc3[nH]2)CC1)C[NH+]1CCOCC1 ZINC000626074409 492925832 /nfs/dbraw/zinc/92/58/32/492925832.db2.gz XNRRRPCBVHIXSB-LJQANCHMSA-N 2 2 358.486 0.979 10 0 FCAELP C[C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C)N1CC[NH2+]CC1=O ZINC000638285841 492928452 /nfs/dbraw/zinc/92/84/52/492928452.db2.gz NIHLBLZIWCXVIG-IRXDYDNUSA-N 2 2 358.486 0.930 10 0 FCAELP C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)N1CC[NH2+]CC1=O ZINC000638285841 492928454 /nfs/dbraw/zinc/92/84/54/492928454.db2.gz NIHLBLZIWCXVIG-IRXDYDNUSA-N 2 2 358.486 0.930 10 0 FCAELP CN(C(=O)C1CS(=O)(=O)C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000632101396 492929360 /nfs/dbraw/zinc/92/93/60/492929360.db2.gz VRPAKVQLAHFKNC-SJORKVTESA-N 2 2 371.547 0.827 10 0 FCAELP CN(C(=O)C1CS(=O)(=O)C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000632101396 492929363 /nfs/dbraw/zinc/92/93/63/492929363.db2.gz VRPAKVQLAHFKNC-SJORKVTESA-N 2 2 371.547 0.827 10 0 FCAELP C[N@@H+]1CCO[C@@H](CS(=O)(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000632178127 492944960 /nfs/dbraw/zinc/94/49/60/492944960.db2.gz LHYZQFAHGVNRMS-QGZVFWFLSA-N 2 2 368.503 0.548 10 0 FCAELP C[N@H+]1CCO[C@@H](CS(=O)(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000632178127 492944963 /nfs/dbraw/zinc/94/49/63/492944963.db2.gz LHYZQFAHGVNRMS-QGZVFWFLSA-N 2 2 368.503 0.548 10 0 FCAELP Cc1cc(CNS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)cc(N2CCCC2)[nH+]1 ZINC000632345723 492979672 /nfs/dbraw/zinc/97/96/72/492979672.db2.gz SOKSHRWMRJOGLT-MRXNPFEDSA-N 2 2 368.503 0.740 10 0 FCAELP Cc1cc(CNS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)cc(N2CCCC2)[nH+]1 ZINC000632345723 492979674 /nfs/dbraw/zinc/97/96/74/492979674.db2.gz SOKSHRWMRJOGLT-MRXNPFEDSA-N 2 2 368.503 0.740 10 0 FCAELP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C[C@H]1C[NH3+] ZINC000652730631 493008472 /nfs/dbraw/zinc/00/84/72/493008472.db2.gz JUCUSWYDJKTOIG-LVQVYYBASA-N 2 2 363.462 0.115 10 0 FCAELP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C[C@H]1C[NH3+] ZINC000652730630 493008551 /nfs/dbraw/zinc/00/85/51/493008551.db2.gz JUCUSWYDJKTOIG-KLHDSHLOSA-N 2 2 363.462 0.115 10 0 FCAELP C[NH+](C)C1(CS(=O)(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC000632568940 493030837 /nfs/dbraw/zinc/03/08/37/493030837.db2.gz UUDQJRMGXZKCGQ-HUUCEWRRSA-N 2 2 357.520 0.643 10 0 FCAELP CCC(CC)[C@@H](C(=O)N1CC(C[NH+]2CCOCC2)C1)[NH+]1CCOCC1 ZINC000646356612 493043351 /nfs/dbraw/zinc/04/33/51/493043351.db2.gz CKDDYDMRTWDQSV-SFHVURJKSA-N 2 2 353.507 0.914 10 0 FCAELP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000626911791 493060850 /nfs/dbraw/zinc/06/08/50/493060850.db2.gz PXVWPSXSMFZENP-CQSZACIVSA-N 2 2 362.430 0.646 10 0 FCAELP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000626913330 493061614 /nfs/dbraw/zinc/06/16/14/493061614.db2.gz XXMHSYWJWFJFDQ-MRXNPFEDSA-N 2 2 371.441 0.890 10 0 FCAELP [NH3+]CCCOCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000626921235 493063972 /nfs/dbraw/zinc/06/39/72/493063972.db2.gz VANZQDIKMBVWLR-QGZVFWFLSA-N 2 2 350.463 0.552 10 0 FCAELP [NH3+]CCCOCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000626921235 493063975 /nfs/dbraw/zinc/06/39/75/493063975.db2.gz VANZQDIKMBVWLR-QGZVFWFLSA-N 2 2 350.463 0.552 10 0 FCAELP C[NH2+]CCOCCN(C)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000626931806 493066861 /nfs/dbraw/zinc/06/68/61/493066861.db2.gz BGWLCYANGYTONC-UHFFFAOYSA-N 2 2 351.451 0.296 10 0 FCAELP C[C@H]1CC[C@@H](NC(=O)NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)C[NH2+]1 ZINC000626971072 493071908 /nfs/dbraw/zinc/07/19/08/493071908.db2.gz XYALPBLFPSAOKE-XJKSGUPXSA-N 2 2 374.489 0.723 10 0 FCAELP O=C(CCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000653114884 493072476 /nfs/dbraw/zinc/07/24/76/493072476.db2.gz ZTLYIFVYPKEJJM-SJORKVTESA-N 2 2 371.485 0.767 10 0 FCAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000626976597 493073046 /nfs/dbraw/zinc/07/30/46/493073046.db2.gz HQACWUGWLPEPTM-DOTOQJQBSA-N 2 2 365.522 0.761 10 0 FCAELP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000653137717 493077120 /nfs/dbraw/zinc/07/71/20/493077120.db2.gz PDEAWKGOKKXSNQ-CYBMUJFWSA-N 2 2 359.396 0.714 10 0 FCAELP O=C(NCCC1=CC[NH2+]CC1)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000627091461 493087489 /nfs/dbraw/zinc/08/74/89/493087489.db2.gz QSPKOORKSYMEEU-SFHVURJKSA-N 2 2 359.474 0.891 10 0 FCAELP O=C(NCCC1=CC[NH2+]CC1)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000627091461 493087493 /nfs/dbraw/zinc/08/74/93/493087493.db2.gz QSPKOORKSYMEEU-SFHVURJKSA-N 2 2 359.474 0.891 10 0 FCAELP O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000627120070 493090990 /nfs/dbraw/zinc/09/09/90/493090990.db2.gz ZHCALKLUHXEILK-IAGOWNOFSA-N 2 2 359.474 0.724 10 0 FCAELP O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000627120070 493090993 /nfs/dbraw/zinc/09/09/93/493090993.db2.gz ZHCALKLUHXEILK-IAGOWNOFSA-N 2 2 359.474 0.724 10 0 FCAELP [NH3+]C1(CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)CCOCC1 ZINC000627148224 493096640 /nfs/dbraw/zinc/09/66/40/493096640.db2.gz SLDUNHRNYINVCP-MSOLQXFVSA-N 2 2 374.485 0.789 10 0 FCAELP [NH3+]C1(CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)CCOCC1 ZINC000627148224 493096644 /nfs/dbraw/zinc/09/66/44/493096644.db2.gz SLDUNHRNYINVCP-MSOLQXFVSA-N 2 2 374.485 0.789 10 0 FCAELP C[C@H]1CC[C@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[NH2+]1 ZINC000627196724 493106237 /nfs/dbraw/zinc/10/62/37/493106237.db2.gz VJYFOQBMXLIHGO-STQMWFEESA-N 2 2 358.450 0.335 10 0 FCAELP Cc1cn2ccc(NC(=O)C(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)cc2[nH+]1 ZINC000658902567 493107343 /nfs/dbraw/zinc/10/73/43/493107343.db2.gz BVDRBXPGTMFGNY-MRXNPFEDSA-N 2 2 371.441 0.639 10 0 FCAELP Cc1cn2ccc(NC(=O)C(=O)N3CCC([N@H+]4CC[C@@H](O)C4)CC3)cc2[nH+]1 ZINC000658902567 493107345 /nfs/dbraw/zinc/10/73/45/493107345.db2.gz BVDRBXPGTMFGNY-MRXNPFEDSA-N 2 2 371.441 0.639 10 0 FCAELP O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000627224928 493109917 /nfs/dbraw/zinc/10/99/17/493109917.db2.gz QUUANOJOSMJDGS-QZTJIDSGSA-N 2 2 359.474 0.818 10 0 FCAELP O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000627224928 493109918 /nfs/dbraw/zinc/10/99/18/493109918.db2.gz QUUANOJOSMJDGS-QZTJIDSGSA-N 2 2 359.474 0.818 10 0 FCAELP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000633095370 493122424 /nfs/dbraw/zinc/12/24/24/493122424.db2.gz SPRAJFOSHRXBFC-MRXNPFEDSA-N 2 2 354.495 0.286 10 0 FCAELP C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[NH2+]1 ZINC000627290416 493135461 /nfs/dbraw/zinc/13/54/61/493135461.db2.gz PDLSJRAOTNYSGB-KBAYOESNSA-N 2 2 374.485 0.260 10 0 FCAELP C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[NH2+]1 ZINC000627290416 493135467 /nfs/dbraw/zinc/13/54/67/493135467.db2.gz PDLSJRAOTNYSGB-KBAYOESNSA-N 2 2 374.485 0.260 10 0 FCAELP O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627293061 493136760 /nfs/dbraw/zinc/13/67/60/493136760.db2.gz KSZAVZCDQWQEKN-MRXNPFEDSA-N 2 2 353.426 0.889 10 0 FCAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000627317768 493150079 /nfs/dbraw/zinc/15/00/79/493150079.db2.gz XJWMFHRALFWWQE-XHSDSOJGSA-N 2 2 355.442 0.882 10 0 FCAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000627327620 493155720 /nfs/dbraw/zinc/15/57/20/493155720.db2.gz DKHHEDKQMJRXFB-DLBZAZTESA-N 2 2 369.469 0.999 10 0 FCAELP c1cc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)n(-c2ccccn2)n1 ZINC000647183867 493173836 /nfs/dbraw/zinc/17/38/36/493173836.db2.gz QLLJTYXNPGQZSN-KRWDZBQOSA-N 2 2 356.474 0.763 10 0 FCAELP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N[C@H]1CCN(c3cccc[nH+]3)C1)C2 ZINC000627387646 493194377 /nfs/dbraw/zinc/19/43/77/493194377.db2.gz WGXDRWMJYZPOKO-ZOCIIQOWSA-N 2 2 357.458 0.235 10 0 FCAELP Cc1cc(NCCNC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)nc(C(C)C)[nH+]1 ZINC000627416025 493209025 /nfs/dbraw/zinc/20/90/25/493209025.db2.gz JCXSRUWGOUXXIY-AWEZNQCLSA-N 2 2 362.478 0.695 10 0 FCAELP Cc1cc(NCCNC(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)nc(C(C)C)[nH+]1 ZINC000627420238 493210283 /nfs/dbraw/zinc/21/02/83/493210283.db2.gz CECVERYTAHKGIX-KGLIPLIRSA-N 2 2 362.478 0.680 10 0 FCAELP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659546059 493210526 /nfs/dbraw/zinc/21/05/26/493210526.db2.gz ZZUOTSKKPBXXBD-DAWZGUTISA-N 2 2 365.522 0.319 10 0 FCAELP O=C(NC1CCC([NH+]2CCNCC2)CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659546059 493210529 /nfs/dbraw/zinc/21/05/29/493210529.db2.gz ZZUOTSKKPBXXBD-DAWZGUTISA-N 2 2 365.522 0.319 10 0 FCAELP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000659553517 493211181 /nfs/dbraw/zinc/21/11/81/493211181.db2.gz IXJBARKHHSUJLD-MSOLQXFVSA-N 2 2 361.490 0.090 10 0 FCAELP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000659553517 493211184 /nfs/dbraw/zinc/21/11/84/493211184.db2.gz IXJBARKHHSUJLD-MSOLQXFVSA-N 2 2 361.490 0.090 10 0 FCAELP Cc1cc(NCCNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])nc(C(C)C)[nH+]1 ZINC000627422837 493211884 /nfs/dbraw/zinc/21/18/84/493211884.db2.gz WOTHSEWRUBMVMY-RYUDHWBXSA-N 2 2 350.467 0.679 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659629248 493223101 /nfs/dbraw/zinc/22/31/01/493223101.db2.gz DDUZWVCMNIMMSE-UHFFFAOYSA-N 2 2 357.418 0.376 10 0 FCAELP C[NH+](C)[C@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)c1ccccc1Cl ZINC000659675432 493245698 /nfs/dbraw/zinc/24/56/98/493245698.db2.gz ULGFCLBPVQWQEI-HBSPSFQMSA-N 2 2 364.877 0.927 10 0 FCAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659676931 493246580 /nfs/dbraw/zinc/24/65/80/493246580.db2.gz HJVYXYCMTPDDJC-UHFFFAOYSA-N 2 2 355.442 0.719 10 0 FCAELP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N1CC2CC1(C[NH3+])C2)c1ccccc1F ZINC000659683137 493250097 /nfs/dbraw/zinc/25/00/97/493250097.db2.gz OFMBOODSRHSLNB-WXYZLBAPSA-N 2 2 371.416 0.715 10 0 FCAELP C[NH+]1CCN(c2cc(C(=O)N3CC[N@H+](CCO)C(C)(C)C3)ccn2)CC1 ZINC000682012307 493264045 /nfs/dbraw/zinc/26/40/45/493264045.db2.gz QJBOQWQPNHDXQT-UHFFFAOYSA-N 2 2 361.490 0.362 10 0 FCAELP C[NH+]1CCN(c2cc(C(=O)N3CC[N@@H+](CCO)C(C)(C)C3)ccn2)CC1 ZINC000682012307 493264050 /nfs/dbraw/zinc/26/40/50/493264050.db2.gz QJBOQWQPNHDXQT-UHFFFAOYSA-N 2 2 361.490 0.362 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000659720426 493270987 /nfs/dbraw/zinc/27/09/87/493270987.db2.gz GKAXCCAPMBMJLR-UHFFFAOYSA-N 2 2 371.485 0.735 10 0 FCAELP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000659723461 493272908 /nfs/dbraw/zinc/27/29/08/493272908.db2.gz NCJZILWEDCPQBV-YOEHRIQHSA-N 2 2 360.458 0.256 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000659742445 493282274 /nfs/dbraw/zinc/28/22/74/493282274.db2.gz RLKWGBHMAAOWJP-FVWXCPNNSA-N 2 2 356.470 0.588 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000659742445 493282277 /nfs/dbraw/zinc/28/22/77/493282277.db2.gz RLKWGBHMAAOWJP-FVWXCPNNSA-N 2 2 356.470 0.588 10 0 FCAELP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659743487 493282508 /nfs/dbraw/zinc/28/25/08/493282508.db2.gz NPQZJRACJFAJGY-WRSVWVKZSA-N 2 2 362.499 0.822 10 0 FCAELP C[NH+](C)CCC[C@H]1CN(S(=O)(=O)CCC[NH+]2CCOCC2)CCO1 ZINC000660157582 493330964 /nfs/dbraw/zinc/33/09/64/493330964.db2.gz QEIOKVZHVLHNCZ-INIZCTEOSA-N 2 2 363.524 0.081 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CN3C(=O)Cc4ccccc43)C2)CC1 ZINC000668640670 493388813 /nfs/dbraw/zinc/38/88/13/493388813.db2.gz VINWSCBARWPXMO-INIZCTEOSA-N 2 2 356.470 0.860 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CN3C(=O)Cc4ccccc43)C2)CC1 ZINC000668640670 493388815 /nfs/dbraw/zinc/38/88/15/493388815.db2.gz VINWSCBARWPXMO-INIZCTEOSA-N 2 2 356.470 0.860 10 0 FCAELP O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000684181920 493399983 /nfs/dbraw/zinc/39/99/83/493399983.db2.gz HRFSQUJCXAJVDR-IRXDYDNUSA-N 2 2 361.465 0.848 10 0 FCAELP CN(C[C@@H](O)C[N@H+](C)Cc1ccccc1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000674390914 493412298 /nfs/dbraw/zinc/41/22/98/493412298.db2.gz DIDIMZKDJFHBTH-RBUKOAKNSA-N 2 2 351.491 0.104 10 0 FCAELP CN(C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000674390914 493412299 /nfs/dbraw/zinc/41/22/99/493412299.db2.gz DIDIMZKDJFHBTH-RBUKOAKNSA-N 2 2 351.491 0.104 10 0 FCAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000674390914 493412303 /nfs/dbraw/zinc/41/23/03/493412303.db2.gz DIDIMZKDJFHBTH-RBUKOAKNSA-N 2 2 351.491 0.104 10 0 FCAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000674390914 493412305 /nfs/dbraw/zinc/41/23/05/493412305.db2.gz DIDIMZKDJFHBTH-RBUKOAKNSA-N 2 2 351.491 0.104 10 0 FCAELP C[NH+](C[C@@H](O)CN1CCOCC1)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000674390914 493412307 /nfs/dbraw/zinc/41/23/07/493412307.db2.gz DIDIMZKDJFHBTH-RBUKOAKNSA-N 2 2 351.491 0.104 10 0 FCAELP C[NH+](C[C@@H](O)CN1CCOCC1)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000674390914 493412310 /nfs/dbraw/zinc/41/23/10/493412310.db2.gz DIDIMZKDJFHBTH-RBUKOAKNSA-N 2 2 351.491 0.104 10 0 FCAELP C[C@H]([C@H](C)NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)[NH+]1CCOCC1 ZINC000668828500 493417023 /nfs/dbraw/zinc/41/70/23/493417023.db2.gz CXJSBRDMHPCMKD-ZNMIVQPWSA-N 2 2 354.495 0.201 10 0 FCAELP C[C@H]([C@H](C)NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)[NH+]1CCOCC1 ZINC000668828500 493417026 /nfs/dbraw/zinc/41/70/26/493417026.db2.gz CXJSBRDMHPCMKD-ZNMIVQPWSA-N 2 2 354.495 0.201 10 0 FCAELP CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000661214803 493418922 /nfs/dbraw/zinc/41/89/22/493418922.db2.gz BFIHTCZAUXRJCC-ZACQAIPSSA-N 2 2 371.522 0.369 10 0 FCAELP CCN(C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)[C@H]1CC[N@H+](CC)C1 ZINC000668868203 493425570 /nfs/dbraw/zinc/42/55/70/493425570.db2.gz ZYOSZZBEGSANMN-ZDUSSCGKSA-N 2 2 350.467 0.045 10 0 FCAELP CCN(C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)[C@H]1CC[N@@H+](CC)C1 ZINC000668868203 493425572 /nfs/dbraw/zinc/42/55/72/493425572.db2.gz ZYOSZZBEGSANMN-ZDUSSCGKSA-N 2 2 350.467 0.045 10 0 FCAELP C[C@@H]1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)O1 ZINC000668910426 493436034 /nfs/dbraw/zinc/43/60/34/493436034.db2.gz HVVGSHKTAWULPH-INMHGKMJSA-N 2 2 366.506 0.345 10 0 FCAELP C[C@@H]1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)O1 ZINC000668910426 493436035 /nfs/dbraw/zinc/43/60/35/493436035.db2.gz HVVGSHKTAWULPH-INMHGKMJSA-N 2 2 366.506 0.345 10 0 FCAELP COCCCS(=O)(=O)N1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662279076 493502444 /nfs/dbraw/zinc/50/24/44/493502444.db2.gz FNKZJDHENLYXQU-UHFFFAOYSA-N 2 2 367.515 0.816 10 0 FCAELP C[NH+](C)CCC[C@H]1C[N@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)CCO1 ZINC000662320339 493505941 /nfs/dbraw/zinc/50/59/41/493505941.db2.gz BCYPVKNFKXQLRX-KRWDZBQOSA-N 2 2 366.506 0.110 10 0 FCAELP C[NH+](C)CCC[C@H]1C[N@@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)CCO1 ZINC000662320339 493505944 /nfs/dbraw/zinc/50/59/44/493505944.db2.gz BCYPVKNFKXQLRX-KRWDZBQOSA-N 2 2 366.506 0.110 10 0 FCAELP O=C(C[C@H]1[NH2+]Cc2ccccc21)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000662463969 493517820 /nfs/dbraw/zinc/51/78/20/493517820.db2.gz ASPXXAMSMQWHAZ-SJLPKXTDSA-N 2 2 372.469 0.270 10 0 FCAELP C[C@H]([C@H](C)NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[NH+]1CCOCC1 ZINC000676094572 493523353 /nfs/dbraw/zinc/52/33/53/493523353.db2.gz JZJCWFLHRSEOCV-UONOGXRCSA-N 2 2 372.429 0.431 10 0 FCAELP C[C@@H](NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[C@H](C)[NH+]1CCOCC1 ZINC000676094571 493523508 /nfs/dbraw/zinc/52/35/08/493523508.db2.gz JZJCWFLHRSEOCV-KGLIPLIRSA-N 2 2 372.429 0.431 10 0 FCAELP CC[NH+](CC)CCN(C(=O)[C@@H]([NH3+])COC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000662785832 493542119 /nfs/dbraw/zinc/54/21/19/493542119.db2.gz MJRKRRHQBOGROV-CABCVRRESA-N 2 2 363.524 0.096 10 0 FCAELP C[C@@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662833627 493545432 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365.503 0.352 10 0 FCAELP C[C@@H](CCNC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)[NH+](C)C ZINC000664632380 493674009 /nfs/dbraw/zinc/67/40/09/493674009.db2.gz RRCSTGLSEJWKHA-UONOGXRCSA-N 2 2 350.467 0.551 10 0 FCAELP CCN(C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)[C@H]1CC[N@H+](C)C1 ZINC000664631989 493674110 /nfs/dbraw/zinc/67/41/10/493674110.db2.gz OADUNDZCYQTVBJ-GJZGRUSLSA-N 2 2 362.478 0.647 10 0 FCAELP CCN(C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)[C@H]1CC[N@@H+](C)C1 ZINC000664631989 493674112 /nfs/dbraw/zinc/67/41/12/493674112.db2.gz OADUNDZCYQTVBJ-GJZGRUSLSA-N 2 2 362.478 0.647 10 0 FCAELP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000679308657 493674202 /nfs/dbraw/zinc/67/42/02/493674202.db2.gz XPDSZVRIQNNCJW-INIZCTEOSA-N 2 2 370.457 0.404 10 0 FCAELP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000679308657 493674203 /nfs/dbraw/zinc/67/42/03/493674203.db2.gz XPDSZVRIQNNCJW-INIZCTEOSA-N 2 2 370.457 0.404 10 0 FCAELP 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ZINC000177503084 663985078 /nfs/dbraw/zinc/98/50/78/663985078.db2.gz SNMPQCNUKADGRB-INIZCTEOSA-N 2 2 374.551 0.621 10 0 FCAELP CC[NH+]1CCN(C(=O)CC2CC[NH+](CN3CCOC3=S)CC2)CC1 ZINC000066450388 664021841 /nfs/dbraw/zinc/02/18/41/664021841.db2.gz GZWUSUUJBHECDH-UHFFFAOYSA-N 2 2 354.520 0.827 10 0 FCAELP CN(CCCN1CC[NH+](C)CC1)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925156067 665174158 /nfs/dbraw/zinc/17/41/58/665174158.db2.gz IMNCNDNKNPDULB-IRXDYDNUSA-N 2 2 369.579 0.845 10 0 FCAELP CN(CCCN1CC[NH+](C)CC1)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000925156067 665174159 /nfs/dbraw/zinc/17/41/59/665174159.db2.gz IMNCNDNKNPDULB-IRXDYDNUSA-N 2 2 369.579 0.845 10 0 FCAELP CN(CCC[NH+]1CCN(C)CC1)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925156067 665174161 /nfs/dbraw/zinc/17/41/61/665174161.db2.gz IMNCNDNKNPDULB-IRXDYDNUSA-N 2 2 369.579 0.845 10 0 FCAELP CN(CCC[NH+]1CCN(C)CC1)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000925156067 665174162 /nfs/dbraw/zinc/17/41/62/665174162.db2.gz IMNCNDNKNPDULB-IRXDYDNUSA-N 2 2 369.579 0.845 10 0 FCAELP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)[C@H](C)C1 ZINC000925159891 665175147 /nfs/dbraw/zinc/17/51/47/665175147.db2.gz JLQZUCSKPNZSEC-QXSJWSMHSA-N 2 2 356.536 0.663 10 0 FCAELP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)[C@H](C)C1 ZINC000925159891 665175148 /nfs/dbraw/zinc/17/51/48/665175148.db2.gz JLQZUCSKPNZSEC-QXSJWSMHSA-N 2 2 356.536 0.663 10 0 FCAELP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)[C@H](C)C1 ZINC000925159891 665175150 /nfs/dbraw/zinc/17/51/50/665175150.db2.gz JLQZUCSKPNZSEC-QXSJWSMHSA-N 2 2 356.536 0.663 10 0 FCAELP C/C(=C/C(=O)N1CCC([N@@H+]2CCCOCC2)CC1)C[NH+]1CCOCC1 ZINC000910366541 666243645 /nfs/dbraw/zinc/24/36/45/666243645.db2.gz NCLIMGZLWRJZMV-ICFOKQHNSA-N 2 2 351.491 0.978 10 0 FCAELP C/C(=C/C(=O)N1CCC([N@H+]2CCCOCC2)CC1)C[NH+]1CCOCC1 ZINC000910366541 666243647 /nfs/dbraw/zinc/24/36/47/666243647.db2.gz NCLIMGZLWRJZMV-ICFOKQHNSA-N 2 2 351.491 0.978 10 0 FCAELP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000069034777 666494325 /nfs/dbraw/zinc/49/43/25/666494325.db2.gz RFQUFMJUQPGPHZ-OAHLLOKOSA-N 2 2 374.551 0.669 10 0 FCAELP C[C@@H]1CCCC[N@H+]1CCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000069034777 666494327 /nfs/dbraw/zinc/49/43/27/666494327.db2.gz RFQUFMJUQPGPHZ-OAHLLOKOSA-N 2 2 374.551 0.669 10 0 FCAELP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000929928432 667000990 /nfs/dbraw/zinc/00/09/90/667000990.db2.gz AZXNEYXQIHEAFQ-LBPRGKRZSA-N 2 2 355.508 0.667 10 0 FCAELP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000929928432 667000994 /nfs/dbraw/zinc/00/09/94/667000994.db2.gz AZXNEYXQIHEAFQ-LBPRGKRZSA-N 2 2 355.508 0.667 10 0 FCAELP C[NH+]1CCN(CCCCNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000919500271 667180802 /nfs/dbraw/zinc/18/08/02/667180802.db2.gz ARSQFLSSZUPAQG-IRXDYDNUSA-N 2 2 369.579 0.893 10 0 FCAELP C[NH+]1CCN(CCCCNC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000919500271 667180806 /nfs/dbraw/zinc/18/08/06/667180806.db2.gz ARSQFLSSZUPAQG-IRXDYDNUSA-N 2 2 369.579 0.893 10 0 FCAELP C[NH+]1CCN(CCCCNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000919500272 667180875 /nfs/dbraw/zinc/18/08/75/667180875.db2.gz ARSQFLSSZUPAQG-SJORKVTESA-N 2 2 369.579 0.893 10 0 FCAELP C[NH+]1CCN(CCCCNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000919500272 667180878 /nfs/dbraw/zinc/18/08/78/667180878.db2.gz ARSQFLSSZUPAQG-SJORKVTESA-N 2 2 369.579 0.893 10 0 FCAELP O=C(CN1CCC[C@H]([NH2+]CCO)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000923407466 667832963 /nfs/dbraw/zinc/83/29/63/667832963.db2.gz MYMGZJRKVPGPCJ-INIZCTEOSA-N 2 2 366.531 0.439 10 0 FCAELP C[C@@H]1C[N@H+](CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)CC[C@@H]1C[NH3+] ZINC000923499146 667841657 /nfs/dbraw/zinc/84/16/57/667841657.db2.gz KKOSSPHXBYMEDO-INMHGKMJSA-N 2 2 371.547 0.861 10 0 FCAELP C[C@@H]1C[N@@H+](CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)CC[C@@H]1C[NH3+] ZINC000923499146 667841665 /nfs/dbraw/zinc/84/16/65/667841665.db2.gz KKOSSPHXBYMEDO-INMHGKMJSA-N 2 2 371.547 0.861 10 0 FCAELP C[C@@H]1C[N@H+](CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)CC[C@H]1C[NH3+] ZINC000923499147 667841963 /nfs/dbraw/zinc/84/19/63/667841963.db2.gz KKOSSPHXBYMEDO-VYDXJSESSA-N 2 2 371.547 0.861 10 0 FCAELP C[C@@H]1C[N@@H+](CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)CC[C@H]1C[NH3+] ZINC000923499147 667841964 /nfs/dbraw/zinc/84/19/64/667841964.db2.gz KKOSSPHXBYMEDO-VYDXJSESSA-N 2 2 371.547 0.861 10 0 FCAELP O[C@H](C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(F)ccc1F ZINC000819077430 668977032 /nfs/dbraw/zinc/97/70/32/668977032.db2.gz KTJJFVHGCFMYPW-CRAIPNDOSA-N 2 2 355.429 0.994 10 0 FCAELP C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)C2 ZINC000821025406 669150724 /nfs/dbraw/zinc/15/07/24/669150724.db2.gz FSXLUSFLLTXGLN-AOIWGVFYSA-N 2 2 351.491 0.811 10 0 FCAELP C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)C2 ZINC000821025406 669150729 /nfs/dbraw/zinc/15/07/29/669150729.db2.gz FSXLUSFLLTXGLN-AOIWGVFYSA-N 2 2 351.491 0.811 10 0 FCAELP [NH3+]CCCCCCNC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000843261559 670790014 /nfs/dbraw/zinc/79/00/14/670790014.db2.gz MHKUSDUQKGSBCD-MRXNPFEDSA-N 2 2 354.495 0.335 10 0 FCAELP O=S(=O)(CC[NH+]1CC[C@@H]2COC[C@@H]2C1)CC[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000852666383 671517975 /nfs/dbraw/zinc/51/79/75/671517975.db2.gz NHRUPGHHUNRWIP-FZDBZEDMSA-N 2 2 372.531 0.338 10 0 FCAELP O=S(=O)(CC[NH+]1CC[C@@H]2COC[C@@H]2C1)CC[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000852666383 671517977 /nfs/dbraw/zinc/51/79/77/671517977.db2.gz NHRUPGHHUNRWIP-FZDBZEDMSA-N 2 2 372.531 0.338 10 0 FCAELP O=S(=O)(CC[NH+]1CC[C@H]2COC[C@H]2C1)CC[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000852666383 671517978 /nfs/dbraw/zinc/51/79/78/671517978.db2.gz NHRUPGHHUNRWIP-FZDBZEDMSA-N 2 2 372.531 0.338 10 0 FCAELP O=S(=O)(CC[NH+]1CC[C@H]2COC[C@H]2C1)CC[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000852666383 671517979 /nfs/dbraw/zinc/51/79/79/671517979.db2.gz NHRUPGHHUNRWIP-FZDBZEDMSA-N 2 2 372.531 0.338 10 0 FCAELP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857885113 671744991 /nfs/dbraw/zinc/74/49/91/671744991.db2.gz OSWSOOAEABMNGY-JSGCOSHPSA-N 2 2 351.451 0.769 10 0 FCAELP Cn1cnc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1Cl ZINC000903560970 675944479 /nfs/dbraw/zinc/94/44/79/675944479.db2.gz AIAQJHXWLSHOBA-BETUJISGSA-N 2 2 373.910 0.663 10 0 FCAELP Cn1cnc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1Cl ZINC000903560970 675944480 /nfs/dbraw/zinc/94/44/80/675944480.db2.gz AIAQJHXWLSHOBA-BETUJISGSA-N 2 2 373.910 0.663 10 0 FCAELP CCn1cc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cn1 ZINC000903562393 675944977 /nfs/dbraw/zinc/94/49/77/675944977.db2.gz LHPXEUMODYCWDP-GASCZTMLSA-N 2 2 353.492 0.492 10 0 FCAELP CCn1cc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cn1 ZINC000903562393 675944978 /nfs/dbraw/zinc/94/49/78/675944978.db2.gz LHPXEUMODYCWDP-GASCZTMLSA-N 2 2 353.492 0.492 10 0 FCAELP Cn1c(Cl)ncc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562634 675945259 /nfs/dbraw/zinc/94/52/59/675945259.db2.gz RHCRTSKXJYBKOD-BETUJISGSA-N 2 2 373.910 0.663 10 0 FCAELP Cn1c(Cl)ncc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562634 675945261 /nfs/dbraw/zinc/94/52/61/675945261.db2.gz RHCRTSKXJYBKOD-BETUJISGSA-N 2 2 373.910 0.663 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)/C=C\c1ccc(S(C)(=O)=O)o1 ZINC000862171584 672033794 /nfs/dbraw/zinc/03/37/94/672033794.db2.gz HNQWFNIFJSYKPF-VURMDHGXSA-N 2 2 357.476 0.696 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)/C=C\c1ccc(S(C)(=O)=O)o1 ZINC000862171584 672033798 /nfs/dbraw/zinc/03/37/98/672033798.db2.gz HNQWFNIFJSYKPF-VURMDHGXSA-N 2 2 357.476 0.696 10 0 FCAELP Cc1[nH+]ccn1CCCC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000862645167 672060912 /nfs/dbraw/zinc/06/09/12/672060912.db2.gz VETNOEJLHLTPHH-GOSISDBHSA-N 2 2 350.463 0.704 10 0 FCAELP Cc1[nH+]ccn1CCCC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000862645167 672060915 /nfs/dbraw/zinc/06/09/15/672060915.db2.gz VETNOEJLHLTPHH-GOSISDBHSA-N 2 2 350.463 0.704 10 0 FCAELP CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@@]1(CO)COCC2(CCC2)[NH+]1C ZINC000863210927 672104836 /nfs/dbraw/zinc/10/48/36/672104836.db2.gz SPDXYCPWYXCLOT-CRAIPNDOSA-N 2 2 370.563 0.551 10 0 FCAELP CC[N@H+]1CCC[C@@H]1CNC(=S)NC[C@@]1(CO)COCC2(CCC2)[NH+]1C ZINC000863210927 672104838 /nfs/dbraw/zinc/10/48/38/672104838.db2.gz SPDXYCPWYXCLOT-CRAIPNDOSA-N 2 2 370.563 0.551 10 0 FCAELP CC[NH+]1CCC[C@@H]1CNC(=S)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000863210927 672104842 /nfs/dbraw/zinc/10/48/42/672104842.db2.gz SPDXYCPWYXCLOT-CRAIPNDOSA-N 2 2 370.563 0.551 10 0 FCAELP CC[NH+]1CCC[C@@H]1CNC(=S)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000863210927 672104845 /nfs/dbraw/zinc/10/48/45/672104845.db2.gz SPDXYCPWYXCLOT-CRAIPNDOSA-N 2 2 370.563 0.551 10 0 FCAELP CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865017012 672222472 /nfs/dbraw/zinc/22/24/72/672222472.db2.gz CQDWETQDPRYZJH-CZUORRHYSA-N 2 2 352.435 0.709 10 0 FCAELP CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865017012 672222475 /nfs/dbraw/zinc/22/24/75/672222475.db2.gz CQDWETQDPRYZJH-CZUORRHYSA-N 2 2 352.435 0.709 10 0 FCAELP C[C@@H]1C[N@H+](CCNC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)CCO1 ZINC000865092132 672225702 /nfs/dbraw/zinc/22/57/02/672225702.db2.gz JIYLANZFWHJOLJ-KGLIPLIRSA-N 2 2 358.483 0.278 10 0 FCAELP C[C@@H]1C[N@@H+](CCNC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)CCO1 ZINC000865092132 672225708 /nfs/dbraw/zinc/22/57/08/672225708.db2.gz JIYLANZFWHJOLJ-KGLIPLIRSA-N 2 2 358.483 0.278 10 0 FCAELP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000866714466 672291591 /nfs/dbraw/zinc/29/15/91/672291591.db2.gz PNAUTABVJHZWRZ-KKOKHZNYSA-N 2 2 362.352 0.017 10 0 FCAELP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000866714466 672291595 /nfs/dbraw/zinc/29/15/95/672291595.db2.gz PNAUTABVJHZWRZ-KKOKHZNYSA-N 2 2 362.352 0.017 10 0 FCAELP CN(CC[NH+]1CCN(c2ccccc2)CC1)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923619120 672487151 /nfs/dbraw/zinc/48/71/51/672487151.db2.gz URYOVAQPMQETNF-GOSISDBHSA-N 2 2 366.531 0.822 10 0 FCAELP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000872148089 672594633 /nfs/dbraw/zinc/59/46/33/672594633.db2.gz HRIVVJSLCOVLAP-DRZSPHRISA-N 2 2 350.385 0.135 10 0 FCAELP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000872148089 672594634 /nfs/dbraw/zinc/59/46/34/672594634.db2.gz HRIVVJSLCOVLAP-DRZSPHRISA-N 2 2 350.385 0.135 10 0 FCAELP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000924791168 673764967 /nfs/dbraw/zinc/76/49/67/673764967.db2.gz MPFHHGDCJCZQIQ-GFCCVEGCSA-N 2 2 368.507 0.466 10 0 FCAELP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000925612054 673797120 /nfs/dbraw/zinc/79/71/20/673797120.db2.gz HQHPLMBPPDLBSA-IRXDYDNUSA-N 2 2 356.511 0.849 10 0 FCAELP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1N=NC(=O)N1C ZINC000926138232 673812672 /nfs/dbraw/zinc/81/26/72/673812672.db2.gz LSBFFNRPJBUQGG-LBPRGKRZSA-N 2 2 353.471 0.249 10 0 FCAELP C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1N=NC(=O)N1C ZINC000926138232 673812674 /nfs/dbraw/zinc/81/26/74/673812674.db2.gz LSBFFNRPJBUQGG-LBPRGKRZSA-N 2 2 353.471 0.249 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926651347 673837799 /nfs/dbraw/zinc/83/77/99/673837799.db2.gz NADPMJDZOGCRQB-OIISXLGYSA-N 2 2 354.495 0.458 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926651347 673837802 /nfs/dbraw/zinc/83/78/02/673837802.db2.gz NADPMJDZOGCRQB-OIISXLGYSA-N 2 2 354.495 0.458 10 0 FCAELP CN(C)C(=O)CN(CC(F)(F)F)C(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000930124874 673999722 /nfs/dbraw/zinc/99/97/22/673999722.db2.gz LLKJEEZQBHHNTR-UHFFFAOYSA-N 2 2 363.384 0.684 10 0 FCAELP CN(C)C(=O)CN(CC(F)(F)F)C(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000930124874 673999723 /nfs/dbraw/zinc/99/97/23/673999723.db2.gz LLKJEEZQBHHNTR-UHFFFAOYSA-N 2 2 363.384 0.684 10 0 FCAELP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000930174745 674003786 /nfs/dbraw/zinc/00/37/86/674003786.db2.gz OVLCVUKEMCCCMM-ILXRZTDVSA-N 2 2 368.547 0.671 10 0 FCAELP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000930174745 674003788 /nfs/dbraw/zinc/00/37/88/674003788.db2.gz OVLCVUKEMCCCMM-ILXRZTDVSA-N 2 2 368.547 0.671 10 0 FCAELP C/C(=C\C(=O)N1CCC(C[NH+]2CCOCC2)CC1)C[NH+]1CCOCC1 ZINC000900225085 675670385 /nfs/dbraw/zinc/67/03/85/675670385.db2.gz LGQWRCZGWDPGKS-SAPNQHFASA-N 2 2 351.491 0.836 10 0 FCAELP C/C(=C/C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C[NH+]1CCOCC1 ZINC000900725339 675710828 /nfs/dbraw/zinc/71/08/28/675710828.db2.gz JYNUOPBFOZXDRH-HGLWPWQMSA-N 2 2 350.507 0.503 10 0 FCAELP C/C(=C/C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C[NH+]1CCOCC1 ZINC000900725339 675710831 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CC(C)COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001479725559 1263401116 /nfs/dbraw/zinc/40/11/16/1263401116.db2.gz OOZSYYCEZNKZPW-OIISXLGYSA-N 2 2 352.479 0.575 10 0 FCAELP CC(C)COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001479725559 1263401120 /nfs/dbraw/zinc/40/11/20/1263401120.db2.gz OOZSYYCEZNKZPW-OIISXLGYSA-N 2 2 352.479 0.575 10 0 FCAELP CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001479727351 1263403156 /nfs/dbraw/zinc/40/31/56/1263403156.db2.gz IELTXRISRCIGEI-XHSDSOJGSA-N 2 2 354.495 0.012 10 0 FCAELP CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001479727351 1263403162 /nfs/dbraw/zinc/40/31/62/1263403162.db2.gz IELTXRISRCIGEI-XHSDSOJGSA-N 2 2 354.495 0.012 10 0 FCAELP O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1)NC[C@@H]1CCCO1 ZINC001316663402 1263405923 /nfs/dbraw/zinc/40/59/23/1263405923.db2.gz HIHQYCNGWXKJKM-ZNMIVQPWSA-N 2 2 363.462 0.122 10 0 FCAELP CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CC(=O)N1CCCC1 ZINC001479855029 1263414288 /nfs/dbraw/zinc/41/42/88/1263414288.db2.gz SEHFLTJBTDHBSZ-HZPDHXFCSA-N 2 2 361.490 0.974 10 0 FCAELP CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CC(=O)N1CCCC1 ZINC001479855029 1263414291 /nfs/dbraw/zinc/41/42/91/1263414291.db2.gz SEHFLTJBTDHBSZ-HZPDHXFCSA-N 2 2 361.490 0.974 10 0 FCAELP CCN(C)C(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001480295930 1263428163 /nfs/dbraw/zinc/42/81/63/1263428163.db2.gz MQIZHDQAEJISFR-BZUAXINKSA-N 2 2 361.490 0.830 10 0 FCAELP O=C(C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)Nc1ccon1 ZINC001480647476 1263434631 /nfs/dbraw/zinc/43/46/31/1263434631.db2.gz AYVGRLQMSOVFNR-YNEHKIRRSA-N 2 2 358.402 0.578 10 0 FCAELP O=C(C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)Nc1ccon1 ZINC001480647476 1263434634 /nfs/dbraw/zinc/43/46/34/1263434634.db2.gz AYVGRLQMSOVFNR-YNEHKIRRSA-N 2 2 358.402 0.578 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC[N@@H+]1CC(=O)N(C)CC ZINC001316742170 1263451262 /nfs/dbraw/zinc/45/12/62/1263451262.db2.gz KTSLOCULDBITQV-YESZJQIVSA-N 2 2 368.522 0.402 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC[N@H+]1CC(=O)N(C)CC ZINC001316742170 1263451264 /nfs/dbraw/zinc/45/12/64/1263451264.db2.gz KTSLOCULDBITQV-YESZJQIVSA-N 2 2 368.522 0.402 10 0 FCAELP O=C(NC1(CO)CC[NH+](CC2CCOCC2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001485019769 1263495456 /nfs/dbraw/zinc/49/54/56/1263495456.db2.gz MJHCHBYMRAOTDV-HZPDHXFCSA-N 2 2 362.474 0.883 10 0 FCAELP O=C(NC1(CO)CC[NH+](CC2CCOCC2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001485019769 1263495460 /nfs/dbraw/zinc/49/54/60/1263495460.db2.gz MJHCHBYMRAOTDV-HZPDHXFCSA-N 2 2 362.474 0.883 10 0 FCAELP O=C(N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCOCCO)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001485042976 1263496755 /nfs/dbraw/zinc/49/67/55/1263496755.db2.gz HHNOZNKMOFBMPQ-YWTNHNAXSA-N 2 2 370.453 0.894 10 0 FCAELP CCN(CC)C(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001317339813 1263508349 /nfs/dbraw/zinc/50/83/49/1263508349.db2.gz UCTVDDRBRMAMFA-BZUAXINKSA-N 2 2 361.490 0.830 10 0 FCAELP COC[C@H](O)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@]2(C)C1 ZINC001485668378 1263512705 /nfs/dbraw/zinc/51/27/05/1263512705.db2.gz PJQTUTNKBIPFNQ-TZNWLIJBSA-N 2 2 362.474 0.691 10 0 FCAELP COC[C@H](O)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@]2(C)C1 ZINC001485668378 1263512713 /nfs/dbraw/zinc/51/27/13/1263512713.db2.gz PJQTUTNKBIPFNQ-TZNWLIJBSA-N 2 2 362.474 0.691 10 0 FCAELP COC[C@H](O)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC001485668378 1263512720 /nfs/dbraw/zinc/51/27/20/1263512720.db2.gz PJQTUTNKBIPFNQ-TZNWLIJBSA-N 2 2 362.474 0.691 10 0 FCAELP COC[C@H](O)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC001485668378 1263512725 /nfs/dbraw/zinc/51/27/25/1263512725.db2.gz PJQTUTNKBIPFNQ-TZNWLIJBSA-N 2 2 362.474 0.691 10 0 FCAELP Cc1nc(C)n(CC[NH2+]C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)n1 ZINC001491809916 1263624440 /nfs/dbraw/zinc/62/44/40/1263624440.db2.gz CHRWGEPSXRQOPX-BZUAXINKSA-N 2 2 357.462 0.860 10 0 FCAELP Cc1nc(C)n(CC[NH2+]C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)n1 ZINC001491809916 1263624452 /nfs/dbraw/zinc/62/44/52/1263624452.db2.gz CHRWGEPSXRQOPX-BZUAXINKSA-N 2 2 357.462 0.860 10 0 FCAELP O=C(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)NC1CCCCC1 ZINC001496998880 1263910766 /nfs/dbraw/zinc/91/07/66/1263910766.db2.gz QYQSUEANQDIBCA-RBSFLKMASA-N 2 2 363.462 0.029 10 0 FCAELP Cc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c(C)n1 ZINC001497058698 1263913433 /nfs/dbraw/zinc/91/34/33/1263913433.db2.gz RXCFOQZLVGOWDK-GVDBMIGSSA-N 2 2 357.458 0.802 10 0 FCAELP O=C(NC/C=C/C[NH2+]C[C@H]1CCS(=O)(=O)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001497601312 1263942157 /nfs/dbraw/zinc/94/21/57/1263942157.db2.gz KJXKDRVTSUITOQ-PBGVXAARSA-N 2 2 352.460 0.210 10 0 FCAELP O=C(NC/C=C/C[NH2+]C[C@H]1CCS(=O)(=O)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001497601312 1263942167 /nfs/dbraw/zinc/94/21/67/1263942167.db2.gz KJXKDRVTSUITOQ-PBGVXAARSA-N 2 2 352.460 0.210 10 0 FCAELP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001499222870 1264015507 /nfs/dbraw/zinc/01/55/07/1264015507.db2.gz DHWJEWAFYRFODM-RBSFLKMASA-N 2 2 359.474 0.630 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@]1(C)CCC[N@H+](CCOCCO)C1 ZINC001500522501 1264071572 /nfs/dbraw/zinc/07/15/72/1264071572.db2.gz JHQUQIBULHOACR-MDZRGWNJSA-N 2 2 364.490 0.751 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@]1(C)CCC[N@@H+](CCOCCO)C1 ZINC001500522501 1264071576 /nfs/dbraw/zinc/07/15/76/1264071576.db2.gz JHQUQIBULHOACR-MDZRGWNJSA-N 2 2 364.490 0.751 10 0 FCAELP CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)NC(=O)C[NH+]1CCCC1 ZINC001500964023 1264100671 /nfs/dbraw/zinc/10/06/71/1264100671.db2.gz ORHALUDDXFEYTC-OAGGEKHMSA-N 2 2 361.490 0.876 10 0 FCAELP COC[C@H](C)[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCOCC1 ZINC001502635272 1264179871 /nfs/dbraw/zinc/17/98/71/1264179871.db2.gz ILMDQCKITGSEOE-RRFJBIMHSA-N 2 2 350.463 0.814 10 0 FCAELP CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC001502832044 1264184007 /nfs/dbraw/zinc/18/40/07/1264184007.db2.gz JMQHTQZCAUHVCJ-IIAWOOMASA-N 2 2 361.490 0.876 10 0 FCAELP CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC001502832044 1264184010 /nfs/dbraw/zinc/18/40/10/1264184010.db2.gz JMQHTQZCAUHVCJ-IIAWOOMASA-N 2 2 361.490 0.876 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3CCC(C)(C)O3)C2)CC1 ZINC001322780818 1264264664 /nfs/dbraw/zinc/26/46/64/1264264664.db2.gz MDEGSGTTWOSBOM-GDBMZVCRSA-N 2 2 366.506 0.345 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3CCC(C)(C)O3)C2)CC1 ZINC001322780818 1264264666 /nfs/dbraw/zinc/26/46/66/1264264666.db2.gz MDEGSGTTWOSBOM-GDBMZVCRSA-N 2 2 366.506 0.345 10 0 FCAELP CCCc1nnc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001507198081 1264355652 /nfs/dbraw/zinc/35/56/52/1264355652.db2.gz NBHFSLDRSZPWLN-FRRDWIJNSA-N 2 2 355.508 0.398 10 0 FCAELP CCCc1nnc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001507198081 1264355658 /nfs/dbraw/zinc/35/56/58/1264355658.db2.gz NBHFSLDRSZPWLN-FRRDWIJNSA-N 2 2 355.508 0.398 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH+](C)Cc2ncc(C)cn2)CC[N@@H+]1C ZINC001507636224 1264375599 /nfs/dbraw/zinc/37/55/99/1264375599.db2.gz IOKAHPGLTYBBBI-IXDOHACOSA-N 2 2 363.506 0.766 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH+](C)Cc2ncc(C)cn2)CC[N@H+]1C ZINC001507636224 1264375607 /nfs/dbraw/zinc/37/56/07/1264375607.db2.gz IOKAHPGLTYBBBI-IXDOHACOSA-N 2 2 363.506 0.766 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[N@H+](C)Cc2ncc(C)cn2)CC[NH+]1C ZINC001507636224 1264375613 /nfs/dbraw/zinc/37/56/13/1264375613.db2.gz IOKAHPGLTYBBBI-IXDOHACOSA-N 2 2 363.506 0.766 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)Cc2ncc(C)cn2)CC[NH+]1C ZINC001507636224 1264375621 /nfs/dbraw/zinc/37/56/21/1264375621.db2.gz IOKAHPGLTYBBBI-IXDOHACOSA-N 2 2 363.506 0.766 10 0 FCAELP CC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]21 ZINC001509713870 1264465995 /nfs/dbraw/zinc/46/59/95/1264465995.db2.gz VFPIHHSIVSHBFX-QCODTGAPSA-N 2 2 359.474 0.676 10 0 FCAELP CC[N@@H+](C)CCC(=O)NC[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]21 ZINC001509713870 1264465996 /nfs/dbraw/zinc/46/59/96/1264465996.db2.gz VFPIHHSIVSHBFX-QCODTGAPSA-N 2 2 359.474 0.676 10 0 FCAELP CC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]21 ZINC001509713870 1264465998 /nfs/dbraw/zinc/46/59/98/1264465998.db2.gz VFPIHHSIVSHBFX-QCODTGAPSA-N 2 2 359.474 0.676 10 0 FCAELP CC[N@@H+](C)CCC(=O)NC[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]21 ZINC001509713870 1264466000 /nfs/dbraw/zinc/46/60/00/1264466000.db2.gz VFPIHHSIVSHBFX-QCODTGAPSA-N 2 2 359.474 0.676 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCCC2=CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CC[N@@H+]1C ZINC001512548723 1264629731 /nfs/dbraw/zinc/62/97/31/1264629731.db2.gz LCYDWGCWKVOAMY-GDBMZVCRSA-N 2 2 359.474 0.957 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCCC2=CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CC[N@H+]1C ZINC001512548723 1264629739 /nfs/dbraw/zinc/62/97/39/1264629739.db2.gz LCYDWGCWKVOAMY-GDBMZVCRSA-N 2 2 359.474 0.957 10 0 FCAELP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001513205954 1264959617 /nfs/dbraw/zinc/95/96/17/1264959617.db2.gz IRAZWMVHCXVVDG-CZUORRHYSA-N 2 2 365.478 0.655 10 0 FCAELP C[NH+]1CCC(OCC(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)CC1 ZINC001332864830 1266495579 /nfs/dbraw/zinc/49/55/79/1266495579.db2.gz ALMDFIYOZPCHFJ-UHFFFAOYSA-N 2 2 374.485 0.541 10 0 FCAELP CO[C@H]1C[C@H](CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001333003346 1266520904 /nfs/dbraw/zinc/52/09/04/1266520904.db2.gz IYVFATNRUKBDFV-XIRDDKMYSA-N 2 2 366.506 0.155 10 0 FCAELP CO[C@H]1C[C@H](CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001333003346 1266520907 /nfs/dbraw/zinc/52/09/07/1266520907.db2.gz IYVFATNRUKBDFV-XIRDDKMYSA-N 2 2 366.506 0.155 10 0 FCAELP COC[C@@H](O)C[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC001333180472 1266548699 /nfs/dbraw/zinc/54/86/99/1266548699.db2.gz GLZBJAPKCYEETB-ARFHVFGLSA-N 2 2 362.474 0.881 10 0 FCAELP COC[C@@H](O)C[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC001333180472 1266548706 /nfs/dbraw/zinc/54/87/06/1266548706.db2.gz GLZBJAPKCYEETB-ARFHVFGLSA-N 2 2 362.474 0.881 10 0 FCAELP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001522677989 1266573416 /nfs/dbraw/zinc/57/34/16/1266573416.db2.gz PGLUMTSMRFCRQH-IRFCIJBXSA-N 2 2 373.497 0.993 10 0 FCAELP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001522677989 1266573418 /nfs/dbraw/zinc/57/34/18/1266573418.db2.gz PGLUMTSMRFCRQH-IRFCIJBXSA-N 2 2 373.497 0.993 10 0 FCAELP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC001522677989 1266573424 /nfs/dbraw/zinc/57/34/24/1266573424.db2.gz PGLUMTSMRFCRQH-IRFCIJBXSA-N 2 2 373.497 0.993 10 0 FCAELP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC001522677989 1266573430 /nfs/dbraw/zinc/57/34/30/1266573430.db2.gz PGLUMTSMRFCRQH-IRFCIJBXSA-N 2 2 373.497 0.993 10 0 FCAELP C[N@@H+]1CC[C@H](C(=O)N(CCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C2CC2)C1 ZINC001524008505 1266674415 /nfs/dbraw/zinc/67/44/15/1266674415.db2.gz PNJWIEAEBNZZAW-NUEKZKHPSA-N 2 2 359.474 0.962 10 0 FCAELP C[N@H+]1CC[C@H](C(=O)N(CCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C2CC2)C1 ZINC001524008505 1266674425 /nfs/dbraw/zinc/67/44/25/1266674425.db2.gz PNJWIEAEBNZZAW-NUEKZKHPSA-N 2 2 359.474 0.962 10 0 FCAELP C[N@@H+]1CC[C@H](C(=O)N(CCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C2CC2)C1 ZINC001524008505 1266674433 /nfs/dbraw/zinc/67/44/33/1266674433.db2.gz PNJWIEAEBNZZAW-NUEKZKHPSA-N 2 2 359.474 0.962 10 0 FCAELP C[N@H+]1CC[C@H](C(=O)N(CCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C2CC2)C1 ZINC001524008505 1266674443 /nfs/dbraw/zinc/67/44/43/1266674443.db2.gz PNJWIEAEBNZZAW-NUEKZKHPSA-N 2 2 359.474 0.962 10 0 FCAELP C[C@@H](CNC(=O)N[C@@H](C)[C@H]1C[NH+](C)CCN1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001528002511 1266939002 /nfs/dbraw/zinc/93/90/02/1266939002.db2.gz PYXFCYDDQHZSGQ-ZOFXXKQRSA-N 2 2 355.527 0.418 10 0 FCAELP C[C@@H](CNC(=O)N[C@@H](C)[C@H]1C[NH+](C)CCN1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001528002511 1266939007 /nfs/dbraw/zinc/93/90/07/1266939007.db2.gz PYXFCYDDQHZSGQ-ZOFXXKQRSA-N 2 2 355.527 0.418 10 0 FCAELP C[C@@H](CNC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001528002511 1266939013 /nfs/dbraw/zinc/93/90/13/1266939013.db2.gz PYXFCYDDQHZSGQ-ZOFXXKQRSA-N 2 2 355.527 0.418 10 0 FCAELP C[C@@H](CNC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001528002511 1266939020 /nfs/dbraw/zinc/93/90/20/1266939020.db2.gz PYXFCYDDQHZSGQ-ZOFXXKQRSA-N 2 2 355.527 0.418 10 0 FCAELP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2cc[nH+]c(NC)c2)CC1 ZINC001528129595 1266948410 /nfs/dbraw/zinc/94/84/10/1266948410.db2.gz GWHGTEBBZAAVSO-UHFFFAOYSA-N 2 2 362.478 0.819 10 0 FCAELP C[NH+]1CCN(Cc2cccc(CNC(=O)C3C[NH+]([C@H]4CCOC4)C3)c2)CC1 ZINC001334402036 1266982194 /nfs/dbraw/zinc/98/21/94/1266982194.db2.gz JRYGBCQDNKCWPE-FQEVSTJZSA-N 2 2 372.513 0.771 10 0 FCAELP CN1CC[NH+](Cc2cccc(CNC(=O)C3C[NH+]([C@H]4CCOC4)C3)c2)CC1 ZINC001334402036 1266982202 /nfs/dbraw/zinc/98/22/02/1266982202.db2.gz JRYGBCQDNKCWPE-FQEVSTJZSA-N 2 2 372.513 0.771 10 0 FCAELP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC001335136511 1267355644 /nfs/dbraw/zinc/35/56/44/1267355644.db2.gz DABHWVVEKHSOBZ-DLBZAZTESA-N 2 2 368.522 0.992 10 0 FCAELP C[C@H]1COCC[N@H+]1CCNC(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC001335136511 1267355654 /nfs/dbraw/zinc/35/56/54/1267355654.db2.gz DABHWVVEKHSOBZ-DLBZAZTESA-N 2 2 368.522 0.992 10 0 FCAELP 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C[NH+](C)CCCC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001572653732 1270101281 /nfs/dbraw/zinc/10/12/81/1270101281.db2.gz GLMPIJZYMGZXOW-HUUCEWRRSA-N 2 2 359.474 0.916 10 0 FCAELP C[NH+](C)CCCC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001572653732 1270101283 /nfs/dbraw/zinc/10/12/83/1270101283.db2.gz GLMPIJZYMGZXOW-HUUCEWRRSA-N 2 2 359.474 0.916 10 0 FCAELP CC[NH+](CC)CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001344485111 1270186557 /nfs/dbraw/zinc/18/65/57/1270186557.db2.gz CYAKOJMKLCKABQ-IXDOHACOSA-N 2 2 368.522 0.402 10 0 FCAELP CC[NH+](CC)CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001344485111 1270186563 /nfs/dbraw/zinc/18/65/63/1270186563.db2.gz CYAKOJMKLCKABQ-IXDOHACOSA-N 2 2 368.522 0.402 10 0 FCAELP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001573180959 1270639460 /nfs/dbraw/zinc/63/94/60/1270639460.db2.gz HICLFYFPZQXOBZ-HRCADAONSA-N 2 2 361.490 0.798 10 0 FCAELP 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C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCC3(C)CCC3)CC2)CC1 ZINC001117170255 846919694 /nfs/dbraw/zinc/91/96/94/846919694.db2.gz KPKOXTNBFVEWDJ-UHFFFAOYSA-N 2 2 350.507 0.968 10 0 FCAELP C[C@H]1C[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c2ccsc2S1(=O)=O ZINC001118156442 847300899 /nfs/dbraw/zinc/30/08/99/847300899.db2.gz WVPOSFDPQOZLJR-YDHLFZDLSA-N 2 2 373.544 0.553 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)CC(F)F ZINC001118217947 847329053 /nfs/dbraw/zinc/32/90/53/847329053.db2.gz DISHUWDUVQRLRS-QWHCGFSZSA-N 2 2 360.449 0.679 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)CC(F)F ZINC001118217947 847329058 /nfs/dbraw/zinc/32/90/58/847329058.db2.gz DISHUWDUVQRLRS-QWHCGFSZSA-N 2 2 360.449 0.679 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC[C@H]1CCCS1 ZINC001119000123 847667192 /nfs/dbraw/zinc/66/71/92/847667192.db2.gz FMXGDWLJHQOCKC-MRXNPFEDSA-N 2 2 370.563 0.873 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC[C@H]1CCCS1 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NKORPXQPBZVZPP-CYBMUJFWSA-N 2 2 360.449 0.632 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC[C@@H]1CC1(F)F ZINC001261768963 858661016 /nfs/dbraw/zinc/66/10/16/858661016.db2.gz NKORPXQPBZVZPP-CYBMUJFWSA-N 2 2 360.449 0.632 10 0 FCAELP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC001261890316 858701737 /nfs/dbraw/zinc/70/17/37/858701737.db2.gz AXUPIPPEKIOJLK-YUSALJHKSA-N 2 2 350.385 0.168 10 0 FCAELP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC001261890316 858701745 /nfs/dbraw/zinc/70/17/45/858701745.db2.gz AXUPIPPEKIOJLK-YUSALJHKSA-N 2 2 350.385 0.168 10 0 FCAELP CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001263583808 859180681 /nfs/dbraw/zinc/18/06/81/859180681.db2.gz MPTKHSMVKIIGQK-CBZIJGRNSA-N 2 2 356.463 0.519 10 0 FCAELP CO[C@H]1C[N@@H+](C)[C@](C)(COC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001263583808 859180687 /nfs/dbraw/zinc/18/06/87/859180687.db2.gz MPTKHSMVKIIGQK-CBZIJGRNSA-N 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ZINC001284491450 864569686 /nfs/dbraw/zinc/56/96/86/864569686.db2.gz BCNGHDPSOJKZHO-IXDOHACOSA-N 2 2 352.479 0.964 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH+](C)Cc2coc(C)n2)CC[N@H+]1C ZINC001284491450 864569692 /nfs/dbraw/zinc/56/96/92/864569692.db2.gz BCNGHDPSOJKZHO-IXDOHACOSA-N 2 2 352.479 0.964 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[N@H+](C)Cc2coc(C)n2)CC[NH+]1C ZINC001284491450 864569696 /nfs/dbraw/zinc/56/96/96/864569696.db2.gz BCNGHDPSOJKZHO-IXDOHACOSA-N 2 2 352.479 0.964 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)Cc2coc(C)n2)CC[NH+]1C ZINC001284491450 864569704 /nfs/dbraw/zinc/56/97/04/864569704.db2.gz BCNGHDPSOJKZHO-IXDOHACOSA-N 2 2 352.479 0.964 10 0 FCAELP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H]1C=CS(=O)(=O)C1 ZINC001292581844 865746081 /nfs/dbraw/zinc/74/60/81/865746081.db2.gz HHIDPLNZECXQDN-JKSUJKDBSA-N 2 2 357.520 0.809 10 0 FCAELP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H]1C=CS(=O)(=O)C1 ZINC001292581844 865746086 /nfs/dbraw/zinc/74/60/86/865746086.db2.gz HHIDPLNZECXQDN-JKSUJKDBSA-N 2 2 357.520 0.809 10 0 FCAELP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC001351581727 866909786 /nfs/dbraw/zinc/90/97/86/866909786.db2.gz NBYVHCWWJHUYEE-OCCSQVGLSA-N 2 2 367.519 0.620 10 0 FCAELP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC001351581727 866909792 /nfs/dbraw/zinc/90/97/92/866909792.db2.gz NBYVHCWWJHUYEE-OCCSQVGLSA-N 2 2 367.519 0.620 10 0 FCAELP CCN(C)C(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001316696086 867405793 /nfs/dbraw/zinc/40/57/93/867405793.db2.gz FAHKPPXFLNTZBH-PMPSAXMXSA-N 2 2 354.495 0.012 10 0 FCAELP CCN(C)C(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001316696086 867405801 /nfs/dbraw/zinc/40/58/01/867405801.db2.gz FAHKPPXFLNTZBH-PMPSAXMXSA-N 2 2 354.495 0.012 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1CCCS(=O)(=O)CC ZINC001316731992 867425474 /nfs/dbraw/zinc/42/54/74/867425474.db2.gz ZFCWWMBZOJPISM-XHSDSOJGSA-N 2 2 359.536 0.875 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1CCCS(=O)(=O)CC ZINC001316731992 867425479 /nfs/dbraw/zinc/42/54/79/867425479.db2.gz ZFCWWMBZOJPISM-XHSDSOJGSA-N 2 2 359.536 0.875 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1CCCS(=O)(=O)CC ZINC001316731992 867425484 /nfs/dbraw/zinc/42/54/84/867425484.db2.gz ZFCWWMBZOJPISM-XHSDSOJGSA-N 2 2 359.536 0.875 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1CCCS(=O)(=O)CC ZINC001316731992 867425492 /nfs/dbraw/zinc/42/54/92/867425492.db2.gz ZFCWWMBZOJPISM-XHSDSOJGSA-N 2 2 359.536 0.875 10 0 FCAELP CC(C)OCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001325137028 869790096 /nfs/dbraw/zinc/79/00/96/869790096.db2.gz BFCYWUGRNXFSQK-IIDMSEBBSA-N 2 2 350.463 0.502 10 0 FCAELP CC(C)OCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001325137028 869790100 /nfs/dbraw/zinc/79/01/00/869790100.db2.gz BFCYWUGRNXFSQK-IIDMSEBBSA-N 2 2 350.463 0.502 10 0 FCAELP O=C(NCC1([NH2+]CCCF)CCC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001326859663 870536124 /nfs/dbraw/zinc/53/61/24/870536124.db2.gz PJZZJJLJZBJQAB-CVEARBPZSA-N 2 2 357.470 0.854 10 0 FCAELP COc1cc(F)cc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC001327242295 870739485 /nfs/dbraw/zinc/73/94/85/870739485.db2.gz HETOKCBULAALDX-UHFFFAOYSA-N 2 2 354.426 0.773 10 0 FCAELP COc1cc(F)cc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC001327242295 870739494 /nfs/dbraw/zinc/73/94/94/870739494.db2.gz HETOKCBULAALDX-UHFFFAOYSA-N 2 2 354.426 0.773 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)COCC[NH+](C)C ZINC001344917566 871098261 /nfs/dbraw/zinc/09/82/61/871098261.db2.gz RYOJKMTYPGBQOL-UONOGXRCSA-N 2 2 351.451 0.026 10 0 FCAELP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001345844799 871520427 /nfs/dbraw/zinc/52/04/27/871520427.db2.gz VWTLOJGUCWQOLH-MRXNPFEDSA-N 2 2 371.547 0.686 10 0 FCAELP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001345844799 871520437 /nfs/dbraw/zinc/52/04/37/871520437.db2.gz VWTLOJGUCWQOLH-MRXNPFEDSA-N 2 2 371.547 0.686 10 0 FCAELP C[C@@H]1C[C@H]2CC[C@@H](C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)C[N@@H+]2C1 ZINC001345932047 871567457 /nfs/dbraw/zinc/56/74/57/871567457.db2.gz NGVBAEVOFNWUDW-BFYDXBDKSA-N 2 2 371.547 0.732 10 0 FCAELP C[C@@H]1C[C@H]2CC[C@@H](C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)C[N@H+]2C1 ZINC001345932047 871567469 /nfs/dbraw/zinc/56/74/69/871567469.db2.gz NGVBAEVOFNWUDW-BFYDXBDKSA-N 2 2 371.547 0.732 10 0 FCAELP C[C@H](NC(=O)N1CCOC2(CC[NH+](C)CC2)C1)[C@H]1CN(C)CC[N@@H+]1C ZINC001348265182 872650226 /nfs/dbraw/zinc/65/02/26/872650226.db2.gz UKEZKUODFGYWCQ-JKSUJKDBSA-N 2 2 353.511 0.127 10 0 FCAELP C[C@H](NC(=O)N1CCOC2(CC[NH+](C)CC2)C1)[C@H]1CN(C)CC[N@H+]1C ZINC001348265182 872650230 /nfs/dbraw/zinc/65/02/30/872650230.db2.gz UKEZKUODFGYWCQ-JKSUJKDBSA-N 2 2 353.511 0.127 10 0 FCAELP [NH3+]C1CC[NH+]([C@@H]2CCN(S(=O)(=O)Cc3noc4c3CCCC4)C2)CC1 ZINC001332335395 873461259 /nfs/dbraw/zinc/46/12/59/873461259.db2.gz VRKPYFSTCDLTRE-CQSZACIVSA-N 2 2 368.503 0.881 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC001332632369 873590398 /nfs/dbraw/zinc/59/03/98/873590398.db2.gz CASABEXPOSOFSN-JSGCOSHPSA-N 2 2 365.503 0.564 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC001332632369 873590405 /nfs/dbraw/zinc/59/04/05/873590405.db2.gz CASABEXPOSOFSN-JSGCOSHPSA-N 2 2 365.503 0.564 10 0 FCAELP COc1ccc(OC)c(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000265870802 210240484 /nfs/dbraw/zinc/24/04/84/210240484.db2.gz PKUOMLRRCCEREC-MRXNPFEDSA-N 2 2 363.458 0.727 10 0 FCAELP CN(C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333662881 215306360 /nfs/dbraw/zinc/30/63/60/215306360.db2.gz XEQXBDATBKVWJY-VGWMRTNUSA-N 2 2 354.401 0.684 10 0 FCAELP CN(C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333662881 215306361 /nfs/dbraw/zinc/30/63/61/215306361.db2.gz XEQXBDATBKVWJY-VGWMRTNUSA-N 2 2 354.401 0.684 10 0 FCAELP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000333679383 215308107 /nfs/dbraw/zinc/30/81/07/215308107.db2.gz ONECKKNUZKTQDB-PMPSAXMXSA-N 2 2 351.495 0.323 10 0 FCAELP O=C(NCc1cccnc1-n1cc[nH+]c1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000284964210 213257022 /nfs/dbraw/zinc/25/70/22/213257022.db2.gz OXDVWJGXJXWFLK-UHFFFAOYSA-N 2 2 368.441 0.438 10 0 FCAELP C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2)C[N@@H+]1C1CC1 ZINC000284781795 213218628 /nfs/dbraw/zinc/21/86/28/213218628.db2.gz FMPGPBTTZHQCQO-UKRRQHHQSA-N 2 2 368.441 0.625 10 0 FCAELP C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2)C[N@H+]1C1CC1 ZINC000284781795 213218630 /nfs/dbraw/zinc/21/86/30/213218630.db2.gz FMPGPBTTZHQCQO-UKRRQHHQSA-N 2 2 368.441 0.625 10 0 FCAELP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000284324928 213111793 /nfs/dbraw/zinc/11/17/93/213111793.db2.gz PYDWLFVBWVCPSI-HNNXBMFYSA-N 2 2 370.457 0.732 10 0 FCAELP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000284324928 213111795 /nfs/dbraw/zinc/11/17/95/213111795.db2.gz PYDWLFVBWVCPSI-HNNXBMFYSA-N 2 2 370.457 0.732 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)C[C@@]3(C)CCS(=O)(=O)N3)CC2)CC1 ZINC000931216050 674100157 /nfs/dbraw/zinc/10/01/57/674100157.db2.gz ASBJKZMMDDIYCS-QGZVFWFLSA-N 2 2 372.535 0.133 10 0 FCAELP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+]C3(C(=O)N(C)C)CC3)CC2)c1 ZINC000411917136 237105961 /nfs/dbraw/zinc/10/59/61/237105961.db2.gz XMKHNTBKDQVWCP-UHFFFAOYSA-N 2 2 358.486 0.850 10 0 FCAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000367049541 216069283 /nfs/dbraw/zinc/06/92/83/216069283.db2.gz GYKPXAUYIHNGKU-GOSISDBHSA-N 2 2 357.458 0.799 10 0 FCAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000367049541 216069287 /nfs/dbraw/zinc/06/92/87/216069287.db2.gz GYKPXAUYIHNGKU-GOSISDBHSA-N 2 2 357.458 0.799 10 0 FCAELP C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000246705439 209399218 /nfs/dbraw/zinc/39/92/18/209399218.db2.gz KSGKXCQOXOOTIL-KURKYZTESA-N 2 2 352.523 0.772 10 0 FCAELP C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000246705439 209399224 /nfs/dbraw/zinc/39/92/24/209399224.db2.gz KSGKXCQOXOOTIL-KURKYZTESA-N 2 2 352.523 0.772 10 0 FCAELP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NCc3ccc(OCC(N)=O)cc3)CC[C@H]21 ZINC000246730167 209398671 /nfs/dbraw/zinc/39/86/71/209398671.db2.gz GDQKUOOMRIBKGK-FUHWJXTLSA-N 2 2 374.485 0.583 10 0 FCAELP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NCc3ccc(OCC(N)=O)cc3)CC[C@H]21 ZINC000246730167 209398674 /nfs/dbraw/zinc/39/86/74/209398674.db2.gz GDQKUOOMRIBKGK-FUHWJXTLSA-N 2 2 374.485 0.583 10 0 FCAELP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NCc3ccc(OCC(N)=O)cc3)CC[C@H]21 ZINC000246730167 209398678 /nfs/dbraw/zinc/39/86/78/209398678.db2.gz GDQKUOOMRIBKGK-FUHWJXTLSA-N 2 2 374.485 0.583 10 0 FCAELP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NCc3ccc(OCC(N)=O)cc3)CC[C@H]21 ZINC000246730167 209398684 /nfs/dbraw/zinc/39/86/84/209398684.db2.gz GDQKUOOMRIBKGK-FUHWJXTLSA-N 2 2 374.485 0.583 10 0 FCAELP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246567358 209393712 /nfs/dbraw/zinc/39/37/12/209393712.db2.gz RPBZTUWMYRHYFB-KBPBESRZSA-N 2 2 368.503 0.995 10 0 FCAELP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246567358 209393717 /nfs/dbraw/zinc/39/37/17/209393717.db2.gz RPBZTUWMYRHYFB-KBPBESRZSA-N 2 2 368.503 0.995 10 0 FCAELP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246567358 209393720 /nfs/dbraw/zinc/39/37/20/209393720.db2.gz RPBZTUWMYRHYFB-KBPBESRZSA-N 2 2 368.503 0.995 10 0 FCAELP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246567358 209393728 /nfs/dbraw/zinc/39/37/28/209393728.db2.gz RPBZTUWMYRHYFB-KBPBESRZSA-N 2 2 368.503 0.995 10 0 FCAELP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000245437611 209368007 /nfs/dbraw/zinc/36/80/07/209368007.db2.gz DXSSPGUUOUNMJX-ROUUACIJSA-N 3 2 354.539 0.733 10 0 FCAELP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000245437611 209368009 /nfs/dbraw/zinc/36/80/09/209368009.db2.gz DXSSPGUUOUNMJX-ROUUACIJSA-N 3 2 354.539 0.733 10 0 FCAELP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000245437611 209368010 /nfs/dbraw/zinc/36/80/10/209368010.db2.gz DXSSPGUUOUNMJX-ROUUACIJSA-N 3 2 354.539 0.733 10 0 FCAELP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000245437611 209368012 /nfs/dbraw/zinc/36/80/12/209368012.db2.gz DXSSPGUUOUNMJX-ROUUACIJSA-N 3 2 354.539 0.733 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCCN3CCCC3=O)CC2)CC1 ZINC000195328259 209336764 /nfs/dbraw/zinc/33/67/64/209336764.db2.gz UXXORVGYERLSAL-UHFFFAOYSA-N 2 2 365.522 0.857 10 0 FCAELP COC(=O)Cn1cc(CC[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)nn1 ZINC000195287605 209335242 /nfs/dbraw/zinc/33/52/42/209335242.db2.gz NSZOEQFORLIQFO-KRWDZBQOSA-N 2 2 372.473 0.843 10 0 FCAELP COC(=O)Cn1cc(CC[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)nn1 ZINC000195287605 209335245 /nfs/dbraw/zinc/33/52/45/209335245.db2.gz NSZOEQFORLIQFO-KRWDZBQOSA-N 2 2 372.473 0.843 10 0 FCAELP COC(=O)Cn1cc(CC[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)nn1 ZINC000195287605 209335249 /nfs/dbraw/zinc/33/52/49/209335249.db2.gz NSZOEQFORLIQFO-KRWDZBQOSA-N 2 2 372.473 0.843 10 0 FCAELP COC(=O)Cn1cc(CC[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)nn1 ZINC000195287605 209335253 /nfs/dbraw/zinc/33/52/53/209335253.db2.gz NSZOEQFORLIQFO-KRWDZBQOSA-N 2 2 372.473 0.843 10 0 FCAELP CC(C)C(=O)N[C@@H](CO)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000368694529 216281938 /nfs/dbraw/zinc/28/19/38/216281938.db2.gz ZWDMCFNOMQWYRW-INIZCTEOSA-N 2 2 368.522 0.186 10 0 FCAELP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCN(C)C(=O)C1 ZINC000191159394 209282239 /nfs/dbraw/zinc/28/22/39/209282239.db2.gz VJRNOHLZHPNVMQ-FUHWJXTLSA-N 2 2 358.486 0.930 10 0 FCAELP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCN(C)C(=O)C1 ZINC000191159394 209282241 /nfs/dbraw/zinc/28/22/41/209282241.db2.gz VJRNOHLZHPNVMQ-FUHWJXTLSA-N 2 2 358.486 0.930 10 0 FCAELP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCN(C)C(=O)C1 ZINC000191159394 209282243 /nfs/dbraw/zinc/28/22/43/209282243.db2.gz VJRNOHLZHPNVMQ-FUHWJXTLSA-N 2 2 358.486 0.930 10 0 FCAELP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCN(C)C(=O)C1 ZINC000191159394 209282245 /nfs/dbraw/zinc/28/22/45/209282245.db2.gz VJRNOHLZHPNVMQ-FUHWJXTLSA-N 2 2 358.486 0.930 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3nc4ccccc4c(=O)[nH]3)C2)CC1 ZINC000369249575 216370153 /nfs/dbraw/zinc/37/01/53/216370153.db2.gz LQVMRNPKOWURGU-CYBMUJFWSA-N 2 2 355.442 0.821 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3nc4ccccc4c(=O)[nH]3)C2)CC1 ZINC000369249575 216370159 /nfs/dbraw/zinc/37/01/59/216370159.db2.gz LQVMRNPKOWURGU-CYBMUJFWSA-N 2 2 355.442 0.821 10 0 FCAELP CNc1cc(N2CCC[C@@H]2CNC(=O)c2[nH]nc3c2C[NH2+]CC3)nc[nH+]1 ZINC000188925845 209240874 /nfs/dbraw/zinc/24/08/74/209240874.db2.gz HIPHTQFKVXVILS-LLVKDONJSA-N 2 2 356.434 0.286 10 0 FCAELP CNc1cc(N2CCC[C@@H]2CNC(=O)c2[nH]nc3c2C[NH2+]CC3)[nH+]cn1 ZINC000188925845 209240878 /nfs/dbraw/zinc/24/08/78/209240878.db2.gz HIPHTQFKVXVILS-LLVKDONJSA-N 2 2 356.434 0.286 10 0 FCAELP C[NH+](C)CCn1cc(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)cn1 ZINC000931346348 674109354 /nfs/dbraw/zinc/10/93/54/674109354.db2.gz HWRKNQNLEWINOW-CVEARBPZSA-N 2 2 351.451 0.263 10 0 FCAELP Cn1c2ccc(NC(=O)C(=O)N3CCOC4(C[NH2+]C4)C3)cc2[nH+]c1C1CC1 ZINC000415891748 245521615 /nfs/dbraw/zinc/52/16/15/245521615.db2.gz KKGJDAFCBMFLAL-UHFFFAOYSA-N 2 2 369.425 0.590 10 0 FCAELP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC([NH+](CCOC)CCOC)CC1 ZINC000376432963 217399551 /nfs/dbraw/zinc/39/95/51/217399551.db2.gz GLWIXVJVNZNWQY-QGZVFWFLSA-N 2 2 357.495 0.293 10 0 FCAELP CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC([NH+](CCOC)CCOC)CC1 ZINC000376432963 217399553 /nfs/dbraw/zinc/39/95/53/217399553.db2.gz GLWIXVJVNZNWQY-QGZVFWFLSA-N 2 2 357.495 0.293 10 0 FCAELP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000419154203 246019956 /nfs/dbraw/zinc/01/99/56/246019956.db2.gz PVLZSNFZHAQWPE-WBVHZDCISA-N 2 2 369.469 0.856 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)n1 ZINC000931666153 674129293 /nfs/dbraw/zinc/12/92/93/674129293.db2.gz DGWHGUZIVIBYKZ-UHFFFAOYSA-N 2 2 367.519 0.669 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)n1 ZINC000931666153 674129294 /nfs/dbraw/zinc/12/92/94/674129294.db2.gz DGWHGUZIVIBYKZ-UHFFFAOYSA-N 2 2 367.519 0.669 10 0 FCAELP [NH3+]C1(CNC(=O)C(=O)NCCCn2cc[nH+]c2)C2CC3CC(C2)CC1C3 ZINC000419717914 246268823 /nfs/dbraw/zinc/26/88/23/246268823.db2.gz CLURXRQNNMNYST-UHFFFAOYSA-N 2 2 359.474 0.659 10 0 FCAELP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000419677952 246244773 /nfs/dbraw/zinc/24/47/73/246244773.db2.gz DGOYQALPUFMHQL-HOCLYGCPSA-N 2 2 371.441 0.570 10 0 FCAELP C[NH2+]CCCN(C)C(=O)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000419706696 246261928 /nfs/dbraw/zinc/26/19/28/246261928.db2.gz DHMUSHVTCPCTFE-UHFFFAOYSA-N 2 2 366.893 0.882 10 0 FCAELP C[NH2+]CCCN(C)C(=O)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000419706696 246261933 /nfs/dbraw/zinc/26/19/33/246261933.db2.gz DHMUSHVTCPCTFE-UHFFFAOYSA-N 2 2 366.893 0.882 10 0 FCAELP [NH3+]C[C@H](NC(=O)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)C1CC1 ZINC000419707747 246262122 /nfs/dbraw/zinc/26/21/22/246262122.db2.gz FXEPAGBKYFJIIZ-INIZCTEOSA-N 2 2 364.877 0.668 10 0 FCAELP [NH3+][C@H](CNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000419739292 246278898 /nfs/dbraw/zinc/27/88/98/246278898.db2.gz ZHEWSEVHMSCYEA-JKSUJKDBSA-N 2 2 353.426 0.593 10 0 FCAELP CN(C(=O)C(=O)NCCC[NH3+])[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419831360 246310322 /nfs/dbraw/zinc/31/03/22/246310322.db2.gz LPXIZFOFEFRKLK-SJORKVTESA-N 3 2 367.538 0.247 10 0 FCAELP CN(C(=O)C(=O)NCCC[NH3+])[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419831360 246310328 /nfs/dbraw/zinc/31/03/28/246310328.db2.gz LPXIZFOFEFRKLK-SJORKVTESA-N 3 2 367.538 0.247 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C(=O)NCCC[NH3+] ZINC000419841814 246316394 /nfs/dbraw/zinc/31/63/94/246316394.db2.gz UVJBOAOHGNRWLX-MRXNPFEDSA-N 2 2 362.474 0.201 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)NC[C@H]([NH3+])c3ccccc3)CC2)cc[nH+]1 ZINC000419916021 246369221 /nfs/dbraw/zinc/36/92/21/246369221.db2.gz PWLNDHKVLZQNEZ-INIZCTEOSA-N 2 2 368.441 0.250 10 0 FCAELP O=C(C(=O)N1CC[NH2+]C[C@H]1c1cccnc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000423653585 247095266 /nfs/dbraw/zinc/09/52/66/247095266.db2.gz ZILMTISJHULEMY-IRXDYDNUSA-N 2 2 355.442 0.027 10 0 FCAELP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000441177700 248240490 /nfs/dbraw/zinc/24/04/90/248240490.db2.gz BMEJTWXKEGSKDU-CEXWTWQISA-N 3 2 364.534 0.913 10 0 FCAELP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000441177700 248240494 /nfs/dbraw/zinc/24/04/94/248240494.db2.gz BMEJTWXKEGSKDU-CEXWTWQISA-N 3 2 364.534 0.913 10 0 FCAELP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000072858121 208041355 /nfs/dbraw/zinc/04/13/55/208041355.db2.gz DXSSPGUUOUNMJX-ZWKOTPCHSA-N 3 2 354.539 0.733 10 0 FCAELP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000072858121 208041359 /nfs/dbraw/zinc/04/13/59/208041359.db2.gz DXSSPGUUOUNMJX-ZWKOTPCHSA-N 3 2 354.539 0.733 10 0 FCAELP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000072858121 208041365 /nfs/dbraw/zinc/04/13/65/208041365.db2.gz DXSSPGUUOUNMJX-ZWKOTPCHSA-N 3 2 354.539 0.733 10 0 FCAELP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000072858121 208041371 /nfs/dbraw/zinc/04/13/71/208041371.db2.gz DXSSPGUUOUNMJX-ZWKOTPCHSA-N 3 2 354.539 0.733 10 0 FCAELP C[NH+](C)CCN1C[C@H](C(=O)NCc2cccnc2-n2cc[nH+]c2)CC1=O ZINC000081247154 208100939 /nfs/dbraw/zinc/10/09/39/208100939.db2.gz UOVQFNMOYGQIJV-OAHLLOKOSA-N 2 2 356.430 0.294 10 0 FCAELP COC(=O)[C@@H]1CSCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000413405833 533027643 /nfs/dbraw/zinc/02/76/43/533027643.db2.gz QDUQWOCOANWZJH-AWEZNQCLSA-N 2 2 372.535 0.560 10 0 FCAELP CCC(=O)N1CSC[C@H]1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000102753098 208171777 /nfs/dbraw/zinc/17/17/77/208171777.db2.gz NTIVDGQDKBIAGR-INIZCTEOSA-N 2 2 368.547 0.973 10 0 FCAELP CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cnc(N4CC[NH+](C)CC4)nc3)[C@H]2C1 ZINC000092096575 208143490 /nfs/dbraw/zinc/14/34/90/208143490.db2.gz GFHMZRYZEBMGBI-SQNIBIBYSA-N 2 2 361.490 0.997 10 0 FCAELP CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cnc(N4CC[NH+](C)CC4)nc3)[C@H]2C1 ZINC000092096575 208143495 /nfs/dbraw/zinc/14/34/95/208143495.db2.gz GFHMZRYZEBMGBI-SQNIBIBYSA-N 2 2 361.490 0.997 10 0 FCAELP COCCCNC(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129093 208213907 /nfs/dbraw/zinc/21/39/07/208213907.db2.gz AIMLYYUCHKZHAI-MRXNPFEDSA-N 2 2 351.495 0.821 10 0 FCAELP COCCCNC(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129093 208213914 /nfs/dbraw/zinc/21/39/14/208213914.db2.gz AIMLYYUCHKZHAI-MRXNPFEDSA-N 2 2 351.495 0.821 10 0 FCAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CC1 ZINC000106165085 208218370 /nfs/dbraw/zinc/21/83/70/208218370.db2.gz LMNDRSFSYLFBRY-UHFFFAOYSA-N 2 2 371.445 0.149 10 0 FCAELP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109751460 208261032 /nfs/dbraw/zinc/26/10/32/208261032.db2.gz YRCGLFSNSNCDLD-IAGOWNOFSA-N 2 2 367.538 0.959 10 0 FCAELP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000109751460 208261037 /nfs/dbraw/zinc/26/10/37/208261037.db2.gz YRCGLFSNSNCDLD-IAGOWNOFSA-N 2 2 367.538 0.959 10 0 FCAELP C[NH+]1CCN(C(=O)CC2CC[NH+](CC(=O)NCc3ccco3)CC2)CC1 ZINC000109789471 208262645 /nfs/dbraw/zinc/26/26/45/208262645.db2.gz LJDVCIAMWUJYSS-UHFFFAOYSA-N 2 2 362.474 0.772 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1cnc2ccccc2c1=O ZINC000112921442 208304545 /nfs/dbraw/zinc/30/45/45/208304545.db2.gz DAZUSRKPXRVLLY-UHFFFAOYSA-N 2 2 371.485 0.881 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1cnc2ccccc2c1=O ZINC000112921442 208304550 /nfs/dbraw/zinc/30/45/50/208304550.db2.gz DAZUSRKPXRVLLY-UHFFFAOYSA-N 2 2 371.485 0.881 10 0 FCAELP CC(=O)N1CSC[C@@H]1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000120106345 208374841 /nfs/dbraw/zinc/37/48/41/208374841.db2.gz QQLMWJFETNSYFX-MRXNPFEDSA-N 2 2 354.520 0.583 10 0 FCAELP Cc1ncsc1C[N@H+](C)C[C@H]1CCN(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000195266270 229273871 /nfs/dbraw/zinc/27/38/71/229273871.db2.gz LRTSYKMXUWHQKH-MRXNPFEDSA-N 2 2 365.547 0.979 10 0 FCAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000195266270 229273875 /nfs/dbraw/zinc/27/38/75/229273875.db2.gz LRTSYKMXUWHQKH-MRXNPFEDSA-N 2 2 365.547 0.979 10 0 FCAELP C[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@H]1CS(N)(=O)=O ZINC000933695508 674268290 /nfs/dbraw/zinc/26/82/90/674268290.db2.gz DVSXSKGUCKHHRS-QAPCUYQASA-N 2 2 367.515 0.875 10 0 FCAELP C[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@H]1CS(N)(=O)=O ZINC000933695508 674268291 /nfs/dbraw/zinc/26/82/91/674268291.db2.gz DVSXSKGUCKHHRS-QAPCUYQASA-N 2 2 367.515 0.875 10 0 FCAELP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CC[C@H]21 ZINC000934890654 674301598 /nfs/dbraw/zinc/30/15/98/674301598.db2.gz OMWZFDWCLRAVNR-MLHJIOFPSA-N 2 2 351.491 0.809 10 0 FCAELP C[N@H+]1CCC[C@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CC[C@H]21 ZINC000934890654 674301599 /nfs/dbraw/zinc/30/15/99/674301599.db2.gz OMWZFDWCLRAVNR-MLHJIOFPSA-N 2 2 351.491 0.809 10 0 FCAELP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@]4(CNC(=O)C4)C3)CC2)c1 ZINC000278908777 488904660 /nfs/dbraw/zinc/90/46/60/488904660.db2.gz QGJKVEGNKAPTRO-NRFANRHFSA-N 2 2 370.497 0.851 10 0 FCAELP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@]4(CNC(=O)C4)C3)CC2)c1 ZINC000278908777 488904664 /nfs/dbraw/zinc/90/46/64/488904664.db2.gz QGJKVEGNKAPTRO-NRFANRHFSA-N 2 2 370.497 0.851 10 0 FCAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC[C@]4(C3)NC(=O)NC4=O)c2cc1C ZINC000279113122 488918005 /nfs/dbraw/zinc/91/80/05/488918005.db2.gz STACKGWLLAVGGH-IFXJQAMLSA-N 2 2 371.441 0.688 10 0 FCAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC[C@]4(C3)NC(=O)NC4=O)c2cc1C ZINC000279113122 488918007 /nfs/dbraw/zinc/91/80/07/488918007.db2.gz STACKGWLLAVGGH-IFXJQAMLSA-N 2 2 371.441 0.688 10 0 FCAELP CN(C)C(=O)C1CC[NH+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000015297589 487578366 /nfs/dbraw/zinc/57/83/66/487578366.db2.gz HHQKIPPYGSBKKS-UHFFFAOYSA-N 2 2 354.495 0.014 10 0 FCAELP CN(C)C(=O)C1CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000044850378 487924033 /nfs/dbraw/zinc/92/40/33/487924033.db2.gz FKMAKJAZZJIILL-UHFFFAOYSA-N 2 2 373.501 0.921 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC3(CC2)OCCO3)C1 ZINC000045749487 487950425 /nfs/dbraw/zinc/95/04/25/487950425.db2.gz WBCBIIBVSXWRDK-INIZCTEOSA-N 2 2 355.479 0.298 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC3(CC2)OCCO3)C1 ZINC000045749487 487950429 /nfs/dbraw/zinc/95/04/29/487950429.db2.gz WBCBIIBVSXWRDK-INIZCTEOSA-N 2 2 355.479 0.298 10 0 FCAELP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000052592959 488173211 /nfs/dbraw/zinc/17/32/11/488173211.db2.gz MOLQIVGPSWXNLJ-CQSZACIVSA-N 2 2 372.477 0.679 10 0 FCAELP CC[N@H+]1CCC[C@@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000052592959 488173215 /nfs/dbraw/zinc/17/32/15/488173215.db2.gz MOLQIVGPSWXNLJ-CQSZACIVSA-N 2 2 372.477 0.679 10 0 FCAELP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000052644964 488175018 /nfs/dbraw/zinc/17/50/18/488175018.db2.gz IAOSVNDAMGKZFS-UHFFFAOYSA-N 2 2 357.458 0.967 10 0 FCAELP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000052644964 488175021 /nfs/dbraw/zinc/17/50/21/488175021.db2.gz IAOSVNDAMGKZFS-UHFFFAOYSA-N 2 2 357.458 0.967 10 0 FCAELP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000074353140 488390652 /nfs/dbraw/zinc/39/06/52/488390652.db2.gz PNETYUPROLXDKP-QGZVFWFLSA-N 2 2 365.522 0.714 10 0 FCAELP CC[N@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000074353140 488390654 /nfs/dbraw/zinc/39/06/54/488390654.db2.gz PNETYUPROLXDKP-QGZVFWFLSA-N 2 2 365.522 0.714 10 0 FCAELP Cc1cc(N2CCN(C(=O)C[NH2+]C3(C(N)=O)CC3)CC2)nc(C(C)C)[nH+]1 ZINC000183822702 488394308 /nfs/dbraw/zinc/39/43/08/488394308.db2.gz HXBBGEBLZWUFHU-UHFFFAOYSA-N 2 2 360.462 0.165 10 0 FCAELP COC[C@H](C)C[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000187912536 488410538 /nfs/dbraw/zinc/41/05/38/488410538.db2.gz LNPPYKZNJMVNLR-OAHLLOKOSA-N 2 2 355.504 0.995 10 0 FCAELP CC(=O)N1CC[NH+](CCNC(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000080350766 488435137 /nfs/dbraw/zinc/43/51/37/488435137.db2.gz JKERSSSZMOCCRG-UHFFFAOYSA-N 2 2 362.474 0.521 10 0 FCAELP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000554352601 491198004 /nfs/dbraw/zinc/19/80/04/491198004.db2.gz RIQGPILIPRHJTJ-IAGOWNOFSA-N 2 2 364.490 0.053 10 0 FCAELP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[N@H+](CCO)[C@@H](C)C3)CC2)CC1 ZINC000569865921 491199380 /nfs/dbraw/zinc/19/93/80/491199380.db2.gz WPGZAHUAAGGTDK-KRWDZBQOSA-N 3 2 366.550 0.708 10 0 FCAELP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)CC2)CC1 ZINC000569865921 491199382 /nfs/dbraw/zinc/19/93/82/491199382.db2.gz WPGZAHUAAGGTDK-KRWDZBQOSA-N 3 2 366.550 0.708 10 0 FCAELP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000085793326 488452160 /nfs/dbraw/zinc/45/21/60/488452160.db2.gz CKWYXMZLNJSDDZ-INIZCTEOSA-N 2 2 374.551 0.144 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000245443892 488464210 /nfs/dbraw/zinc/46/42/10/488464210.db2.gz XNJIAJMVJCRJAZ-ZFWWWQNUSA-N 2 2 367.412 0.459 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000245443892 488464213 /nfs/dbraw/zinc/46/42/13/488464213.db2.gz XNJIAJMVJCRJAZ-ZFWWWQNUSA-N 2 2 367.412 0.459 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000245443892 488464214 /nfs/dbraw/zinc/46/42/14/488464214.db2.gz XNJIAJMVJCRJAZ-ZFWWWQNUSA-N 2 2 367.412 0.459 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000245443892 488464217 /nfs/dbraw/zinc/46/42/17/488464217.db2.gz XNJIAJMVJCRJAZ-ZFWWWQNUSA-N 2 2 367.412 0.459 10 0 FCAELP CCN1CC[NH+](CCCCNC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000245871927 488466829 /nfs/dbraw/zinc/46/68/29/488466829.db2.gz LLKGEKUCSIIPBK-ROUUACIJSA-N 2 2 369.554 0.501 10 0 FCAELP CCN1CC[NH+](CCCCNC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000245871927 488466831 /nfs/dbraw/zinc/46/68/31/488466831.db2.gz LLKGEKUCSIIPBK-ROUUACIJSA-N 2 2 369.554 0.501 10 0 FCAELP CC[NH+]1CCN(CCCCNC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000245871927 488466832 /nfs/dbraw/zinc/46/68/32/488466832.db2.gz LLKGEKUCSIIPBK-ROUUACIJSA-N 2 2 369.554 0.501 10 0 FCAELP CC[NH+]1CCN(CCCCNC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000245871927 488466833 /nfs/dbraw/zinc/46/68/33/488466833.db2.gz LLKGEKUCSIIPBK-ROUUACIJSA-N 2 2 369.554 0.501 10 0 FCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000246853127 488476549 /nfs/dbraw/zinc/47/65/49/488476549.db2.gz CGYDIMKVEQDAQO-BPUTZDHNSA-N 2 2 368.503 0.690 10 0 FCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000246853127 488476550 /nfs/dbraw/zinc/47/65/50/488476550.db2.gz CGYDIMKVEQDAQO-BPUTZDHNSA-N 2 2 368.503 0.690 10 0 FCAELP O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000246890351 488477509 /nfs/dbraw/zinc/47/75/09/488477509.db2.gz CBAMHLZAOLFIKJ-OALUTQOASA-N 2 2 359.470 0.867 10 0 FCAELP O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000246890351 488477512 /nfs/dbraw/zinc/47/75/12/488477512.db2.gz CBAMHLZAOLFIKJ-OALUTQOASA-N 2 2 359.470 0.867 10 0 FCAELP O=C(NC[C@H]1C[NH+](C2CC2)CCO1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000246890351 488477515 /nfs/dbraw/zinc/47/75/15/488477515.db2.gz CBAMHLZAOLFIKJ-OALUTQOASA-N 2 2 359.470 0.867 10 0 FCAELP O=C(NC[C@H]1C[NH+](C2CC2)CCO1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000246890351 488477517 /nfs/dbraw/zinc/47/75/17/488477517.db2.gz CBAMHLZAOLFIKJ-OALUTQOASA-N 2 2 359.470 0.867 10 0 FCAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)C1 ZINC000247088137 488481570 /nfs/dbraw/zinc/48/15/70/488481570.db2.gz JLCPVQMWVJEBMB-INMHGKMJSA-N 2 2 365.522 0.709 10 0 FCAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)C1 ZINC000247088137 488481572 /nfs/dbraw/zinc/48/15/72/488481572.db2.gz JLCPVQMWVJEBMB-INMHGKMJSA-N 2 2 365.522 0.709 10 0 FCAELP C[N@H+](C[C@@H](O)CN1CCCC1=O)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249549272 488511771 /nfs/dbraw/zinc/51/17/71/488511771.db2.gz HHHLYUMYTRELDC-QUCCMNQESA-N 2 2 361.486 0.539 10 0 FCAELP C[N@@H+](C[C@@H](O)CN1CCCC1=O)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249549272 488511775 /nfs/dbraw/zinc/51/17/75/488511775.db2.gz HHHLYUMYTRELDC-QUCCMNQESA-N 2 2 361.486 0.539 10 0 FCAELP C[NH+](C[C@@H](O)CN1CCCC1=O)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249549272 488511777 /nfs/dbraw/zinc/51/17/77/488511777.db2.gz HHHLYUMYTRELDC-QUCCMNQESA-N 2 2 361.486 0.539 10 0 FCAELP C[NH+](C[C@@H](O)CN1CCCC1=O)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249549272 488511779 /nfs/dbraw/zinc/51/17/79/488511779.db2.gz HHHLYUMYTRELDC-QUCCMNQESA-N 2 2 361.486 0.539 10 0 FCAELP CC[C@H]1CN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC000106112940 488512010 /nfs/dbraw/zinc/51/20/10/488512010.db2.gz REULWFMTNAVUOP-KRWDZBQOSA-N 2 2 370.538 0.256 10 0 FCAELP CC[C@H]1CN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC000106112940 488512012 /nfs/dbraw/zinc/51/20/12/488512012.db2.gz REULWFMTNAVUOP-KRWDZBQOSA-N 2 2 370.538 0.256 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)N3CC[NH+](C4CCOCC4)CC3)ccc2[nH+]1 ZINC000271576980 488528098 /nfs/dbraw/zinc/52/80/98/488528098.db2.gz BDWFJULMHQGADY-UHFFFAOYSA-N 2 2 371.441 0.904 10 0 FCAELP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC000111866615 488532603 /nfs/dbraw/zinc/53/26/03/488532603.db2.gz ZRKULYFROACDEW-GOSISDBHSA-N 3 2 369.554 0.765 10 0 FCAELP COCC[N@H+]1CCC[C@@H]1CNC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC000111866615 488532605 /nfs/dbraw/zinc/53/26/05/488532605.db2.gz ZRKULYFROACDEW-GOSISDBHSA-N 3 2 369.554 0.765 10 0 FCAELP COCC[NH+]1CCC[C@@H]1CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000111866615 488532607 /nfs/dbraw/zinc/53/26/07/488532607.db2.gz ZRKULYFROACDEW-GOSISDBHSA-N 3 2 369.554 0.765 10 0 FCAELP COCC[NH+]1CCC[C@@H]1CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000111866615 488532608 /nfs/dbraw/zinc/53/26/08/488532608.db2.gz ZRKULYFROACDEW-GOSISDBHSA-N 3 2 369.554 0.765 10 0 FCAELP CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000112294507 488534482 /nfs/dbraw/zinc/53/44/82/488534482.db2.gz QJGQWOSIVKGTGR-QGZVFWFLSA-N 2 2 361.490 0.362 10 0 FCAELP C[C@@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)[C@H](C)[NH+]1CCOCC1 ZINC000112293458 488534536 /nfs/dbraw/zinc/53/45/36/488534536.db2.gz MAACEZSQLXGADZ-CVEARBPZSA-N 2 2 361.490 0.672 10 0 FCAELP C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(C(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000261856608 488539054 /nfs/dbraw/zinc/53/90/54/488539054.db2.gz PFVRPMVKXAJVJL-HZPDHXFCSA-N 2 2 350.507 0.968 10 0 FCAELP CCOCC[N@@H+]1CCN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)C[C@@H]1CC ZINC000117031471 488549861 /nfs/dbraw/zinc/54/98/61/488549861.db2.gz MQTHNCWGFVSEHC-SJORKVTESA-N 2 2 356.511 0.849 10 0 FCAELP CCOCC[N@H+]1CCN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)C[C@@H]1CC ZINC000117031471 488549863 /nfs/dbraw/zinc/54/98/63/488549863.db2.gz MQTHNCWGFVSEHC-SJORKVTESA-N 2 2 356.511 0.849 10 0 FCAELP CC[C@@H]1CN(C(=O)NCCCC[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC000117478681 488551222 /nfs/dbraw/zinc/55/12/22/488551222.db2.gz VJZXVQKENSZCAT-QGZVFWFLSA-N 2 2 356.511 0.851 10 0 FCAELP CC[C@@H]1CN(C(=O)NCCCC[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC000117478681 488551225 /nfs/dbraw/zinc/55/12/25/488551225.db2.gz VJZXVQKENSZCAT-QGZVFWFLSA-N 2 2 356.511 0.851 10 0 FCAELP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000121017181 488564584 /nfs/dbraw/zinc/56/45/84/488564584.db2.gz VMJZEVXDSNEIMY-INIZCTEOSA-N 2 2 366.531 0.827 10 0 FCAELP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000121017181 488564585 /nfs/dbraw/zinc/56/45/85/488564585.db2.gz VMJZEVXDSNEIMY-INIZCTEOSA-N 2 2 366.531 0.827 10 0 FCAELP C[NH+](C)CCn1c(=O)oc2ccc(NC[C@@H](O)C[NH+]3CCOCC3)cc21 ZINC000563004600 491207190 /nfs/dbraw/zinc/20/71/90/491207190.db2.gz KRTALSHCRASIAI-OAHLLOKOSA-N 2 2 364.446 0.261 10 0 FCAELP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)CC2)CC1 ZINC000263186008 488606091 /nfs/dbraw/zinc/60/60/91/488606091.db2.gz HHRQAFLNAGVASC-OAHLLOKOSA-N 2 2 372.460 0.776 10 0 FCAELP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)CC2)CC1 ZINC000263271463 488608693 /nfs/dbraw/zinc/60/86/93/488608693.db2.gz SFTTWRGSDIDGSZ-AWEZNQCLSA-N 2 2 358.433 0.386 10 0 FCAELP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000127604987 488618304 /nfs/dbraw/zinc/61/83/04/488618304.db2.gz JCNBOURONJDBNA-HXUWFJFHSA-N 2 2 372.513 0.784 10 0 FCAELP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000127604987 488618307 /nfs/dbraw/zinc/61/83/07/488618307.db2.gz JCNBOURONJDBNA-HXUWFJFHSA-N 2 2 372.513 0.784 10 0 FCAELP O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000133673551 488660988 /nfs/dbraw/zinc/66/09/88/488660988.db2.gz CBAMHLZAOLFIKJ-RTBURBONSA-N 2 2 359.470 0.867 10 0 FCAELP O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000133673551 488660991 /nfs/dbraw/zinc/66/09/91/488660991.db2.gz CBAMHLZAOLFIKJ-RTBURBONSA-N 2 2 359.470 0.867 10 0 FCAELP O=C(NC[C@@H]1C[NH+](C2CC2)CCO1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000133673551 488660994 /nfs/dbraw/zinc/66/09/94/488660994.db2.gz CBAMHLZAOLFIKJ-RTBURBONSA-N 2 2 359.470 0.867 10 0 FCAELP O=C(NC[C@@H]1C[NH+](C2CC2)CCO1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000133673551 488660996 /nfs/dbraw/zinc/66/09/96/488660996.db2.gz CBAMHLZAOLFIKJ-RTBURBONSA-N 2 2 359.470 0.867 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)N[C@H](C)CC[NH+]3CCN(C)CC3)ccc2[nH+]1 ZINC000274572349 488720633 /nfs/dbraw/zinc/72/06/33/488720633.db2.gz ZDXSDJQIGSMXTO-CQSZACIVSA-N 2 2 372.473 0.723 10 0 FCAELP CC[N@@H+]1CC[C@H](CNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000158273377 488776998 /nfs/dbraw/zinc/77/69/98/488776998.db2.gz HBTSOJODICQECO-QGZVFWFLSA-N 2 2 373.501 0.968 10 0 FCAELP CC[N@H+]1CC[C@H](CNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000158273377 488776999 /nfs/dbraw/zinc/77/69/99/488776999.db2.gz HBTSOJODICQECO-QGZVFWFLSA-N 2 2 373.501 0.968 10 0 FCAELP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccccc1OCC[NH+](C)C ZINC000267656775 488809944 /nfs/dbraw/zinc/80/99/44/488809944.db2.gz JKEOLGYRKPXEKQ-MRXNPFEDSA-N 2 2 365.474 0.392 10 0 FCAELP C[NH+](C)C[C@@H]1CN(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)CCO1 ZINC000170958597 488818659 /nfs/dbraw/zinc/81/86/59/488818659.db2.gz AWDJBVFERSQSHA-OAHLLOKOSA-N 2 2 367.519 0.940 10 0 FCAELP CC[C@@H](C)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000554761125 491223782 /nfs/dbraw/zinc/22/37/82/491223782.db2.gz PKENLRLJXHTUGG-CVEARBPZSA-N 2 2 358.446 0.865 10 0 FCAELP CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H](C)N2CC[NH+](C)CC2)nc[nH+]1 ZINC000173442145 488842819 /nfs/dbraw/zinc/84/28/19/488842819.db2.gz BUBJJIABMQZHPW-CABCVRRESA-N 2 2 361.494 0.239 10 0 FCAELP C(C[N@@H+]1CCC[C@@H]1CN1CCOCC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000173685991 488844681 /nfs/dbraw/zinc/84/46/81/488844681.db2.gz ZJVIRZJWQOFTFJ-BGYRXZFFSA-N 2 2 366.550 0.580 10 0 FCAELP C(C[N@H+]1CCC[C@@H]1CN1CCOCC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000173685991 488844682 /nfs/dbraw/zinc/84/46/82/488844682.db2.gz ZJVIRZJWQOFTFJ-BGYRXZFFSA-N 2 2 366.550 0.580 10 0 FCAELP C(C[N@@H+]1CCC[C@H]1CN1CCOCC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000173685991 488844683 /nfs/dbraw/zinc/84/46/83/488844683.db2.gz ZJVIRZJWQOFTFJ-BGYRXZFFSA-N 2 2 366.550 0.580 10 0 FCAELP C(C[N@H+]1CCC[C@H]1CN1CCOCC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000173685991 488844684 /nfs/dbraw/zinc/84/46/84/488844684.db2.gz ZJVIRZJWQOFTFJ-BGYRXZFFSA-N 2 2 366.550 0.580 10 0 FCAELP C[C@@H]1CN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C[C@H]1[NH+]1CCOCC1 ZINC000173846110 488845730 /nfs/dbraw/zinc/84/57/30/488845730.db2.gz GMAWXDDJNDCGGT-SJLPKXTDSA-N 2 2 373.501 0.626 10 0 FCAELP CC(=O)NCCCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000173925531 488846256 /nfs/dbraw/zinc/84/62/56/488846256.db2.gz ZGWAHLJINBAEDW-UHFFFAOYSA-N 2 2 353.511 0.762 10 0 FCAELP C[C@@H](O)C[N@@H+]1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)C[C@@H]1C ZINC000174317043 488848648 /nfs/dbraw/zinc/84/86/48/488848648.db2.gz WYALTTMFIVLSBK-JKSUJKDBSA-N 2 2 363.506 0.546 10 0 FCAELP C[C@@H](O)C[N@H+]1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)C[C@@H]1C ZINC000174317043 488848649 /nfs/dbraw/zinc/84/86/49/488848649.db2.gz WYALTTMFIVLSBK-JKSUJKDBSA-N 2 2 363.506 0.546 10 0 FCAELP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@H]3C[N@H+](C)CCO3)CC2)c1 ZINC000174391955 488848843 /nfs/dbraw/zinc/84/88/43/488848843.db2.gz CDMSBPXXMKKNPH-IBGZPJMESA-N 2 2 360.502 0.954 10 0 FCAELP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC000174391955 488848844 /nfs/dbraw/zinc/84/88/44/488848844.db2.gz CDMSBPXXMKKNPH-IBGZPJMESA-N 2 2 360.502 0.954 10 0 FCAELP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000174824015 488851594 /nfs/dbraw/zinc/85/15/94/488851594.db2.gz SZJMMJFDSJMHRY-QZTJIDSGSA-N 2 2 368.522 0.994 10 0 FCAELP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000174824015 488851595 /nfs/dbraw/zinc/85/15/95/488851595.db2.gz SZJMMJFDSJMHRY-QZTJIDSGSA-N 2 2 368.522 0.994 10 0 FCAELP C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174874839 488851895 /nfs/dbraw/zinc/85/18/95/488851895.db2.gz KWKUZLRQDXDGDU-CABCVRRESA-N 2 2 362.526 0.683 10 0 FCAELP C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174874839 488851896 /nfs/dbraw/zinc/85/18/96/488851896.db2.gz KWKUZLRQDXDGDU-CABCVRRESA-N 2 2 362.526 0.683 10 0 FCAELP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174900625 488852027 /nfs/dbraw/zinc/85/20/27/488852027.db2.gz XDLPKXBRBGWRNK-FGTMMUONSA-N 2 2 352.523 0.772 10 0 FCAELP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174900625 488852028 /nfs/dbraw/zinc/85/20/28/488852028.db2.gz XDLPKXBRBGWRNK-FGTMMUONSA-N 2 2 352.523 0.772 10 0 FCAELP CN1CC[C@H](NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1=O ZINC000175192791 488853353 /nfs/dbraw/zinc/85/33/53/488853353.db2.gz ADEYXZWRYDXPHH-HNNXBMFYSA-N 2 2 351.495 0.467 10 0 FCAELP C[C@@H]1CN(C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000175657914 488854848 /nfs/dbraw/zinc/85/48/48/488854848.db2.gz BZRARRUUIBBBDA-SJLPKXTDSA-N 2 2 367.538 0.375 10 0 FCAELP C[C@@H]1CN(C(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000175657914 488854849 /nfs/dbraw/zinc/85/48/49/488854849.db2.gz BZRARRUUIBBBDA-SJLPKXTDSA-N 2 2 367.538 0.375 10 0 FCAELP CCc1nc2n(n1)C[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)CC2 ZINC000175769391 488855338 /nfs/dbraw/zinc/85/53/38/488855338.db2.gz LQCUBQFRSIPDNO-AWEZNQCLSA-N 2 2 363.510 0.481 10 0 FCAELP CC[C@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC[N@@H+]1CCOC ZINC000179316006 488861022 /nfs/dbraw/zinc/86/10/22/488861022.db2.gz GVZGIBRXEWLCCE-KRWDZBQOSA-N 3 2 369.554 0.765 10 0 FCAELP CC[C@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC[N@H+]1CCOC ZINC000179316006 488861023 /nfs/dbraw/zinc/86/10/23/488861023.db2.gz GVZGIBRXEWLCCE-KRWDZBQOSA-N 3 2 369.554 0.765 10 0 FCAELP CC[C@@H](CO)[NH+]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000179408183 488861193 /nfs/dbraw/zinc/86/11/93/488861193.db2.gz IEFRHBBYOHYROF-FQEVSTJZSA-N 2 2 374.529 0.719 10 0 FCAELP CN(Cc1[nH+]ccn1C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000288557099 488992058 /nfs/dbraw/zinc/99/20/58/488992058.db2.gz ZJIJEQTUIOVOMJ-WBVHZDCISA-N 2 2 355.442 0.940 10 0 FCAELP CN(Cc1[nH+]ccn1C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000288557099 488992060 /nfs/dbraw/zinc/99/20/60/488992060.db2.gz ZJIJEQTUIOVOMJ-WBVHZDCISA-N 2 2 355.442 0.940 10 0 FCAELP CN(Cc1[nH+]ccn1C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000288557096 488992105 /nfs/dbraw/zinc/99/21/05/488992105.db2.gz ZJIJEQTUIOVOMJ-NVXWUHKLSA-N 2 2 355.442 0.940 10 0 FCAELP CN(Cc1[nH+]ccn1C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000288557096 488992107 /nfs/dbraw/zinc/99/21/07/488992107.db2.gz ZJIJEQTUIOVOMJ-NVXWUHKLSA-N 2 2 355.442 0.940 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H]([NH+](C)C)CC2)C1 ZINC000365405175 489072486 /nfs/dbraw/zinc/07/24/86/489072486.db2.gz RUHMNPFRBUBRNL-ZWKOTPCHSA-N 3 2 354.539 0.876 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H]([NH+](C)C)CC2)C1 ZINC000365405175 489072488 /nfs/dbraw/zinc/07/24/88/489072488.db2.gz RUHMNPFRBUBRNL-ZWKOTPCHSA-N 3 2 354.539 0.876 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)C1 ZINC000365405175 489072492 /nfs/dbraw/zinc/07/24/92/489072492.db2.gz RUHMNPFRBUBRNL-ZWKOTPCHSA-N 3 2 354.539 0.876 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@H]([NH+](C)C)CC2)C1 ZINC000365405175 489072493 /nfs/dbraw/zinc/07/24/93/489072493.db2.gz RUHMNPFRBUBRNL-ZWKOTPCHSA-N 3 2 354.539 0.876 10 0 FCAELP Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC000563263108 491233975 /nfs/dbraw/zinc/23/39/75/491233975.db2.gz VJBZOFYCYNMWIQ-CQSZACIVSA-N 2 2 357.458 0.933 10 0 FCAELP O=C(NC[C@H]1C[NH+]2CCN1CC2)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000365981638 489132099 /nfs/dbraw/zinc/13/20/99/489132099.db2.gz GILMHAFWPZVKOM-ZDUSSCGKSA-N 2 2 362.384 0.935 10 0 FCAELP O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000366128651 489148745 /nfs/dbraw/zinc/14/87/45/489148745.db2.gz NTLAWWOGTUYGDG-IAGOWNOFSA-N 2 2 369.469 0.985 10 0 FCAELP O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000366128651 489148746 /nfs/dbraw/zinc/14/87/46/489148746.db2.gz NTLAWWOGTUYGDG-IAGOWNOFSA-N 2 2 369.469 0.985 10 0 FCAELP O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000366128651 489148747 /nfs/dbraw/zinc/14/87/47/489148747.db2.gz NTLAWWOGTUYGDG-IAGOWNOFSA-N 2 2 369.469 0.985 10 0 FCAELP O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000366128651 489148748 /nfs/dbraw/zinc/14/87/48/489148748.db2.gz NTLAWWOGTUYGDG-IAGOWNOFSA-N 2 2 369.469 0.985 10 0 FCAELP CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000331003044 489164463 /nfs/dbraw/zinc/16/44/63/489164463.db2.gz KPKHXUBHRJQOPG-MRXNPFEDSA-N 2 2 355.504 0.825 10 0 FCAELP CC1(C)NC(=O)CC[C@@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000555065429 491237040 /nfs/dbraw/zinc/23/70/40/491237040.db2.gz QRPZPYPHHQGJHO-HNNXBMFYSA-N 2 2 359.474 0.767 10 0 FCAELP CNc1nnc(CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)s1 ZINC000368106085 489215785 /nfs/dbraw/zinc/21/57/85/489215785.db2.gz AQHAKZYZJWLPKR-UHFFFAOYSA-N 2 2 366.535 1.189 10 0 FCAELP C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000297655422 489219668 /nfs/dbraw/zinc/21/96/68/489219668.db2.gz FMJDKCQPXQPHOP-HNNXBMFYSA-N 2 2 359.474 0.699 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)NC3CC[NH+](C4CC4)CC3)CC2)cc[nH+]1 ZINC000283315144 489243360 /nfs/dbraw/zinc/24/33/60/489243360.db2.gz FFGJBOIFDVLQDG-UHFFFAOYSA-N 2 2 372.473 0.177 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)NCCC[NH+]3CCCCC3)CC2)cc[nH+]1 ZINC000283466542 489262311 /nfs/dbraw/zinc/26/23/11/489262311.db2.gz LHDCKJPFELVXHB-UHFFFAOYSA-N 2 2 374.489 0.426 10 0 FCAELP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000369858566 489283029 /nfs/dbraw/zinc/28/30/29/489283029.db2.gz KLLKPEQCARVVCX-FGTMMUONSA-N 2 2 366.506 0.746 10 0 FCAELP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000369858566 489283032 /nfs/dbraw/zinc/28/30/32/489283032.db2.gz KLLKPEQCARVVCX-FGTMMUONSA-N 2 2 366.506 0.746 10 0 FCAELP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)C1 ZINC000298118175 489293773 /nfs/dbraw/zinc/29/37/73/489293773.db2.gz PFRVMAGHDREEEO-INIZCTEOSA-N 2 2 374.489 0.376 10 0 FCAELP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3cn4c([nH+]3)CCCC4)CC[C@@H]21 ZINC000285944675 489336708 /nfs/dbraw/zinc/33/67/08/489336708.db2.gz IDGYNYCSXVFMQQ-ZBFHGGJFSA-N 2 2 359.474 0.778 10 0 FCAELP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3cn4c([nH+]3)CCCC4)CC[C@@H]21 ZINC000285944675 489336712 /nfs/dbraw/zinc/33/67/12/489336712.db2.gz IDGYNYCSXVFMQQ-ZBFHGGJFSA-N 2 2 359.474 0.778 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N3CCC([NH2+]C(C)C)CC3)CC2)cc[nH+]1 ZINC000298766297 489362256 /nfs/dbraw/zinc/36/22/56/489362256.db2.gz VOJLFUDYDLDIOI-UHFFFAOYSA-N 2 2 374.489 0.423 10 0 FCAELP COC(=O)C1([N@H+](C)CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CCCC1 ZINC000370758030 489397689 /nfs/dbraw/zinc/39/76/89/489397689.db2.gz QQTSXDFYVFEPRR-MRXNPFEDSA-N 2 2 369.506 0.877 10 0 FCAELP COC(=O)C1([N@@H+](C)CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CCCC1 ZINC000370758030 489397692 /nfs/dbraw/zinc/39/76/92/489397692.db2.gz QQTSXDFYVFEPRR-MRXNPFEDSA-N 2 2 369.506 0.877 10 0 FCAELP COC(=O)C1([NH+](C)CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CCCC1 ZINC000370758030 489397694 /nfs/dbraw/zinc/39/76/94/489397694.db2.gz QQTSXDFYVFEPRR-MRXNPFEDSA-N 2 2 369.506 0.877 10 0 FCAELP COC(=O)C1([NH+](C)CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CCCC1 ZINC000370758030 489397696 /nfs/dbraw/zinc/39/76/96/489397696.db2.gz QQTSXDFYVFEPRR-MRXNPFEDSA-N 2 2 369.506 0.877 10 0 FCAELP CCn1nc2c(cc1=O)C[N@@H+](Cc1cnc(N3CC[NH+](C)CC3)nc1)CC2 ZINC000371325020 489477340 /nfs/dbraw/zinc/47/73/40/489477340.db2.gz BOPBTPDGFSOGBF-UHFFFAOYSA-N 2 2 369.473 0.363 10 0 FCAELP CCn1nc2c(cc1=O)C[N@H+](Cc1cnc(N3CC[NH+](C)CC3)nc1)CC2 ZINC000371325020 489477343 /nfs/dbraw/zinc/47/73/43/489477343.db2.gz BOPBTPDGFSOGBF-UHFFFAOYSA-N 2 2 369.473 0.363 10 0 FCAELP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1C ZINC000423215638 489504222 /nfs/dbraw/zinc/50/42/22/489504222.db2.gz QYGJJKLFVVCPFR-HUUCEWRRSA-N 2 2 360.458 0.876 10 0 FCAELP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000415603029 489535888 /nfs/dbraw/zinc/53/58/88/489535888.db2.gz AAJISLZKXMVGOA-MAUKXSAKSA-N 2 2 373.501 0.487 10 0 FCAELP C[C@H](c1cccc(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H]2C)c1)[NH+]1CCOCC1 ZINC000415743406 489549511 /nfs/dbraw/zinc/54/95/11/489549511.db2.gz LQYQQNXRJVKRKA-KEYYUXOJSA-N 2 2 360.458 0.966 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[N@H+](CCO)[C@H](C)C2)CC1 ZINC000426482296 489569860 /nfs/dbraw/zinc/56/98/60/489569860.db2.gz KJSYGCKXVZSEAO-RTBURBONSA-N 2 2 374.529 0.890 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[N@@H+](CCO)[C@H](C)C2)CC1 ZINC000426482296 489569863 /nfs/dbraw/zinc/56/98/63/489569863.db2.gz KJSYGCKXVZSEAO-RTBURBONSA-N 2 2 374.529 0.890 10 0 FCAELP C[C@@H]1CN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C[N@@H+]1CCO ZINC000416300256 489579630 /nfs/dbraw/zinc/57/96/30/489579630.db2.gz SZUYFGRAXZSZQW-MOPGFXCFSA-N 2 2 374.529 0.718 10 0 FCAELP C[C@@H]1CN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C[N@H+]1CCO ZINC000416300256 489579632 /nfs/dbraw/zinc/57/96/32/489579632.db2.gz SZUYFGRAXZSZQW-MOPGFXCFSA-N 2 2 374.529 0.718 10 0 FCAELP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[NH2+]C[C@](C)(F)C2)CC1 ZINC000417050138 489639858 /nfs/dbraw/zinc/63/98/58/489639858.db2.gz IZANDMVKELWRFB-KRWDZBQOSA-N 2 2 357.474 0.320 10 0 FCAELP CCCC[C@@H](C[NH3+])NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000417715115 489662147 /nfs/dbraw/zinc/66/21/47/489662147.db2.gz SLDOSEXUKMWYIF-INIZCTEOSA-N 2 2 353.511 0.747 10 0 FCAELP CCCC[C@H](C[NH3+])NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000417715116 489662188 /nfs/dbraw/zinc/66/21/88/489662188.db2.gz SLDOSEXUKMWYIF-MRXNPFEDSA-N 2 2 353.511 0.747 10 0 FCAELP CCOC1CC(CNC(=O)NCC[C@H]2CCC[NH2+]C2)([NH+]2CCOCC2)C1 ZINC000418086058 489678140 /nfs/dbraw/zinc/67/81/40/489678140.db2.gz XSVQZCJRYMBSMK-LRYGQEGESA-N 2 2 368.522 0.945 10 0 FCAELP COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000418131167 489679829 /nfs/dbraw/zinc/67/98/29/489679829.db2.gz XJOQDUSQDKNBLT-MRXNPFEDSA-N 2 2 357.414 0.829 10 0 FCAELP COC(=O)CNC(=O)[C@H]1CCC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000418131167 489679832 /nfs/dbraw/zinc/67/98/32/489679832.db2.gz XJOQDUSQDKNBLT-MRXNPFEDSA-N 2 2 357.414 0.829 10 0 FCAELP CC[N@H+](CCNC(=O)N1CC[NH+](CCO)C[C@H]1C)CCC(F)(F)F ZINC000458707498 489696727 /nfs/dbraw/zinc/69/67/27/489696727.db2.gz FZRDMSVHIWCXAK-CYBMUJFWSA-N 2 2 354.417 0.969 10 0 FCAELP CC[N@@H+](CCNC(=O)N1CC[NH+](CCO)C[C@H]1C)CCC(F)(F)F ZINC000458707498 489696731 /nfs/dbraw/zinc/69/67/31/489696731.db2.gz FZRDMSVHIWCXAK-CYBMUJFWSA-N 2 2 354.417 0.969 10 0 FCAELP CC[NH+](CCNC(=O)N1CC[N@H+](CCO)C[C@H]1C)CCC(F)(F)F ZINC000458707498 489696733 /nfs/dbraw/zinc/69/67/33/489696733.db2.gz FZRDMSVHIWCXAK-CYBMUJFWSA-N 2 2 354.417 0.969 10 0 FCAELP CC[NH+](CCNC(=O)N1CC[N@@H+](CCO)C[C@H]1C)CCC(F)(F)F ZINC000458707498 489696736 /nfs/dbraw/zinc/69/67/36/489696736.db2.gz FZRDMSVHIWCXAK-CYBMUJFWSA-N 2 2 354.417 0.969 10 0 FCAELP COc1nccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n1 ZINC000374677710 489704329 /nfs/dbraw/zinc/70/43/29/489704329.db2.gz SMESUUILKYSUFY-UHFFFAOYSA-N 2 2 362.478 1.557 10 0 FCAELP Cn1c[nH+]cc1CC[NH+]1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000459370719 489729485 /nfs/dbraw/zinc/72/94/85/489729485.db2.gz GLCVMDYOHUJTEQ-UHFFFAOYSA-N 2 2 352.446 0.756 10 0 FCAELP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000570962427 491276820 /nfs/dbraw/zinc/27/68/20/491276820.db2.gz CKBHYRMVOFHMMD-BPQIPLTHSA-N 2 2 374.485 0.385 10 0 FCAELP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000570962427 491276823 /nfs/dbraw/zinc/27/68/23/491276823.db2.gz CKBHYRMVOFHMMD-BPQIPLTHSA-N 2 2 374.485 0.385 10 0 FCAELP C[C@@H]1COCC[NH+]1CCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000570962427 491276826 /nfs/dbraw/zinc/27/68/26/491276826.db2.gz CKBHYRMVOFHMMD-BPQIPLTHSA-N 2 2 374.485 0.385 10 0 FCAELP C[C@@H]1COCC[NH+]1CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000570962427 491276828 /nfs/dbraw/zinc/27/68/28/491276828.db2.gz CKBHYRMVOFHMMD-BPQIPLTHSA-N 2 2 374.485 0.385 10 0 FCAELP COc1cccc([C@H]2[C@H](NC(=O)C(=O)N3CC[NH2+]CC3)CC[N@@H+]2C2CC2)c1 ZINC000418879643 489771931 /nfs/dbraw/zinc/77/19/31/489771931.db2.gz NLVLFJCBUIYNBM-MSOLQXFVSA-N 2 2 372.469 0.521 10 0 FCAELP COc1cccc([C@H]2[C@H](NC(=O)C(=O)N3CC[NH2+]CC3)CC[N@H+]2C2CC2)c1 ZINC000418879643 489771933 /nfs/dbraw/zinc/77/19/33/489771933.db2.gz NLVLFJCBUIYNBM-MSOLQXFVSA-N 2 2 372.469 0.521 10 0 FCAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000418883474 489774915 /nfs/dbraw/zinc/77/49/15/489774915.db2.gz CCEOMIRZTMEZIY-ZFWWWQNUSA-N 2 2 357.458 0.965 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]CC2)[C@H]1c1ccc(Cl)cc1 ZINC000418899125 489781092 /nfs/dbraw/zinc/78/10/92/489781092.db2.gz BMAURERCPISJOI-LSDHHAIUSA-N 2 2 350.850 0.633 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]CC2)[C@H]1c1ccc(Cl)cc1 ZINC000418899125 489781097 /nfs/dbraw/zinc/78/10/97/489781097.db2.gz BMAURERCPISJOI-LSDHHAIUSA-N 2 2 350.850 0.633 10 0 FCAELP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CC[NH+](CCOC)CC2)CC1 ZINC000459886044 489781484 /nfs/dbraw/zinc/78/14/84/489781484.db2.gz MURQCQYTFNAGLS-UHFFFAOYSA-N 2 2 368.522 0.357 10 0 FCAELP CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418903195 489783156 /nfs/dbraw/zinc/78/31/56/489783156.db2.gz HPPXZZRFAJOLOD-JKSUJKDBSA-N 2 2 368.428 0.942 10 0 FCAELP CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418903195 489783157 /nfs/dbraw/zinc/78/31/57/489783157.db2.gz HPPXZZRFAJOLOD-JKSUJKDBSA-N 2 2 368.428 0.942 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2C[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418904058 489783374 /nfs/dbraw/zinc/78/33/74/489783374.db2.gz INCVRKGEAYMSAW-GJZGRUSLSA-N 2 2 368.840 0.676 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)NCC2C[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418904058 489783378 /nfs/dbraw/zinc/78/33/78/489783378.db2.gz INCVRKGEAYMSAW-GJZGRUSLSA-N 2 2 368.840 0.676 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)cc1 ZINC000418906245 489784273 /nfs/dbraw/zinc/78/42/73/489784273.db2.gz KSYFSNVZMVQYJI-KKUMJFAQSA-N 2 2 350.850 0.680 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)cc1 ZINC000418906245 489784277 /nfs/dbraw/zinc/78/42/77/489784277.db2.gz KSYFSNVZMVQYJI-KKUMJFAQSA-N 2 2 350.850 0.680 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418906521 489785161 /nfs/dbraw/zinc/78/51/61/489785161.db2.gz LANMRBHPVSFKJS-KGLIPLIRSA-N 2 2 356.829 0.806 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418906521 489785164 /nfs/dbraw/zinc/78/51/64/489785164.db2.gz LANMRBHPVSFKJS-KGLIPLIRSA-N 2 2 356.829 0.806 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[NH2+]CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000418907226 489785479 /nfs/dbraw/zinc/78/54/79/489785479.db2.gz LULZPEPWWHFSJX-JKSUJKDBSA-N 2 2 366.412 0.648 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[NH2+]CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000418907226 489785484 /nfs/dbraw/zinc/78/54/84/489785484.db2.gz LULZPEPWWHFSJX-JKSUJKDBSA-N 2 2 366.412 0.648 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@H]1c1ccc(F)c(F)c1 ZINC000418913249 489787359 /nfs/dbraw/zinc/78/73/59/489787359.db2.gz SFPGQJRLARRJKU-TUKIKUTGSA-N 2 2 352.385 0.304 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@H]1c1ccc(F)c(F)c1 ZINC000418913249 489787364 /nfs/dbraw/zinc/78/73/64/489787364.db2.gz SFPGQJRLARRJKU-TUKIKUTGSA-N 2 2 352.385 0.304 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@H]1c1ccc(F)c(F)c1 ZINC000418913242 489787629 /nfs/dbraw/zinc/78/76/29/489787629.db2.gz SFPGQJRLARRJKU-BYCMXARLSA-N 2 2 352.385 0.304 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@H]1c1ccc(F)c(F)c1 ZINC000418913242 489787633 /nfs/dbraw/zinc/78/76/33/489787633.db2.gz SFPGQJRLARRJKU-BYCMXARLSA-N 2 2 352.385 0.304 10 0 FCAELP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418916147 489789628 /nfs/dbraw/zinc/78/96/28/489789628.db2.gz WHDLTTWVSJRVPL-QCZZGDTMSA-N 2 2 356.829 0.804 10 0 FCAELP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418916147 489789630 /nfs/dbraw/zinc/78/96/30/489789630.db2.gz WHDLTTWVSJRVPL-QCZZGDTMSA-N 2 2 356.829 0.804 10 0 FCAELP CC[NH+](CC)CC1CCN(C(=O)C(=O)N(C)CC[NH+]2CCOCC2)CC1 ZINC000459963199 489805705 /nfs/dbraw/zinc/80/57/05/489805705.db2.gz ZFMSWAYBCDALKP-UHFFFAOYSA-N 2 2 368.522 0.357 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)c1 ZINC000418998713 489813230 /nfs/dbraw/zinc/81/32/30/489813230.db2.gz VXTNYSFMZZAJKE-UHFFFAOYSA-N 2 2 359.474 0.349 10 0 FCAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCO[C@]3(CCCOC3)C2)CC1 ZINC000376921863 489818603 /nfs/dbraw/zinc/81/86/03/489818603.db2.gz ZXZURRODXURCCI-GOSISDBHSA-N 2 2 354.495 0.603 10 0 FCAELP CNc1nc(C)cc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000376931151 489820415 /nfs/dbraw/zinc/82/04/15/489820415.db2.gz MFJDQUFKPIZESI-XYPWUTKMSA-N 2 2 358.490 1.210 10 0 FCAELP CNc1nc(C)cc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000376931151 489820420 /nfs/dbraw/zinc/82/04/20/489820420.db2.gz MFJDQUFKPIZESI-XYPWUTKMSA-N 2 2 358.490 1.210 10 0 FCAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)C(=O)N2CC[C@H]([NH3+])C2)c(C)c1 ZINC000419108671 489857502 /nfs/dbraw/zinc/85/75/02/489857502.db2.gz MAHLJLRFGMTCPL-DOTOQJQBSA-N 2 2 355.442 0.917 10 0 FCAELP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000419113417 489860559 /nfs/dbraw/zinc/86/05/59/489860559.db2.gz GQOFFHXSQGGTJS-IRXDYDNUSA-N 2 2 362.474 0.276 10 0 FCAELP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000420005743 489878958 /nfs/dbraw/zinc/87/89/58/489878958.db2.gz XAPSDTKOJUSGLO-RDJZCZTQSA-N 2 2 359.474 0.545 10 0 FCAELP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000420144695 489929616 /nfs/dbraw/zinc/92/96/16/489929616.db2.gz NRKUDMSNIVSSOO-UKRRQHHQSA-N 2 2 350.488 0.507 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000420157872 489934786 /nfs/dbraw/zinc/93/47/86/489934786.db2.gz ALQBXXWFHXDMFE-UHFFFAOYSA-N 2 2 357.458 0.465 10 0 FCAELP CCC(CC)[C@@H](CNC(=O)CN1CC[NH+](CC)CC1)[NH+]1CCOCC1 ZINC000462033717 489951863 /nfs/dbraw/zinc/95/18/63/489951863.db2.gz XFJSDUBXXBRYGT-GOSISDBHSA-N 2 2 354.539 0.877 10 0 FCAELP CC[NH+]1CCN(CC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000462063165 489954488 /nfs/dbraw/zinc/95/44/88/489954488.db2.gz ZRAILVGOXMRMRY-LJQANCHMSA-N 2 2 360.502 0.814 10 0 FCAELP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000477681869 489983992 /nfs/dbraw/zinc/98/39/92/489983992.db2.gz WXGKSDZRLLMYQH-UHFFFAOYSA-N 2 2 363.462 0.343 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(F)(F)[C@@H](CO)C2)C1 ZINC000463224675 490005582 /nfs/dbraw/zinc/00/55/82/490005582.db2.gz FSYJXRRRKXTJKK-HUUCEWRRSA-N 2 2 363.449 0.409 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(F)(F)[C@@H](CO)C2)C1 ZINC000463224675 490005584 /nfs/dbraw/zinc/00/55/84/490005584.db2.gz FSYJXRRRKXTJKK-HUUCEWRRSA-N 2 2 363.449 0.409 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)C1 ZINC000463224675 490005585 /nfs/dbraw/zinc/00/55/85/490005585.db2.gz FSYJXRRRKXTJKK-HUUCEWRRSA-N 2 2 363.449 0.409 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC(F)(F)[C@@H](CO)C2)C1 ZINC000463224675 490005588 /nfs/dbraw/zinc/00/55/88/490005588.db2.gz FSYJXRRRKXTJKK-HUUCEWRRSA-N 2 2 363.449 0.409 10 0 FCAELP C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000571246516 491295345 /nfs/dbraw/zinc/29/53/45/491295345.db2.gz DRFVGDVCZIOEOI-QAPCUYQASA-N 2 2 352.523 0.506 10 0 FCAELP C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000571246516 491295348 /nfs/dbraw/zinc/29/53/48/491295348.db2.gz DRFVGDVCZIOEOI-QAPCUYQASA-N 2 2 352.523 0.506 10 0 FCAELP CC(=O)N1CC[NH+](CCOCC[N@H+]2CCN(C(C)=O)C[C@@H]2C)[C@H](C)C1 ZINC000532647384 490089611 /nfs/dbraw/zinc/08/96/11/490089611.db2.gz METAOJVEBLXOCO-IYBDPMFKSA-N 2 2 354.495 0.108 10 0 FCAELP CC(=O)N1CC[NH+](CCOCC[N@@H+]2CCN(C(C)=O)C[C@@H]2C)[C@H](C)C1 ZINC000532647384 490089617 /nfs/dbraw/zinc/08/96/17/490089617.db2.gz METAOJVEBLXOCO-IYBDPMFKSA-N 2 2 354.495 0.108 10 0 FCAELP CC(=O)N1CC[N@@H+](CCOCC[NH+]2CCN(C(C)=O)C[C@@H]2C)[C@H](C)C1 ZINC000532647384 490089623 /nfs/dbraw/zinc/08/96/23/490089623.db2.gz METAOJVEBLXOCO-IYBDPMFKSA-N 2 2 354.495 0.108 10 0 FCAELP CC(=O)N1CC[N@H+](CCOCC[NH+]2CCN(C(C)=O)C[C@@H]2C)[C@H](C)C1 ZINC000532647384 490089627 /nfs/dbraw/zinc/08/96/27/490089627.db2.gz METAOJVEBLXOCO-IYBDPMFKSA-N 2 2 354.495 0.108 10 0 FCAELP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C[C@H]1C ZINC000556168147 491299045 /nfs/dbraw/zinc/29/90/45/491299045.db2.gz GXTFSMLAAOYICR-CVEARBPZSA-N 2 2 354.495 0.156 10 0 FCAELP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C[C@H]1C ZINC000556168147 491299047 /nfs/dbraw/zinc/29/90/47/491299047.db2.gz GXTFSMLAAOYICR-CVEARBPZSA-N 2 2 354.495 0.156 10 0 FCAELP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000520230262 490119057 /nfs/dbraw/zinc/11/90/57/490119057.db2.gz IXQSBIHYHUOWRH-ZWKOTPCHSA-N 2 2 365.474 0.821 10 0 FCAELP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1 ZINC000520230262 490119063 /nfs/dbraw/zinc/11/90/63/490119063.db2.gz IXQSBIHYHUOWRH-ZWKOTPCHSA-N 2 2 365.474 0.821 10 0 FCAELP O=C(NCCCC[N@H+]1CCC[C@@H]1CO)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000520267762 490125130 /nfs/dbraw/zinc/12/51/30/490125130.db2.gz ZUVKLWWMDTWBMG-OAHLLOKOSA-N 2 2 359.430 0.626 10 0 FCAELP O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000520267762 490125140 /nfs/dbraw/zinc/12/51/40/490125140.db2.gz ZUVKLWWMDTWBMG-OAHLLOKOSA-N 2 2 359.430 0.626 10 0 FCAELP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000571331842 491301230 /nfs/dbraw/zinc/30/12/30/491301230.db2.gz XPPXXISALBJKRE-IAGOWNOFSA-N 2 2 368.522 0.546 10 0 FCAELP CC[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1nnc2n1CCCCC2 ZINC000520396993 490142914 /nfs/dbraw/zinc/14/29/14/490142914.db2.gz YDNQKBFMZXEVAL-HOTGVXAUSA-N 2 2 350.511 0.654 10 0 FCAELP [NH3+]CCC[N@@H+]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000392120096 490145730 /nfs/dbraw/zinc/14/57/30/490145730.db2.gz VNEBEVLQSPUSGY-UHFFFAOYSA-N 2 2 355.460 0.503 10 0 FCAELP [NH3+]CCC[N@H+]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000392120096 490145736 /nfs/dbraw/zinc/14/57/36/490145736.db2.gz VNEBEVLQSPUSGY-UHFFFAOYSA-N 2 2 355.460 0.503 10 0 FCAELP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000556227309 491304326 /nfs/dbraw/zinc/30/43/26/491304326.db2.gz JAVQKGPNNHMYRL-SFHVURJKSA-N 2 2 369.469 0.958 10 0 FCAELP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000556227309 491304328 /nfs/dbraw/zinc/30/43/28/491304328.db2.gz JAVQKGPNNHMYRL-SFHVURJKSA-N 2 2 369.469 0.958 10 0 FCAELP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000556245413 491305560 /nfs/dbraw/zinc/30/55/60/491305560.db2.gz JTRAUVSUZOXDDU-INIZCTEOSA-N 2 2 359.474 0.767 10 0 FCAELP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000556245413 491305563 /nfs/dbraw/zinc/30/55/63/491305563.db2.gz JTRAUVSUZOXDDU-INIZCTEOSA-N 2 2 359.474 0.767 10 0 FCAELP CCCC[N@H+](C)CCNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000497641728 490188376 /nfs/dbraw/zinc/18/83/76/490188376.db2.gz GEVOQWGSPCIDKO-UHFFFAOYSA-N 2 2 367.538 0.962 10 0 FCAELP CCCC[N@@H+](C)CCNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000497641728 490188381 /nfs/dbraw/zinc/18/83/81/490188381.db2.gz GEVOQWGSPCIDKO-UHFFFAOYSA-N 2 2 367.538 0.962 10 0 FCAELP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000408075246 490240769 /nfs/dbraw/zinc/24/07/69/490240769.db2.gz YOYUGWDDSHEUKX-IXDOHACOSA-N 2 2 365.522 0.807 10 0 FCAELP O=C(CN1CC[NH+](C2CC2)CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000521481503 490267664 /nfs/dbraw/zinc/26/76/64/490267664.db2.gz AGAIRVSSQOTWGE-UHFFFAOYSA-N 2 2 372.513 0.915 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000507930107 490279684 /nfs/dbraw/zinc/27/96/84/490279684.db2.gz WFAFWJFHLGMMBJ-XYTVBORESA-N 2 2 366.506 0.297 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000507930107 490279687 /nfs/dbraw/zinc/27/96/87/490279687.db2.gz WFAFWJFHLGMMBJ-XYTVBORESA-N 2 2 366.506 0.297 10 0 FCAELP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000521624815 490283543 /nfs/dbraw/zinc/28/35/43/490283543.db2.gz BTSQHMFBIARLBP-GOEBONIOSA-N 2 2 353.426 0.399 10 0 FCAELP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000521624816 490283606 /nfs/dbraw/zinc/28/36/06/490283606.db2.gz BTSQHMFBIARLBP-HOCLYGCPSA-N 2 2 353.426 0.399 10 0 FCAELP COCC[NH+]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000498438668 490295120 /nfs/dbraw/zinc/29/51/20/490295120.db2.gz BOYSTEQCWWBXEI-UHFFFAOYSA-N 2 2 360.502 0.595 10 0 FCAELP C[C@@H]1OCC[C@@H]1[N@H+](CCO)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000483291024 490301527 /nfs/dbraw/zinc/30/15/27/490301527.db2.gz JDVSGBMLBBRPHH-RDJZCZTQSA-N 2 2 367.515 0.864 10 0 FCAELP C[C@@H]1OCC[C@@H]1[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000483291024 490301533 /nfs/dbraw/zinc/30/15/33/490301533.db2.gz JDVSGBMLBBRPHH-RDJZCZTQSA-N 2 2 367.515 0.864 10 0 FCAELP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000547645801 490335249 /nfs/dbraw/zinc/33/52/49/490335249.db2.gz MRODXLUKGSRPSI-VQIMIIECSA-N 2 2 373.497 0.980 10 0 FCAELP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000547645801 490335252 /nfs/dbraw/zinc/33/52/52/490335252.db2.gz MRODXLUKGSRPSI-VQIMIIECSA-N 2 2 373.497 0.980 10 0 FCAELP O=C(NCc1ccc2c[nH+]cn2c1)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000422469472 490338897 /nfs/dbraw/zinc/33/88/97/490338897.db2.gz DCUBTBPZMSUYEK-QGZVFWFLSA-N 2 2 371.441 0.274 10 0 FCAELP C[NH+]1CCC([C@H]2OCC[C@@H]2C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000408473935 490345911 /nfs/dbraw/zinc/34/59/11/490345911.db2.gz UDZOBSLAMAYICE-DLBZAZTESA-N 2 2 353.507 0.960 10 0 FCAELP C[NH+]1CCC([C@H]2OCC[C@@H]2C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000408473935 490345918 /nfs/dbraw/zinc/34/59/18/490345918.db2.gz UDZOBSLAMAYICE-DLBZAZTESA-N 2 2 353.507 0.960 10 0 FCAELP CCCNC(=O)C[NH+]1CCC(Nc2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000498911881 490364112 /nfs/dbraw/zinc/36/41/12/490364112.db2.gz UBGHTHOVBUUVMQ-UHFFFAOYSA-N 2 2 362.478 0.716 10 0 FCAELP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](NC(N)=O)C2)CC1 ZINC000556619828 491323212 /nfs/dbraw/zinc/32/32/12/491323212.db2.gz PVAWUAKXZHJZPJ-SFHVURJKSA-N 2 2 373.501 0.818 10 0 FCAELP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](NC(N)=O)C2)CC1 ZINC000556619828 491323214 /nfs/dbraw/zinc/32/32/14/491323214.db2.gz PVAWUAKXZHJZPJ-SFHVURJKSA-N 2 2 373.501 0.818 10 0 FCAELP CCN(CCC[NH+](C)C)C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000468732841 490441613 /nfs/dbraw/zinc/44/16/13/490441613.db2.gz FZLBMCDHANBSTP-HNNXBMFYSA-N 2 2 364.494 0.894 10 0 FCAELP O=C1NC2(CCCC2)C(=O)N1CCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422780546 490476143 /nfs/dbraw/zinc/47/61/43/490476143.db2.gz HRBNGTOYKDITSF-GJZGRUSLSA-N 2 2 350.463 0.598 10 0 FCAELP O=C(CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)N1CCN(c2cccc[nH+]2)CC1 ZINC000422844499 490484915 /nfs/dbraw/zinc/48/49/15/490484915.db2.gz LYQYVRUMKTXFKS-YLJYHZDGSA-N 3 2 373.501 0.477 10 0 FCAELP O=C(CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)N1CCN(c2ccccn2)CC1 ZINC000422844499 490484922 /nfs/dbraw/zinc/48/49/22/490484922.db2.gz LYQYVRUMKTXFKS-YLJYHZDGSA-N 2 2 373.501 0.477 10 0 FCAELP C[C@@H](CO)[C@@H](C)[NH2+]CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000450734930 490485181 /nfs/dbraw/zinc/48/51/81/490485181.db2.gz XQOOQKFXNWQBKZ-JKSUJKDBSA-N 2 2 361.486 0.872 10 0 FCAELP C[NH+](C)C1CC[NH+](CCNC(=O)NCC(=O)NCc2ccco2)CC1 ZINC000535430406 490489755 /nfs/dbraw/zinc/48/97/55/490489755.db2.gz FUAHLCLVZAYNKG-UHFFFAOYSA-N 2 2 351.451 0.221 10 0 FCAELP CCCCNc1cc(N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)nc(N)[nH+]1 ZINC000450894240 490494829 /nfs/dbraw/zinc/49/48/29/490494829.db2.gz UVHNUCXBNVYTOF-AWEZNQCLSA-N 2 2 361.494 1.062 10 0 FCAELP CC[NH+]1CCN(c2ccc(CNc3cc(NC[C@H](C)O)[nH+]cn3)cn2)CC1 ZINC000413058314 490496684 /nfs/dbraw/zinc/49/66/84/490496684.db2.gz HJDYSFPLCDDAOY-HNNXBMFYSA-N 2 2 371.489 1.418 10 0 FCAELP CC[NH+]1CCN(c2ccc(CNc3cc(NC[C@H](C)O)nc[nH+]3)cn2)CC1 ZINC000413058314 490496688 /nfs/dbraw/zinc/49/66/88/490496688.db2.gz HJDYSFPLCDDAOY-HNNXBMFYSA-N 2 2 371.489 1.418 10 0 FCAELP O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422953581 490504780 /nfs/dbraw/zinc/50/47/80/490504780.db2.gz FSRTYGYAUBTVAK-UHFFFAOYSA-N 2 2 353.426 0.843 10 0 FCAELP CC(=O)[C@](C)(O)C[NH+]1CCCC2(CCC[N@@H+](C[C@@](C)(O)C(C)=O)C2)C1 ZINC000451042342 490510954 /nfs/dbraw/zinc/51/09/54/490510954.db2.gz COZJHAVRMJJOMG-PWCSWUJKSA-N 2 2 354.491 0.844 10 0 FCAELP CC(=O)[C@](C)(O)C[NH+]1CCCC2(CCC[N@H+](C[C@@](C)(O)C(C)=O)C2)C1 ZINC000451042342 490510956 /nfs/dbraw/zinc/51/09/56/490510956.db2.gz COZJHAVRMJJOMG-PWCSWUJKSA-N 2 2 354.491 0.844 10 0 FCAELP CN(Cc1[nH+]ccn1C)C(=O)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000423025385 490523385 /nfs/dbraw/zinc/52/33/85/490523385.db2.gz LQVAHOAHCZNSNB-CVEARBPZSA-N 2 2 373.432 0.861 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](N3CCCC3=O)C2)C1 ZINC000536371986 490573876 /nfs/dbraw/zinc/57/38/76/490573876.db2.gz YQWKOSBHYYGMKZ-IAGOWNOFSA-N 2 2 366.506 0.156 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](N3CCCC3=O)C2)C1 ZINC000536371986 490573879 /nfs/dbraw/zinc/57/38/79/490573879.db2.gz YQWKOSBHYYGMKZ-IAGOWNOFSA-N 2 2 366.506 0.156 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)C1 ZINC000536371986 490573884 /nfs/dbraw/zinc/57/38/84/490573884.db2.gz YQWKOSBHYYGMKZ-IAGOWNOFSA-N 2 2 366.506 0.156 10 0 FCAELP 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0.641 10 0 FCAELP CCOC(=O)c1cnc(N2CC[NH+](CCN3CC[NH2+]CC3)CC2)s1 ZINC000573371494 491429528 /nfs/dbraw/zinc/42/95/28/491429528.db2.gz FVJKXCFMLZUKGI-UHFFFAOYSA-N 2 2 353.492 0.347 10 0 FCAELP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000573409165 491431897 /nfs/dbraw/zinc/43/18/97/491431897.db2.gz NTBLSLZNFROYMW-MRXNPFEDSA-N 3 2 369.554 0.317 10 0 FCAELP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000573409165 491431898 /nfs/dbraw/zinc/43/18/98/491431898.db2.gz NTBLSLZNFROYMW-MRXNPFEDSA-N 3 2 369.554 0.317 10 0 FCAELP O=C(NCCCn1cc[nH+]c1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000559346436 491466717 /nfs/dbraw/zinc/46/67/17/491466717.db2.gz FRMOMCAUYOPCAU-UHFFFAOYSA-N 2 2 356.430 0.570 10 0 FCAELP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000574038323 491470261 /nfs/dbraw/zinc/47/02/61/491470261.db2.gz ASQNUXXAZCLISV-HZPDHXFCSA-N 2 2 359.474 0.625 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 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DUKDQRXFFSXITD-CHWSQXEVSA-N 2 2 359.396 0.962 10 0 FCAELP C[NH+]1CCN(Cc2ccc(C(=O)NC[C@@H]3C[N@@H+]4CCN3CCC4)cc2)CC1 ZINC000614506779 492035248 /nfs/dbraw/zinc/03/52/48/492035248.db2.gz IJSGFEKRFBOTAV-HXUWFJFHSA-N 2 2 371.529 0.554 10 0 FCAELP C[NH+]1CCN(Cc2ccc(C(=O)NC[C@@H]3C[N@H+]4CCN3CCC4)cc2)CC1 ZINC000614506779 492035250 /nfs/dbraw/zinc/03/52/50/492035250.db2.gz IJSGFEKRFBOTAV-HXUWFJFHSA-N 2 2 371.529 0.554 10 0 FCAELP CN1CC[NH+](Cc2ccc(C(=O)NC[C@@H]3C[N@@H+]4CCN3CCC4)cc2)CC1 ZINC000614506779 492035254 /nfs/dbraw/zinc/03/52/54/492035254.db2.gz IJSGFEKRFBOTAV-HXUWFJFHSA-N 2 2 371.529 0.554 10 0 FCAELP CN1CC[NH+](Cc2ccc(C(=O)NC[C@@H]3C[N@H+]4CCN3CCC4)cc2)CC1 ZINC000614506779 492035256 /nfs/dbraw/zinc/03/52/56/492035256.db2.gz IJSGFEKRFBOTAV-HXUWFJFHSA-N 2 2 371.529 0.554 10 0 FCAELP CC(C)C(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604208395 492055161 /nfs/dbraw/zinc/05/51/61/492055161.db2.gz FCWNVOWIIKOVLA-INIZCTEOSA-N 2 2 365.522 0.665 10 0 FCAELP CC(C)C(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604208395 492055162 /nfs/dbraw/zinc/05/51/62/492055162.db2.gz FCWNVOWIIKOVLA-INIZCTEOSA-N 2 2 365.522 0.665 10 0 FCAELP C[NH+]1CCN(Cc2ccc(C(=O)N3CC(C[NH+]4CCOCC4)C3)cc2)CC1 ZINC000615145824 492075666 /nfs/dbraw/zinc/07/56/66/492075666.db2.gz KMYMDXVDFLSNKD-UHFFFAOYSA-N 2 2 372.513 0.838 10 0 FCAELP CN1CC[NH+](Cc2ccc(C(=O)N3CC(C[NH+]4CCOCC4)C3)cc2)CC1 ZINC000615145824 492075667 /nfs/dbraw/zinc/07/56/67/492075667.db2.gz KMYMDXVDFLSNKD-UHFFFAOYSA-N 2 2 372.513 0.838 10 0 FCAELP COC(=O)CCNC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000599088750 492134305 /nfs/dbraw/zinc/13/43/05/492134305.db2.gz MNEPIVLQDHASAE-WBVHZDCISA-N 2 2 362.474 0.951 10 0 FCAELP COC(=O)CCNC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000599088750 492134308 /nfs/dbraw/zinc/13/43/08/492134308.db2.gz MNEPIVLQDHASAE-WBVHZDCISA-N 2 2 362.474 0.951 10 0 FCAELP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000617015203 492152229 /nfs/dbraw/zinc/15/22/29/492152229.db2.gz XONJSTDGJHTANG-CVEARBPZSA-N 2 2 366.506 0.156 10 0 FCAELP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000617015203 492152233 /nfs/dbraw/zinc/15/22/33/492152233.db2.gz XONJSTDGJHTANG-CVEARBPZSA-N 2 2 366.506 0.156 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnc2c(c1)NC(=O)CS2 ZINC000617765468 492189716 /nfs/dbraw/zinc/18/97/16/492189716.db2.gz BWKJDHUBNPOLSN-UHFFFAOYSA-N 2 2 351.476 0.739 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnc2c(c1)NC(=O)CS2 ZINC000617765468 492189717 /nfs/dbraw/zinc/18/97/17/492189717.db2.gz BWKJDHUBNPOLSN-UHFFFAOYSA-N 2 2 351.476 0.739 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000617765704 492189841 /nfs/dbraw/zinc/18/98/41/492189841.db2.gz MSJFDTBRLIYZRL-UHFFFAOYSA-N 3 2 362.522 0.447 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000617765704 492189843 /nfs/dbraw/zinc/18/98/43/492189843.db2.gz MSJFDTBRLIYZRL-UHFFFAOYSA-N 3 2 362.522 0.447 10 0 FCAELP COc1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1-n1cnnn1 ZINC000617764922 492190182 /nfs/dbraw/zinc/19/01/82/492190182.db2.gz MDTXALKEHJXMKJ-UHFFFAOYSA-N 2 2 361.450 0.284 10 0 FCAELP COc1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1-n1cnnn1 ZINC000617764922 492190183 /nfs/dbraw/zinc/19/01/83/492190183.db2.gz MDTXALKEHJXMKJ-UHFFFAOYSA-N 2 2 361.450 0.284 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@]1(c2ccccc2)CCC(=O)NC1 ZINC000617763982 492190230 /nfs/dbraw/zinc/19/02/30/492190230.db2.gz DSDSEOHLCPJSEJ-FQEVSTJZSA-N 2 2 360.502 0.834 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@]1(c2ccccc2)CCC(=O)NC1 ZINC000617763982 492190232 /nfs/dbraw/zinc/19/02/32/492190232.db2.gz DSDSEOHLCPJSEJ-FQEVSTJZSA-N 2 2 360.502 0.834 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cn1cc(Br)ccc1=O ZINC000617768247 492190582 /nfs/dbraw/zinc/19/05/82/492190582.db2.gz VVCGTLHWTVTVNA-UHFFFAOYSA-N 2 2 373.295 0.611 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cn1cc(Br)ccc1=O ZINC000617768247 492190585 /nfs/dbraw/zinc/19/05/85/492190585.db2.gz VVCGTLHWTVTVNA-UHFFFAOYSA-N 2 2 373.295 0.611 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000617768434 492190605 /nfs/dbraw/zinc/19/06/05/492190605.db2.gz CZHWJPRYALIZMY-UHFFFAOYSA-N 2 2 355.504 0.845 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000617768434 492190606 /nfs/dbraw/zinc/19/06/06/492190606.db2.gz CZHWJPRYALIZMY-UHFFFAOYSA-N 2 2 355.504 0.845 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000617767044 492190729 /nfs/dbraw/zinc/19/07/29/492190729.db2.gz DKCAEEVUSNMUNL-MRXNPFEDSA-N 2 2 361.490 0.430 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000617767044 492190730 /nfs/dbraw/zinc/19/07/30/492190730.db2.gz DKCAEEVUSNMUNL-MRXNPFEDSA-N 2 2 361.490 0.430 10 0 FCAELP CN(C)S(=O)(=O)c1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)o1 ZINC000617768179 492190832 /nfs/dbraw/zinc/19/08/32/492190832.db2.gz SMNVDJUKZXXGFM-UHFFFAOYSA-N 2 2 360.480 0.143 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000617768457 492190817 /nfs/dbraw/zinc/19/08/17/492190817.db2.gz DYPVATIMDRWEQB-GJZGRUSLSA-N 2 2 352.479 0.161 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000617768457 492190819 /nfs/dbraw/zinc/19/08/19/492190819.db2.gz DYPVATIMDRWEQB-GJZGRUSLSA-N 2 2 352.479 0.161 10 0 FCAELP CN(C)S(=O)(=O)c1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)o1 ZINC000617768179 492190833 /nfs/dbraw/zinc/19/08/33/492190833.db2.gz SMNVDJUKZXXGFM-UHFFFAOYSA-N 2 2 360.480 0.143 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000617768750 492191248 /nfs/dbraw/zinc/19/12/48/492191248.db2.gz SUSVRWRKPKUHCV-HZPDHXFCSA-N 2 2 366.506 0.551 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000617768750 492191249 /nfs/dbraw/zinc/19/12/49/492191249.db2.gz SUSVRWRKPKUHCV-HZPDHXFCSA-N 2 2 366.506 0.551 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(N2C(=O)CCC2=O)c1 ZINC000617768892 492191448 /nfs/dbraw/zinc/19/14/48/492191448.db2.gz YFIMMGYUUXTVMV-UHFFFAOYSA-N 2 2 360.458 0.953 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(N2C(=O)CCC2=O)c1 ZINC000617768892 492191449 /nfs/dbraw/zinc/19/14/49/492191449.db2.gz YFIMMGYUUXTVMV-UHFFFAOYSA-N 2 2 360.458 0.953 10 0 FCAELP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000617887403 492201788 /nfs/dbraw/zinc/20/17/88/492201788.db2.gz LFIQDPJYMTUXQW-GOSISDBHSA-N 2 2 374.485 0.710 10 0 FCAELP C[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000617887403 492201791 /nfs/dbraw/zinc/20/17/91/492201791.db2.gz LFIQDPJYMTUXQW-GOSISDBHSA-N 2 2 374.485 0.710 10 0 FCAELP C[N@@H+]1CCO[C@@H](C(=O)NC2(C[NH+]3CCN(c4ccccc4)CC3)CC2)C1 ZINC000619065865 492249299 /nfs/dbraw/zinc/24/92/99/492249299.db2.gz LSJJRBXYWOOSIZ-GOSISDBHSA-N 2 2 358.486 0.788 10 0 FCAELP C[N@H+]1CCO[C@@H](C(=O)NC2(C[NH+]3CCN(c4ccccc4)CC3)CC2)C1 ZINC000619065865 492249301 /nfs/dbraw/zinc/24/93/01/492249301.db2.gz LSJJRBXYWOOSIZ-GOSISDBHSA-N 2 2 358.486 0.788 10 0 FCAELP Cc1cc(NCCNC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)nc(C(C)C)[nH+]1 ZINC000627429681 492292999 /nfs/dbraw/zinc/29/29/99/492292999.db2.gz UUBNUERMAZUOGA-CQSZACIVSA-N 2 2 364.494 0.926 10 0 FCAELP [NH3+]C/C=C/CNC(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000641862712 492319235 /nfs/dbraw/zinc/31/92/35/492319235.db2.gz PZWLFNDFEZWOSP-ONEGZZNKSA-N 2 2 363.437 0.398 10 0 FCAELP C[C@H](C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000620724245 492328350 /nfs/dbraw/zinc/32/83/50/492328350.db2.gz YMJLWTXAJHAKEH-QUCCMNQESA-N 2 2 373.545 0.555 10 0 FCAELP C[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000620724245 492328354 /nfs/dbraw/zinc/32/83/54/492328354.db2.gz YMJLWTXAJHAKEH-QUCCMNQESA-N 2 2 373.545 0.555 10 0 FCAELP C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000642052448 492329862 /nfs/dbraw/zinc/32/98/62/492329862.db2.gz AJSAXTVFLAOOPU-NWDGAFQWSA-N 2 2 354.401 0.509 10 0 FCAELP C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000642052448 492329867 /nfs/dbraw/zinc/32/98/67/492329867.db2.gz AJSAXTVFLAOOPU-NWDGAFQWSA-N 2 2 354.401 0.509 10 0 FCAELP CCn1nc(C)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000627517646 492330359 /nfs/dbraw/zinc/33/03/59/492330359.db2.gz JUKLIMFIZVFJHW-CQSZACIVSA-N 2 2 362.478 0.435 10 0 FCAELP CCn1nc(C)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000627517646 492330366 /nfs/dbraw/zinc/33/03/66/492330366.db2.gz JUKLIMFIZVFJHW-CQSZACIVSA-N 2 2 362.478 0.435 10 0 FCAELP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CCO1 ZINC000642519133 492360649 /nfs/dbraw/zinc/36/06/49/492360649.db2.gz GEHJAFOPGDPHRS-MFKMUULPSA-N 2 2 365.821 0.179 10 0 FCAELP C[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)C(=O)N1CCCCC1 ZINC000647904119 492380779 /nfs/dbraw/zinc/38/07/79/492380779.db2.gz WZCXPEUEBFYUEN-ULQDDVLXSA-N 2 2 350.507 0.968 10 0 FCAELP 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/nfs/dbraw/zinc/57/71/74/492577174.db2.gz KZLCOYNWOJMJQY-QAPCUYQASA-N 2 2 354.495 0.602 10 0 FCAELP C[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656300469 492577842 /nfs/dbraw/zinc/57/78/42/492577842.db2.gz PGOAONJDZVITJA-VVLHAWIVSA-N 2 2 368.522 0.448 10 0 FCAELP C[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656300469 492577847 /nfs/dbraw/zinc/57/78/47/492577847.db2.gz PGOAONJDZVITJA-VVLHAWIVSA-N 2 2 368.522 0.448 10 0 FCAELP COC[C@@]1(C)CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000623639269 492577996 /nfs/dbraw/zinc/57/79/96/492577996.db2.gz KZLCOYNWOJMJQY-CRAIPNDOSA-N 2 2 354.495 0.602 10 0 FCAELP COC[C@@]1(C)CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000623639269 492577998 /nfs/dbraw/zinc/57/79/98/492577998.db2.gz KZLCOYNWOJMJQY-CRAIPNDOSA-N 2 2 354.495 0.602 10 0 FCAELP C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2C[NH+](Cc3ccncc3)CCO2)C1 ZINC000623721480 492587058 /nfs/dbraw/zinc/58/70/58/492587058.db2.gz ANTOYAVXDNJLSG-ZWKOTPCHSA-N 2 2 361.490 0.923 10 0 FCAELP C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2C[NH+](Cc3ccncc3)CCO2)C1 ZINC000623721480 492587065 /nfs/dbraw/zinc/58/70/65/492587065.db2.gz ANTOYAVXDNJLSG-ZWKOTPCHSA-N 2 2 361.490 0.923 10 0 FCAELP C[NH+]1CCC[C@@H](CNC(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)C1 ZINC000623721480 492587068 /nfs/dbraw/zinc/58/70/68/492587068.db2.gz ANTOYAVXDNJLSG-ZWKOTPCHSA-N 2 2 361.490 0.923 10 0 FCAELP C[NH+]1CCC[C@@H](CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)C1 ZINC000623721480 492587071 /nfs/dbraw/zinc/58/70/71/492587071.db2.gz ANTOYAVXDNJLSG-ZWKOTPCHSA-N 2 2 361.490 0.923 10 0 FCAELP Cc1cccn2cc(CCNC(=O)C(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)[nH+]c12 ZINC000656316246 492589277 /nfs/dbraw/zinc/58/92/77/492589277.db2.gz PWRXSWWQOPXIGI-FZNQNYSPSA-N 2 2 357.458 0.758 10 0 FCAELP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656337670 492600897 /nfs/dbraw/zinc/60/08/97/492600897.db2.gz WHQSAFAHPRFWBS-FPCVCCKLSA-N 2 2 356.511 0.447 10 0 FCAELP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656337670 492600901 /nfs/dbraw/zinc/60/09/01/492600901.db2.gz WHQSAFAHPRFWBS-FPCVCCKLSA-N 2 2 356.511 0.447 10 0 FCAELP C[C@H](CNC(=O)C(=O)NC1CCC([NH+](C)C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656340166 492602935 /nfs/dbraw/zinc/60/29/35/492602935.db2.gz NXGNVDNBQCEELD-BKYIEACKSA-N 2 2 368.522 0.589 10 0 FCAELP C[C@H](CNC(=O)C(=O)NC1CCC([NH+](C)C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656340166 492602937 /nfs/dbraw/zinc/60/29/37/492602937.db2.gz NXGNVDNBQCEELD-BKYIEACKSA-N 2 2 368.522 0.589 10 0 FCAELP CC(C)C[N@H+](C)CCCNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000650045671 492608563 /nfs/dbraw/zinc/60/85/63/492608563.db2.gz JTDYLRDBXVTBPI-UHFFFAOYSA-N 2 2 366.510 1.315 10 0 FCAELP CC(C)C[N@@H+](C)CCCNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000650045671 492608567 /nfs/dbraw/zinc/60/85/67/492608567.db2.gz JTDYLRDBXVTBPI-UHFFFAOYSA-N 2 2 366.510 1.315 10 0 FCAELP CN(C)S(=O)(=O)N1CC([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000624283661 492634422 /nfs/dbraw/zinc/63/44/22/492634422.db2.gz WDVLZOOCTBHKBB-UHFFFAOYSA-N 2 2 353.492 0.126 10 0 FCAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cn(C)c(=O)n(C)c2=O)cc1 ZINC000656790439 492648982 /nfs/dbraw/zinc/64/89/82/492648982.db2.gz SHQBMHDGRQGFQD-ROUUACIJSA-N 2 2 372.469 0.718 10 0 FCAELP O=S(=O)(CC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)c1ccccn1 ZINC000629591388 492657328 /nfs/dbraw/zinc/65/73/28/492657328.db2.gz HKSNGPNBMBPNEQ-INIZCTEOSA-N 2 2 353.488 0.946 10 0 FCAELP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000629785897 492671115 /nfs/dbraw/zinc/67/11/15/492671115.db2.gz HICDJXHZOSDNQC-KRWDZBQOSA-N 2 2 362.474 0.196 10 0 FCAELP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000629785897 492671118 /nfs/dbraw/zinc/67/11/18/492671118.db2.gz HICDJXHZOSDNQC-KRWDZBQOSA-N 2 2 362.474 0.196 10 0 FCAELP CC(C)[NH+]1CCC(N2CCN(C(=O)NC[C@@H]3COCC[N@@H+]3C)CC2)CC1 ZINC000624735443 492676610 /nfs/dbraw/zinc/67/66/10/492676610.db2.gz VONSAGZASPVRGF-GOSISDBHSA-N 2 2 367.538 0.517 10 0 FCAELP CC(C)[NH+]1CCC(N2CCN(C(=O)NC[C@@H]3COCC[N@H+]3C)CC2)CC1 ZINC000624735443 492676614 /nfs/dbraw/zinc/67/66/14/492676614.db2.gz VONSAGZASPVRGF-GOSISDBHSA-N 2 2 367.538 0.517 10 0 FCAELP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3C[NH+](Cc4ccncc4)CCO3)C[C@@H]21 ZINC000624932009 492698111 /nfs/dbraw/zinc/69/81/11/492698111.db2.gz UMHKPIKJIGYIJT-KURKYZTESA-N 2 2 359.474 0.628 10 0 FCAELP C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3C[NH+](Cc4ccncc4)CCO3)C[C@@H]21 ZINC000624932009 492698115 /nfs/dbraw/zinc/69/81/15/492698115.db2.gz UMHKPIKJIGYIJT-KURKYZTESA-N 2 2 359.474 0.628 10 0 FCAELP C[NH+]1CC[C@@H]2CN(C(=O)NC[C@@H]3C[N@H+](Cc4ccncc4)CCO3)C[C@@H]21 ZINC000624932009 492698120 /nfs/dbraw/zinc/69/81/20/492698120.db2.gz UMHKPIKJIGYIJT-KURKYZTESA-N 2 2 359.474 0.628 10 0 FCAELP C[NH+]1CC[C@@H]2CN(C(=O)NC[C@@H]3C[N@@H+](Cc4ccncc4)CCO3)C[C@@H]21 ZINC000624932009 492698124 /nfs/dbraw/zinc/69/81/24/492698124.db2.gz UMHKPIKJIGYIJT-KURKYZTESA-N 2 2 359.474 0.628 10 0 FCAELP Cc1ccc(S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1C(N)=O ZINC000657071738 492708959 /nfs/dbraw/zinc/70/89/59/492708959.db2.gz UERKFEPWSBIZHQ-AWEZNQCLSA-N 2 2 370.519 0.644 10 0 FCAELP Cc1ccc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1C(N)=O ZINC000657071738 492708961 /nfs/dbraw/zinc/70/89/61/492708961.db2.gz UERKFEPWSBIZHQ-AWEZNQCLSA-N 2 2 370.519 0.644 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cccc2c1OCO2 ZINC000657071211 492709065 /nfs/dbraw/zinc/70/90/65/492709065.db2.gz IUVMYWVYDFZXSZ-ZDUSSCGKSA-N 2 2 357.476 0.966 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cccc2c1OCO2 ZINC000657071211 492709067 /nfs/dbraw/zinc/70/90/67/492709067.db2.gz IUVMYWVYDFZXSZ-ZDUSSCGKSA-N 2 2 357.476 0.966 10 0 FCAELP C[N@H+](CC(=O)NC[C@]1(CO)COCC[NH+]1Cc1ccccc1)C1CCC1 ZINC000630017578 492717351 /nfs/dbraw/zinc/71/73/51/492717351.db2.gz PBDWKYQCANORDU-FQEVSTJZSA-N 2 2 361.486 0.850 10 0 FCAELP C[N@@H+](CC(=O)NC[C@]1(CO)COCC[NH+]1Cc1ccccc1)C1CCC1 ZINC000630017578 492717354 /nfs/dbraw/zinc/71/73/54/492717354.db2.gz PBDWKYQCANORDU-FQEVSTJZSA-N 2 2 361.486 0.850 10 0 FCAELP C[NH+](CC(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1)C1CCC1 ZINC000630017578 492717358 /nfs/dbraw/zinc/71/73/58/492717358.db2.gz PBDWKYQCANORDU-FQEVSTJZSA-N 2 2 361.486 0.850 10 0 FCAELP C[NH+](CC(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1)C1CCC1 ZINC000630017578 492717361 /nfs/dbraw/zinc/71/73/61/492717361.db2.gz PBDWKYQCANORDU-FQEVSTJZSA-N 2 2 361.486 0.850 10 0 FCAELP Cc1cccc2[nH+]c(CCNC(=O)N3CCN(CC[NH+](C)C)C(=O)C3)cn21 ZINC000651175628 492718459 /nfs/dbraw/zinc/71/84/59/492718459.db2.gz FUQUSACCUNTIBS-UHFFFAOYSA-N 2 2 372.473 0.601 10 0 FCAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)CC2 ZINC000625086686 492722156 /nfs/dbraw/zinc/72/21/56/492722156.db2.gz YKLIPXUIMSTNAB-HZPDHXFCSA-N 2 2 361.490 0.813 10 0 FCAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)CC2 ZINC000625086686 492722160 /nfs/dbraw/zinc/72/21/60/492722160.db2.gz YKLIPXUIMSTNAB-HZPDHXFCSA-N 2 2 361.490 0.813 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCC(NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000651299785 492736901 /nfs/dbraw/zinc/73/69/01/492736901.db2.gz VUFYZNVFPHRQDF-UHFFFAOYSA-N 2 2 361.490 0.821 10 0 FCAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCN(C(=O)C[NH+]3CCCC3)CC1)CC2 ZINC000625243450 492744264 /nfs/dbraw/zinc/74/42/64/492744264.db2.gz MPMDSFKTGMQEHG-INIZCTEOSA-N 2 2 359.474 0.521 10 0 FCAELP C[NH+](C)CCN1C(=O)C[C@@H]([NH+]2CCN(c3cccc4[nH]ccc43)CC2)C1=O ZINC000630383947 492744326 /nfs/dbraw/zinc/74/43/26/492744326.db2.gz RBYGHPFHQSIDLJ-GOSISDBHSA-N 2 2 369.469 0.979 10 0 FCAELP CC[NH+]1CCN(C(=O)C(=O)N2CCC(CC)([NH+]3CCOCC3)CC2)CC1 ZINC000625353931 492760937 /nfs/dbraw/zinc/76/09/37/492760937.db2.gz QALAXFMXBCJWRU-UHFFFAOYSA-N 2 2 366.506 0.254 10 0 FCAELP CNC(=O)C[NH+]1CCC(NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000630720971 492769989 /nfs/dbraw/zinc/76/99/89/492769989.db2.gz PJJKGWBXVSKIGZ-UHFFFAOYSA-N 2 2 355.442 0.741 10 0 FCAELP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000657651670 492771546 /nfs/dbraw/zinc/77/15/46/492771546.db2.gz KZHXLTFFJHZSIG-OAHLLOKOSA-N 2 2 359.430 0.808 10 0 FCAELP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000657651670 492771550 /nfs/dbraw/zinc/77/15/50/492771550.db2.gz KZHXLTFFJHZSIG-OAHLLOKOSA-N 2 2 359.430 0.808 10 0 FCAELP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000657651669 492771766 /nfs/dbraw/zinc/77/17/66/492771766.db2.gz KZHXLTFFJHZSIG-HNNXBMFYSA-N 2 2 359.430 0.808 10 0 FCAELP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000657651669 492771767 /nfs/dbraw/zinc/77/17/67/492771767.db2.gz KZHXLTFFJHZSIG-HNNXBMFYSA-N 2 2 359.430 0.808 10 0 FCAELP CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccn3cc(C)[nH+]c3c2)CC1 ZINC000657714592 492781643 /nfs/dbraw/zinc/78/16/43/492781643.db2.gz BIOGLNBJPJDEPK-HNNXBMFYSA-N 2 2 359.430 0.496 10 0 FCAELP CN(CC[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000625461111 492788476 /nfs/dbraw/zinc/78/84/76/492788476.db2.gz AAEUOCCDXWBEHO-QGZVFWFLSA-N 2 2 366.506 0.300 10 0 FCAELP CN(CC[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000625461111 492788480 /nfs/dbraw/zinc/78/84/80/492788480.db2.gz AAEUOCCDXWBEHO-QGZVFWFLSA-N 2 2 366.506 0.300 10 0 FCAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000644646140 492796109 /nfs/dbraw/zinc/79/61/09/492796109.db2.gz PMXKDWGZJICIOW-ZWKOTPCHSA-N 2 2 369.531 0.883 10 0 FCAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000644646140 492796112 /nfs/dbraw/zinc/79/61/12/492796112.db2.gz PMXKDWGZJICIOW-ZWKOTPCHSA-N 2 2 369.531 0.883 10 0 FCAELP C[NH+](C)[C@@H](CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)Cc1ccccc1 ZINC000631664398 492830941 /nfs/dbraw/zinc/83/09/41/492830941.db2.gz SJOMUSIVBVHNAI-IAGOWNOFSA-N 2 2 355.504 0.409 10 0 FCAELP C[NH+](C)[C@@H](CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)Cc1ccccc1 ZINC000631664398 492830944 /nfs/dbraw/zinc/83/09/44/492830944.db2.gz SJOMUSIVBVHNAI-IAGOWNOFSA-N 2 2 355.504 0.409 10 0 FCAELP C[NH+](C)CCN(Cc1ccc(F)cc1)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631776212 492851293 /nfs/dbraw/zinc/85/12/93/492851293.db2.gz HXSVAVQHFBFIQX-QGZVFWFLSA-N 2 2 373.494 0.850 10 0 FCAELP C[NH+](C)CCN(Cc1ccc(F)cc1)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631776212 492851295 /nfs/dbraw/zinc/85/12/95/492851295.db2.gz HXSVAVQHFBFIQX-QGZVFWFLSA-N 2 2 373.494 0.850 10 0 FCAELP Cc1ccc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1S(=O)(=O)N(C)C ZINC000631843678 492859968 /nfs/dbraw/zinc/85/99/68/492859968.db2.gz RLFQLAYXHXNMCA-ZIAGYGMSSA-N 2 2 368.503 0.710 10 0 FCAELP Cc1ccc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1S(=O)(=O)N(C)C ZINC000631843678 492859971 /nfs/dbraw/zinc/85/99/71/492859971.db2.gz RLFQLAYXHXNMCA-ZIAGYGMSSA-N 2 2 368.503 0.710 10 0 FCAELP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@@H](C[NH3+])[C@H](C)C3)CC2)cc1 ZINC000631840565 492860101 /nfs/dbraw/zinc/86/01/01/492860101.db2.gz UCLZNBFVWZEFJV-SJLPKXTDSA-N 3 2 360.502 0.866 10 0 FCAELP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@@H](C[NH3+])[C@H](C)C3)CC2)cc1 ZINC000631840565 492860104 /nfs/dbraw/zinc/86/01/04/492860104.db2.gz UCLZNBFVWZEFJV-SJLPKXTDSA-N 3 2 360.502 0.866 10 0 FCAELP COc1ncccc1NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000658335196 492861012 /nfs/dbraw/zinc/86/10/12/492861012.db2.gz MYMQSDXRUKUEQZ-ZDUSSCGKSA-N 2 2 351.451 0.417 10 0 FCAELP COc1ncccc1NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000658335196 492861015 /nfs/dbraw/zinc/86/10/15/492861015.db2.gz MYMQSDXRUKUEQZ-ZDUSSCGKSA-N 2 2 351.451 0.417 10 0 FCAELP Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(=O)n(C)c1 ZINC000658335572 492861939 /nfs/dbraw/zinc/86/19/39/492861939.db2.gz BYSBMVHJJQADFE-AWEZNQCLSA-N 2 2 365.478 0.020 10 0 FCAELP Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(=O)n(C)c1 ZINC000658335572 492861942 /nfs/dbraw/zinc/86/19/42/492861942.db2.gz BYSBMVHJJQADFE-AWEZNQCLSA-N 2 2 365.478 0.020 10 0 FCAELP COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631885819 492869729 /nfs/dbraw/zinc/86/97/29/492869729.db2.gz FCYZUHLBKAFVOU-CVEARBPZSA-N 2 2 374.485 0.978 10 0 FCAELP COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631885819 492869733 /nfs/dbraw/zinc/86/97/33/492869733.db2.gz FCYZUHLBKAFVOU-CVEARBPZSA-N 2 2 374.485 0.978 10 0 FCAELP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000658419693 492878943 /nfs/dbraw/zinc/87/89/43/492878943.db2.gz IQTROQKGGGODQB-KGLIPLIRSA-N 2 2 372.429 0.431 10 0 FCAELP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000658419693 492878946 /nfs/dbraw/zinc/87/89/46/492878946.db2.gz IQTROQKGGGODQB-KGLIPLIRSA-N 2 2 372.429 0.431 10 0 FCAELP CCO[C@@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@H]1C[NH3+] ZINC000652143162 492885978 /nfs/dbraw/zinc/88/59/78/492885978.db2.gz PWZFSYGIVCOXIW-CRAIPNDOSA-N 3 2 367.538 0.550 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1nc2c(s1)CCC2 ZINC000658428038 492886589 /nfs/dbraw/zinc/88/65/89/492886589.db2.gz HDUDPFMADCXJCY-UHFFFAOYSA-N 2 2 353.492 0.570 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1nc2c(s1)CCC2 ZINC000658428038 492886592 /nfs/dbraw/zinc/88/65/92/492886592.db2.gz HDUDPFMADCXJCY-UHFFFAOYSA-N 2 2 353.492 0.570 10 0 FCAELP COC1CC[NH+](C(C)(C)CNS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000631923729 492887123 /nfs/dbraw/zinc/88/71/23/492887123.db2.gz XNSIMQJWNAFJJL-OAHLLOKOSA-N 2 2 363.524 0.126 10 0 FCAELP COC1CC[NH+](C(C)(C)CNS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CC1 ZINC000631923729 492887121 /nfs/dbraw/zinc/88/71/21/492887121.db2.gz XNSIMQJWNAFJJL-OAHLLOKOSA-N 2 2 363.524 0.126 10 0 FCAELP Cn1nc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1C1CC1 ZINC000658429465 492887985 /nfs/dbraw/zinc/88/79/85/492887985.db2.gz YLVDGWMDAPEISB-UHFFFAOYSA-N 2 2 350.467 0.236 10 0 FCAELP Cn1nc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1C1CC1 ZINC000658429465 492887989 /nfs/dbraw/zinc/88/79/89/492887989.db2.gz YLVDGWMDAPEISB-UHFFFAOYSA-N 2 2 350.467 0.236 10 0 FCAELP COc1ccccc1[C@H]1C[NH2+]CCN1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631936221 492892351 /nfs/dbraw/zinc/89/23/51/492892351.db2.gz XHSITVBSZCRSBB-MRXNPFEDSA-N 2 2 368.503 0.570 10 0 FCAELP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000658443116 492893316 /nfs/dbraw/zinc/89/33/16/492893316.db2.gz KDVSPKVXXAGWNY-UHFFFAOYSA-N 2 2 350.488 0.412 10 0 FCAELP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000645335871 492894691 /nfs/dbraw/zinc/89/46/91/492894691.db2.gz MLAMBCXCYBCNIZ-HNNXBMFYSA-N 2 2 359.430 0.808 10 0 FCAELP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000645335871 492894695 /nfs/dbraw/zinc/89/46/95/492894695.db2.gz MLAMBCXCYBCNIZ-HNNXBMFYSA-N 2 2 359.430 0.808 10 0 FCAELP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000631952370 492896498 /nfs/dbraw/zinc/89/64/98/492896498.db2.gz FVBOLDPBLYTXNH-HZPDHXFCSA-N 2 2 372.535 0.148 10 0 FCAELP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652240277 492897500 /nfs/dbraw/zinc/89/75/00/492897500.db2.gz VUEAOXGSUHZMJL-HNNXBMFYSA-N 2 2 351.495 0.454 10 0 FCAELP C[N@@H+]1CCO[C@@H](CS(=O)(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000631970989 492901206 /nfs/dbraw/zinc/90/12/06/492901206.db2.gz IRJKAWRWMSVBEQ-QZTJIDSGSA-N 2 2 367.515 0.901 10 0 FCAELP C[N@H+]1CCO[C@@H](CS(=O)(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000631970989 492901214 /nfs/dbraw/zinc/90/12/14/492901214.db2.gz IRJKAWRWMSVBEQ-QZTJIDSGSA-N 2 2 367.515 0.901 10 0 FCAELP C[NH+]1CCO[C@@H](CS(=O)(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000631970989 492901222 /nfs/dbraw/zinc/90/12/22/492901222.db2.gz IRJKAWRWMSVBEQ-QZTJIDSGSA-N 2 2 367.515 0.901 10 0 FCAELP C[NH+]1CCO[C@@H](CS(=O)(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000631970989 492901226 /nfs/dbraw/zinc/90/12/26/492901226.db2.gz IRJKAWRWMSVBEQ-QZTJIDSGSA-N 2 2 367.515 0.901 10 0 FCAELP C[NH2+]Cc1ccccc1CNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000652286991 492906466 /nfs/dbraw/zinc/90/64/66/492906466.db2.gz LBQZFZDBCDSQFO-HNNXBMFYSA-N 2 2 373.501 0.900 10 0 FCAELP CC[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652335928 492911167 /nfs/dbraw/zinc/91/11/67/492911167.db2.gz RKLBWOFCIQBKHQ-QGZVFWFLSA-N 2 2 365.499 0.458 10 0 FCAELP CC[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652335928 492911171 /nfs/dbraw/zinc/91/11/71/492911171.db2.gz RKLBWOFCIQBKHQ-QGZVFWFLSA-N 2 2 365.499 0.458 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H](C)[C@H]2CC[NH3+])C1 ZINC000652354835 492914649 /nfs/dbraw/zinc/91/46/49/492914649.db2.gz JMYDVOHGWWUAJB-KZNAEPCWSA-N 3 2 354.539 0.909 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H](C)[C@H]2CC[NH3+])C1 ZINC000652354835 492914651 /nfs/dbraw/zinc/91/46/51/492914651.db2.gz JMYDVOHGWWUAJB-KZNAEPCWSA-N 3 2 354.539 0.909 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])C1 ZINC000652354835 492914653 /nfs/dbraw/zinc/91/46/53/492914653.db2.gz JMYDVOHGWWUAJB-KZNAEPCWSA-N 3 2 354.539 0.909 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])C1 ZINC000652354835 492914655 /nfs/dbraw/zinc/91/46/55/492914655.db2.gz JMYDVOHGWWUAJB-KZNAEPCWSA-N 3 2 354.539 0.909 10 0 FCAELP CCO[C@@H]1C[N@H+](CC(=O)NCc2cccc(C(=O)NC3CC3)c2)C[C@H]1C[NH3+] ZINC000652356809 492914834 /nfs/dbraw/zinc/91/48/34/492914834.db2.gz ITKRDQXNOZZLPI-SJLPKXTDSA-N 2 2 374.485 0.491 10 0 FCAELP CCO[C@@H]1C[N@@H+](CC(=O)NCc2cccc(C(=O)NC3CC3)c2)C[C@H]1C[NH3+] ZINC000652356809 492914837 /nfs/dbraw/zinc/91/48/37/492914837.db2.gz ITKRDQXNOZZLPI-SJLPKXTDSA-N 2 2 374.485 0.491 10 0 FCAELP CCO[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C[C@H]1C[NH3+] ZINC000652356531 492914919 /nfs/dbraw/zinc/91/49/19/492914919.db2.gz QFCGIALUTZXKMN-YQVWRLOYSA-N 2 2 360.502 0.925 10 0 FCAELP CCO[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C[C@H]1C[NH3+] ZINC000652356531 492914920 /nfs/dbraw/zinc/91/49/20/492914920.db2.gz QFCGIALUTZXKMN-YQVWRLOYSA-N 2 2 360.502 0.925 10 0 FCAELP CCO[C@@H]1C[N@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)C[C@H]1C[NH3+] ZINC000652356519 492915080 /nfs/dbraw/zinc/91/50/80/492915080.db2.gz OPWIKJOKBQJXTK-IAGOWNOFSA-N 2 2 366.531 0.688 10 0 FCAELP CCO[C@@H]1C[N@@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)C[C@H]1C[NH3+] ZINC000652356519 492915084 /nfs/dbraw/zinc/91/50/84/492915084.db2.gz OPWIKJOKBQJXTK-IAGOWNOFSA-N 2 2 366.531 0.688 10 0 FCAELP C[N@H+](Cc1ccccc1)[C@H]1CCN(S(=O)(=O)C[C@@H]2C[NH+](C)CCO2)C1 ZINC000632041100 492917438 /nfs/dbraw/zinc/91/74/38/492917438.db2.gz AQKOOXOFNBEZNH-ROUUACIJSA-N 2 2 367.515 0.853 10 0 FCAELP C[N@@H+](Cc1ccccc1)[C@H]1CCN(S(=O)(=O)C[C@@H]2C[NH+](C)CCO2)C1 ZINC000632041100 492917442 /nfs/dbraw/zinc/91/74/42/492917442.db2.gz AQKOOXOFNBEZNH-ROUUACIJSA-N 2 2 367.515 0.853 10 0 FCAELP C[NH+](Cc1ccccc1)[C@H]1CCN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)C1 ZINC000632041100 492917446 /nfs/dbraw/zinc/91/74/46/492917446.db2.gz AQKOOXOFNBEZNH-ROUUACIJSA-N 2 2 367.515 0.853 10 0 FCAELP C[NH+](Cc1ccccc1)[C@H]1CCN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000632041100 492917449 /nfs/dbraw/zinc/91/74/49/492917449.db2.gz AQKOOXOFNBEZNH-ROUUACIJSA-N 2 2 367.515 0.853 10 0 FCAELP C[C@H](NC(=O)[C@H](C)N1CC[NH2+]CC1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638307255 492932122 /nfs/dbraw/zinc/93/21/22/492932122.db2.gz INBQGHQADTZGDN-XYJFISCASA-N 2 2 358.486 0.834 10 0 FCAELP C[C@H](NC(=O)[C@H](C)N1CC[NH2+]CC1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638307255 492932127 /nfs/dbraw/zinc/93/21/27/492932127.db2.gz INBQGHQADTZGDN-XYJFISCASA-N 2 2 358.486 0.834 10 0 FCAELP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000652453395 492936512 /nfs/dbraw/zinc/93/65/12/492936512.db2.gz GHXWDNDFLOOKAD-CALCHBBNSA-N 2 2 370.538 0.648 10 0 FCAELP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000652453395 492936515 /nfs/dbraw/zinc/93/65/15/492936515.db2.gz GHXWDNDFLOOKAD-CALCHBBNSA-N 2 2 370.538 0.648 10 0 FCAELP CC(C)C[NH+](C)CCCNC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000652453395 492936517 /nfs/dbraw/zinc/93/65/17/492936517.db2.gz GHXWDNDFLOOKAD-CALCHBBNSA-N 2 2 370.538 0.648 10 0 FCAELP CC(C)C[NH+](C)CCCNC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000652453395 492936523 /nfs/dbraw/zinc/93/65/23/492936523.db2.gz GHXWDNDFLOOKAD-CALCHBBNSA-N 2 2 370.538 0.648 10 0 FCAELP CC(=O)NC[C@@H]1CCCC[NH+]1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000626154798 492938934 /nfs/dbraw/zinc/93/89/34/492938934.db2.gz XNZZUDCXQFGYEB-ZWKOTPCHSA-N 2 2 368.522 0.450 10 0 FCAELP CC(=O)NC[C@@H]1CCCC[NH+]1CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000626154798 492938937 /nfs/dbraw/zinc/93/89/37/492938937.db2.gz XNZZUDCXQFGYEB-ZWKOTPCHSA-N 2 2 368.522 0.450 10 0 FCAELP CC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000626154798 492938941 /nfs/dbraw/zinc/93/89/41/492938941.db2.gz XNZZUDCXQFGYEB-ZWKOTPCHSA-N 2 2 368.522 0.450 10 0 FCAELP CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000626154798 492938944 /nfs/dbraw/zinc/93/89/44/492938944.db2.gz XNZZUDCXQFGYEB-ZWKOTPCHSA-N 2 2 368.522 0.450 10 0 FCAELP C[N@@H+]1CCOC[C@H]1CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638610240 492966021 /nfs/dbraw/zinc/96/60/21/492966021.db2.gz JNZOQBPBWSUGAM-GOSISDBHSA-N 3 2 360.502 0.817 10 0 FCAELP C[N@H+]1CCOC[C@H]1CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638610240 492966023 /nfs/dbraw/zinc/96/60/23/492966023.db2.gz JNZOQBPBWSUGAM-GOSISDBHSA-N 3 2 360.502 0.817 10 0 FCAELP CCOC(CNC(=O)Cn1c[nH+]cc1C)CNC(=O)Cn1c[nH+]cc1C ZINC000626414958 492974344 /nfs/dbraw/zinc/97/43/44/492974344.db2.gz KUBCRPGKWSQAHV-UHFFFAOYSA-N 2 2 362.434 0.034 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCN3CC(F)(F)C[C@H]3C2)C1 ZINC000645939291 492989550 /nfs/dbraw/zinc/98/95/50/492989550.db2.gz ZPLWLVMPCOFGMM-HOTGVXAUSA-N 2 2 374.476 0.485 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCN3CC(F)(F)C[C@H]3C2)C1 ZINC000645939291 492989552 /nfs/dbraw/zinc/98/95/52/492989552.db2.gz ZPLWLVMPCOFGMM-HOTGVXAUSA-N 2 2 374.476 0.485 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)C1 ZINC000645939291 492989553 /nfs/dbraw/zinc/98/95/53/492989553.db2.gz ZPLWLVMPCOFGMM-HOTGVXAUSA-N 2 2 374.476 0.485 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCN3CC(F)(F)C[C@H]3C2)C1 ZINC000645939291 492989554 /nfs/dbraw/zinc/98/95/54/492989554.db2.gz ZPLWLVMPCOFGMM-HOTGVXAUSA-N 2 2 374.476 0.485 10 0 FCAELP C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632441813 492999214 /nfs/dbraw/zinc/99/92/14/492999214.db2.gz LGHIWXKYFQHPRK-HNNXBMFYSA-N 2 2 361.533 0.772 10 0 FCAELP C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632441813 492999218 /nfs/dbraw/zinc/99/92/18/492999218.db2.gz LGHIWXKYFQHPRK-HNNXBMFYSA-N 2 2 361.533 0.772 10 0 FCAELP CCC(CC)[C@H](C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[NH+]1CCOCC1 ZINC000652735369 493011664 /nfs/dbraw/zinc/01/16/64/493011664.db2.gz IJCOLWBQENFVKT-GOSISDBHSA-N 2 2 368.522 0.356 10 0 FCAELP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)N1CCO[C@H]3CCCC[C@H]31)CCO2 ZINC000646104393 493013536 /nfs/dbraw/zinc/01/35/36/493013536.db2.gz LQTKPUUJBZZYJC-SJORKVTESA-N 2 2 351.491 0.953 10 0 FCAELP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)N1CCO[C@H]3CCCC[C@H]31)CCO2 ZINC000646104393 493013542 /nfs/dbraw/zinc/01/35/42/493013542.db2.gz LQTKPUUJBZZYJC-SJORKVTESA-N 2 2 351.491 0.953 10 0 FCAELP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1ccccc1C[NH+]1CCOCC1 ZINC000646119262 493016172 /nfs/dbraw/zinc/01/61/72/493016172.db2.gz IRDSZLHSARNZQU-SFHVURJKSA-N 2 2 358.486 0.639 10 0 FCAELP O=C(NC[C@H]1C[N@H+]2CCN1CCC2)c1ccccc1C[NH+]1CCOCC1 ZINC000646119262 493016175 /nfs/dbraw/zinc/01/61/75/493016175.db2.gz IRDSZLHSARNZQU-SFHVURJKSA-N 2 2 358.486 0.639 10 0 FCAELP CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626810181 493023738 /nfs/dbraw/zinc/02/37/38/493023738.db2.gz VHWLKURLPDHCBR-UHFFFAOYSA-N 2 2 357.414 0.852 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1CCN(c3cc(C)cc[nH+]3)CC1)CC2 ZINC000658714657 493024028 /nfs/dbraw/zinc/02/40/28/493024028.db2.gz BQOAEVNWYIHYAU-UHFFFAOYSA-N 2 2 368.441 0.586 10 0 FCAELP CC[C@H](C(=O)N1CC[NH+](CCOCCOC)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000652997527 493054142 /nfs/dbraw/zinc/05/41/42/493054142.db2.gz CCUNSHAUXKMLMZ-QZTJIDSGSA-N 2 2 371.522 0.683 10 0 FCAELP CC[C@H](C(=O)N1CC[NH+](CCOCCOC)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000652997527 493054145 /nfs/dbraw/zinc/05/41/45/493054145.db2.gz CCUNSHAUXKMLMZ-QZTJIDSGSA-N 2 2 371.522 0.683 10 0 FCAELP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000658783512 493054335 /nfs/dbraw/zinc/05/43/35/493054335.db2.gz MPJFFMNEACWUGD-SFHVURJKSA-N 2 2 358.486 0.392 10 0 FCAELP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000658783512 493054336 /nfs/dbraw/zinc/05/43/36/493054336.db2.gz MPJFFMNEACWUGD-SFHVURJKSA-N 2 2 358.486 0.392 10 0 FCAELP CC[C@@H](C(=O)N1CC[NH+](CCOCCOC)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000652997528 493054764 /nfs/dbraw/zinc/05/47/64/493054764.db2.gz CCUNSHAUXKMLMZ-ROUUACIJSA-N 2 2 371.522 0.683 10 0 FCAELP CC[C@@H](C(=O)N1CC[NH+](CCOCCOC)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000652997528 493054770 /nfs/dbraw/zinc/05/47/70/493054770.db2.gz CCUNSHAUXKMLMZ-ROUUACIJSA-N 2 2 371.522 0.683 10 0 FCAELP COCCOCC[NH+]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000652999194 493055288 /nfs/dbraw/zinc/05/52/88/493055288.db2.gz PKFOVEPBBUWSFT-UHFFFAOYSA-N 2 2 350.463 0.715 10 0 FCAELP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H]3CC[NH2+][C@H]3C)cc2)CC1 ZINC000626908496 493059761 /nfs/dbraw/zinc/05/97/61/493059761.db2.gz BRRHHVGKESEKOB-MAUKXSAKSA-N 2 2 373.501 0.629 10 0 FCAELP CCN(C(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000658804368 493061089 /nfs/dbraw/zinc/06/10/89/493061089.db2.gz SPMYEDWJPMZURN-JONQDZQNSA-N 2 2 354.495 0.153 10 0 FCAELP CCN(C(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000658804368 493061092 /nfs/dbraw/zinc/06/10/92/493061092.db2.gz SPMYEDWJPMZURN-JONQDZQNSA-N 2 2 354.495 0.153 10 0 FCAELP CCN(C(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000658804368 493061095 /nfs/dbraw/zinc/06/10/95/493061095.db2.gz SPMYEDWJPMZURN-JONQDZQNSA-N 2 2 354.495 0.153 10 0 FCAELP CCN(C(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000658804368 493061096 /nfs/dbraw/zinc/06/10/96/493061096.db2.gz SPMYEDWJPMZURN-JONQDZQNSA-N 2 2 354.495 0.153 10 0 FCAELP CCN(C(=O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000658803337 493061136 /nfs/dbraw/zinc/06/11/36/493061136.db2.gz SADFVFUUJYVOMJ-SJLPKXTDSA-N 2 2 373.501 0.839 10 0 FCAELP CCN(C(=O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000658803337 493061138 /nfs/dbraw/zinc/06/11/38/493061138.db2.gz SADFVFUUJYVOMJ-SJLPKXTDSA-N 2 2 373.501 0.839 10 0 FCAELP CCN(C(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000658803336 493061434 /nfs/dbraw/zinc/06/14/34/493061434.db2.gz SADFVFUUJYVOMJ-FUHWJXTLSA-N 2 2 373.501 0.839 10 0 FCAELP CCN(C(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000658803336 493061437 /nfs/dbraw/zinc/06/14/37/493061437.db2.gz SADFVFUUJYVOMJ-FUHWJXTLSA-N 2 2 373.501 0.839 10 0 FCAELP [NH3+]CCCOCCNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000626919711 493062365 /nfs/dbraw/zinc/06/23/65/493062365.db2.gz MPPVZAPRZQEFTD-CQSZACIVSA-N 2 2 356.492 0.786 10 0 FCAELP CN1CC[NH+]([C@@H](CNC(=O)NCCOCCC[NH3+])c2cccs2)CC1 ZINC000626921807 493063692 /nfs/dbraw/zinc/06/36/92/493063692.db2.gz IYRLZPKMYGZOHS-HNNXBMFYSA-N 2 2 369.535 0.701 10 0 FCAELP C[NH2+]CCOCCN(C)C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000626925849 493064822 /nfs/dbraw/zinc/06/48/22/493064822.db2.gz SRVKKPWORIJLBI-GOSISDBHSA-N 2 2 364.490 0.937 10 0 FCAELP C[NH2+]CCOCCNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000626925245 493065016 /nfs/dbraw/zinc/06/50/16/493065016.db2.gz ILOASSGTMYSBGP-QGZVFWFLSA-N 2 2 350.463 0.595 10 0 FCAELP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NC[C@]1([NH+]3CCOCC3)CCSC1)C2 ZINC000626945958 493069343 /nfs/dbraw/zinc/06/93/43/493069343.db2.gz JURGWNRBUOKWDG-FGTMMUONSA-N 2 2 368.547 0.835 10 0 FCAELP Cc1ccc([C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)[NH+]2CCOCC2)cc1 ZINC000653111853 493071615 /nfs/dbraw/zinc/07/16/15/493071615.db2.gz DUNBFPQATVMINU-NSHGMRRFSA-N 2 2 359.470 0.721 10 0 FCAELP C[C@H](NC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)[C@H]1CCC[NH2+]C1 ZINC000627068688 493085596 /nfs/dbraw/zinc/08/55/96/493085596.db2.gz MBPSNCGJQBCPNH-RYQLBKOJSA-N 2 2 361.490 0.970 10 0 FCAELP C[C@H](NC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)[C@H]1CCC[NH2+]C1 ZINC000627068688 493085599 /nfs/dbraw/zinc/08/55/99/493085599.db2.gz MBPSNCGJQBCPNH-RYQLBKOJSA-N 2 2 361.490 0.970 10 0 FCAELP O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000627107034 493088032 /nfs/dbraw/zinc/08/80/32/493088032.db2.gz VOUNJXREELADKM-FCGDIQPGSA-N 2 2 373.501 0.970 10 0 FCAELP O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000627107034 493088038 /nfs/dbraw/zinc/08/80/38/493088038.db2.gz VOUNJXREELADKM-FCGDIQPGSA-N 2 2 373.501 0.970 10 0 FCAELP Cc1cc(NCCNC(=O)NC[C@@H]2C[NH2+]CCCO2)nc(C(C)C)[nH+]1 ZINC000627102237 493088276 /nfs/dbraw/zinc/08/82/76/493088276.db2.gz JRDOLCSYOOYNDW-AWEZNQCLSA-N 2 2 350.467 0.998 10 0 FCAELP C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000627114601 493090185 /nfs/dbraw/zinc/09/01/85/493090185.db2.gz HNGYULOUWACBQV-BRWVUGGUSA-N 2 2 350.438 0.901 10 0 FCAELP C[N@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000627114601 493090190 /nfs/dbraw/zinc/09/01/90/493090190.db2.gz HNGYULOUWACBQV-BRWVUGGUSA-N 2 2 350.438 0.901 10 0 FCAELP CN(C(=O)NCC1([NH3+])CCOCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000627150482 493096378 /nfs/dbraw/zinc/09/63/78/493096378.db2.gz LSDSDOQDIVYINP-INIZCTEOSA-N 3 2 353.511 0.304 10 0 FCAELP CN(C(=O)NCC1([NH3+])CCOCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000627150482 493096380 /nfs/dbraw/zinc/09/63/80/493096380.db2.gz LSDSDOQDIVYINP-INIZCTEOSA-N 3 2 353.511 0.304 10 0 FCAELP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627201149 493106743 /nfs/dbraw/zinc/10/67/43/493106743.db2.gz XTCLGYNNDUAJGI-OWCLPIDISA-N 2 2 351.495 0.465 10 0 FCAELP O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000627224357 493109858 /nfs/dbraw/zinc/10/98/58/493109858.db2.gz KONKBJSGXOQBBL-FGTMMUONSA-N 2 2 359.474 0.818 10 0 FCAELP O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000627224357 493109860 /nfs/dbraw/zinc/10/98/60/493109860.db2.gz KONKBJSGXOQBBL-FGTMMUONSA-N 2 2 359.474 0.818 10 0 FCAELP CC(C)[C@H]1C[NH2+]CCN1C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000627225630 493110290 /nfs/dbraw/zinc/11/02/90/493110290.db2.gz YZDSATDPCFUHLA-ZWKOTPCHSA-N 2 2 361.490 0.922 10 0 FCAELP CC(C)[C@H]1C[NH2+]CCN1C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000627225630 493110293 /nfs/dbraw/zinc/11/02/93/493110293.db2.gz YZDSATDPCFUHLA-ZWKOTPCHSA-N 2 2 361.490 0.922 10 0 FCAELP O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000627225284 493110348 /nfs/dbraw/zinc/11/03/48/493110348.db2.gz VQSZAEKULGEWTJ-RCCFBDPRSA-N 2 2 359.474 0.676 10 0 FCAELP O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000627225284 493110353 /nfs/dbraw/zinc/11/03/53/493110353.db2.gz VQSZAEKULGEWTJ-RCCFBDPRSA-N 2 2 359.474 0.676 10 0 FCAELP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000633088357 493120947 /nfs/dbraw/zinc/12/09/47/493120947.db2.gz QVABRYPSRBURAP-IAGOWNOFSA-N 2 2 366.506 0.430 10 0 FCAELP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633106162 493129167 /nfs/dbraw/zinc/12/91/67/493129167.db2.gz QYYNFIGBBACHOB-CQSZACIVSA-N 2 2 357.414 0.550 10 0 FCAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000627292743 493136916 /nfs/dbraw/zinc/13/69/16/493136916.db2.gz CAEXKXZEGHLZHX-GLQYFDAESA-N 2 2 352.866 0.926 10 0 FCAELP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)NCC[NH+]1Cc3ccccc3C1)C2 ZINC000627312158 493146761 /nfs/dbraw/zinc/14/67/61/493146761.db2.gz QQOSAFKWQRQBQX-BGYRXZFFSA-N 2 2 356.470 0.576 10 0 FCAELP O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000627313120 493147282 /nfs/dbraw/zinc/14/72/82/493147282.db2.gz VXFDWYQOFSHUBY-OWCLPIDISA-N 2 2 364.490 0.147 10 0 FCAELP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659099204 493151562 /nfs/dbraw/zinc/15/15/62/493151562.db2.gz VBLIGLVJZKQNLK-MRXNPFEDSA-N 2 2 360.458 0.668 10 0 FCAELP C[C@@H](c1cccc(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)c1)[NH+]1CCOCC1 ZINC000659099638 493152655 /nfs/dbraw/zinc/15/26/55/493152655.db2.gz KASSPWOAEXRSIT-BQTBQCLESA-N 2 2 372.469 0.968 10 0 FCAELP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2[nH+]ccn2CCc2ccccc2)C[NH2+]1 ZINC000627327650 493155439 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ZINC000662254727 493500625 /nfs/dbraw/zinc/50/06/25/493500625.db2.gz KGPUIMLZDUUMPX-GFCCVEGCSA-N 2 2 359.414 0.263 10 0 FCAELP Cc1nc(S(=O)(=O)N2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)cs1 ZINC000662255153 493500918 /nfs/dbraw/zinc/50/09/18/493500918.db2.gz ALEQSSUKDFGCRZ-ZDUSSCGKSA-N 2 2 372.516 0.279 10 0 FCAELP CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662254728 493501056 /nfs/dbraw/zinc/50/10/56/493501056.db2.gz KGPUIMLZDUUMPX-LBPRGKRZSA-N 2 2 359.414 0.263 10 0 FCAELP NS(=O)(=O)c1cc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)co1 ZINC000662264238 493501342 /nfs/dbraw/zinc/50/13/42/493501342.db2.gz GYCWPEVWLZMRFH-GXTWGEPZSA-N 2 2 370.475 0.007 10 0 FCAELP NS(=O)(=O)c1cc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)co1 ZINC000662264238 493501344 /nfs/dbraw/zinc/50/13/44/493501344.db2.gz GYCWPEVWLZMRFH-GXTWGEPZSA-N 2 2 370.475 0.007 10 0 FCAELP [NH3+][C@@H]1CN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC[C@H]1F ZINC000662324668 493507120 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LSYVLKDELULPRC-HUUCEWRRSA-N 2 2 351.422 0.960 10 0 FCAELP [NH3+][C@@H](C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)c1ccccc1Br ZINC000662906017 493551293 /nfs/dbraw/zinc/55/12/93/493551293.db2.gz HTUCWQYYDKAWAZ-SWLSCSKDSA-N 2 2 367.291 0.955 10 0 FCAELP [NH3+][C@@H](C(=O)NC[C@H]1C[N@H+]2CCN1CCC2)c1ccccc1Br ZINC000662906017 493551296 /nfs/dbraw/zinc/55/12/96/493551296.db2.gz HTUCWQYYDKAWAZ-SWLSCSKDSA-N 2 2 367.291 0.955 10 0 FCAELP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)CC2)c1 ZINC000662924177 493554544 /nfs/dbraw/zinc/55/45/44/493554544.db2.gz ZGNGLHMCUPBVDK-IAGOWNOFSA-N 2 2 362.449 0.537 10 0 FCAELP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662935807 493556266 /nfs/dbraw/zinc/55/62/66/493556266.db2.gz COMNSIKALRZWOG-FVQBIDKESA-N 2 2 363.437 0.185 10 0 FCAELP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662937508 493556623 /nfs/dbraw/zinc/55/66/23/493556623.db2.gz QGCAGRJXXXGJLJ-XVTSOASTSA-N 2 2 357.458 0.237 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1CCC([C@H]3CCC[NH2+]C3)CC1)CC2 ZINC000662940437 493557391 /nfs/dbraw/zinc/55/73/91/493557391.db2.gz HMUIUWAOWODNGV-INIZCTEOSA-N 2 2 359.474 0.772 10 0 FCAELP C[NH2+]CCCC(=O)N1CCC(NC(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000662941736 493557526 /nfs/dbraw/zinc/55/75/26/493557526.db2.gz BFWXZECBTBPMQS-UHFFFAOYSA-N 2 2 357.458 0.984 10 0 FCAELP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)[C@H](Cc2ccccc2)C1 ZINC000662962655 493561664 /nfs/dbraw/zinc/56/16/64/493561664.db2.gz IBUIHMXNBWNVEC-BRWVUGGUSA-N 2 2 362.449 0.269 10 0 FCAELP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)[C@H](Cc2ccccc2)C1 ZINC000662962655 493561665 /nfs/dbraw/zinc/56/16/65/493561665.db2.gz IBUIHMXNBWNVEC-BRWVUGGUSA-N 2 2 362.449 0.269 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C)CC2 ZINC000670503543 493575594 /nfs/dbraw/zinc/57/55/94/493575594.db2.gz NBTDDJLGXDFNTK-MRXNPFEDSA-N 2 2 355.442 0.953 10 0 FCAELP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000670533291 493577880 /nfs/dbraw/zinc/57/78/80/493577880.db2.gz BRBNBHZPIOKNFW-QZTJIDSGSA-N 2 2 374.485 0.214 10 0 FCAELP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000670533291 493577881 /nfs/dbraw/zinc/57/78/81/493577881.db2.gz BRBNBHZPIOKNFW-QZTJIDSGSA-N 2 2 374.485 0.214 10 0 FCAELP C[NH+]1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000670533291 493577883 /nfs/dbraw/zinc/57/78/83/493577883.db2.gz BRBNBHZPIOKNFW-QZTJIDSGSA-N 2 2 374.485 0.214 10 0 FCAELP C[NH+]1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000670533291 493577885 /nfs/dbraw/zinc/57/78/85/493577885.db2.gz BRBNBHZPIOKNFW-QZTJIDSGSA-N 2 2 374.485 0.214 10 0 FCAELP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000670679352 493587991 /nfs/dbraw/zinc/58/79/91/493587991.db2.gz OZHCASDAHQTISO-GOSISDBHSA-N 2 2 374.485 0.345 10 0 FCAELP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000670679352 493587993 /nfs/dbraw/zinc/58/79/93/493587993.db2.gz OZHCASDAHQTISO-GOSISDBHSA-N 2 2 374.485 0.345 10 0 FCAELP O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)N2CCOC3(C[NH2+]C3)C2)c1 ZINC000663489776 493592537 /nfs/dbraw/zinc/59/25/37/493592537.db2.gz XMYYBXMVADOWIO-UHFFFAOYSA-N 2 2 369.425 0.726 10 0 FCAELP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000670731445 493592646 /nfs/dbraw/zinc/59/26/46/493592646.db2.gz KGZBIIWQTJEDSS-HOTGVXAUSA-N 2 2 355.442 0.836 10 0 FCAELP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000670731445 493592648 /nfs/dbraw/zinc/59/26/48/493592648.db2.gz KGZBIIWQTJEDSS-HOTGVXAUSA-N 2 2 355.442 0.836 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000663639826 493609075 /nfs/dbraw/zinc/60/90/75/493609075.db2.gz YECQLTMMHZYFNP-GVDBMIGSSA-N 2 2 366.506 0.650 10 0 FCAELP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000670894560 493609896 /nfs/dbraw/zinc/60/98/96/493609896.db2.gz CQEWQOXQYSSFPV-MRXNPFEDSA-N 2 2 359.474 0.899 10 0 FCAELP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000670894560 493609897 /nfs/dbraw/zinc/60/98/97/493609897.db2.gz CQEWQOXQYSSFPV-MRXNPFEDSA-N 2 2 359.474 0.899 10 0 FCAELP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000670905175 493610559 /nfs/dbraw/zinc/61/05/59/493610559.db2.gz PGTQPNCFRGBPOE-GOSISDBHSA-N 2 2 374.485 0.345 10 0 FCAELP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000670905175 493610562 /nfs/dbraw/zinc/61/05/62/493610562.db2.gz PGTQPNCFRGBPOE-GOSISDBHSA-N 2 2 374.485 0.345 10 0 FCAELP C[N@@H+]1CCC[C@@H](N2CC[NH+](CC(=O)N3CCOC[C@H]3C3CC3)CC2)C1 ZINC000677985521 493629488 /nfs/dbraw/zinc/62/94/88/493629488.db2.gz CQTMOQVHHSDTGM-MSOLQXFVSA-N 2 2 350.507 0.336 10 0 FCAELP C[N@H+]1CCC[C@@H](N2CC[NH+](CC(=O)N3CCOC[C@H]3C3CC3)CC2)C1 ZINC000677985521 493629492 /nfs/dbraw/zinc/62/94/92/493629492.db2.gz CQTMOQVHHSDTGM-MSOLQXFVSA-N 2 2 350.507 0.336 10 0 FCAELP C[C@@H]1C[N@H+](CC(=O)N2CCOC[C@H]2C2CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000677988169 493629553 /nfs/dbraw/zinc/62/95/53/493629553.db2.gz MLJPTFJUFKTLEI-NEWSRXKRSA-N 2 2 364.534 0.582 10 0 FCAELP C[C@@H]1C[N@@H+](CC(=O)N2CCOC[C@H]2C2CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000677988169 493629555 /nfs/dbraw/zinc/62/95/55/493629555.db2.gz MLJPTFJUFKTLEI-NEWSRXKRSA-N 2 2 364.534 0.582 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@@H](Cn4ccnn4)C3)C2)CC1 ZINC000664131085 493638288 /nfs/dbraw/zinc/63/82/88/493638288.db2.gz WCCRIDCLSHYWQP-CVEARBPZSA-N 2 2 361.494 0.478 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@@H](Cn4ccnn4)C3)C2)CC1 ZINC000664131085 493638290 /nfs/dbraw/zinc/63/82/90/493638290.db2.gz WCCRIDCLSHYWQP-CVEARBPZSA-N 2 2 361.494 0.478 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@@H](Cn4ccnn4)C3)C2)CC1 ZINC000664131087 493638388 /nfs/dbraw/zinc/63/83/88/493638388.db2.gz WCCRIDCLSHYWQP-HZPDHXFCSA-N 2 2 361.494 0.478 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@@H](Cn4ccnn4)C3)C2)CC1 ZINC000664131087 493638390 /nfs/dbraw/zinc/63/83/90/493638390.db2.gz WCCRIDCLSHYWQP-HZPDHXFCSA-N 2 2 361.494 0.478 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1)[NH+]1CCc2sccc2C1 ZINC000671150747 493643692 /nfs/dbraw/zinc/64/36/92/493643692.db2.gz IPEGGLZCDVIKPO-DZGCQCFKSA-N 2 2 364.515 0.821 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCc2sccc2C1 ZINC000671150747 493643694 /nfs/dbraw/zinc/64/36/94/493643694.db2.gz IPEGGLZCDVIKPO-DZGCQCFKSA-N 2 2 364.515 0.821 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH+](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000671150747 493643695 /nfs/dbraw/zinc/64/36/95/493643695.db2.gz IPEGGLZCDVIKPO-DZGCQCFKSA-N 2 2 364.515 0.821 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH+](C)C1)[N@H+]1CCc2sccc2C1 ZINC000671150747 493643697 /nfs/dbraw/zinc/64/36/97/493643697.db2.gz IPEGGLZCDVIKPO-DZGCQCFKSA-N 2 2 364.515 0.821 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)CC2 ZINC000671344084 493657636 /nfs/dbraw/zinc/65/76/36/493657636.db2.gz QEXBFNKTNXLFNV-QGZVFWFLSA-N 2 2 369.469 0.823 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000664449654 493660472 /nfs/dbraw/zinc/66/04/72/493660472.db2.gz ZSGRVPKLAAAUDH-QZTJIDSGSA-N 3 2 369.554 0.813 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000664449654 493660473 /nfs/dbraw/zinc/66/04/73/493660473.db2.gz ZSGRVPKLAAAUDH-QZTJIDSGSA-N 3 2 369.554 0.813 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000664473011 493661858 /nfs/dbraw/zinc/66/18/58/493661858.db2.gz JMQDQCSVIPGXIP-ZWKOTPCHSA-N 3 2 369.554 0.547 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000664473011 493661859 /nfs/dbraw/zinc/66/18/59/493661859.db2.gz JMQDQCSVIPGXIP-ZWKOTPCHSA-N 3 2 369.554 0.547 10 0 FCAELP CCO[C@@H]1C[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)[C@@]12CCCO2 ZINC000664661455 493675878 /nfs/dbraw/zinc/67/58/78/493675878.db2.gz WSZJLIZPXIWCQT-NUJGCVRESA-N 2 2 356.511 0.896 10 0 FCAELP CCO[C@@H]1C[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)[C@@]12CCCO2 ZINC000664661455 493675879 /nfs/dbraw/zinc/67/58/79/493675879.db2.gz WSZJLIZPXIWCQT-NUJGCVRESA-N 2 2 356.511 0.896 10 0 FCAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000671706316 493703549 /nfs/dbraw/zinc/70/35/49/493703549.db2.gz FNLIMHGYWCBJQY-SFHVURJKSA-N 2 2 369.531 0.741 10 0 FCAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000671706316 493703552 /nfs/dbraw/zinc/70/35/52/493703552.db2.gz FNLIMHGYWCBJQY-SFHVURJKSA-N 2 2 369.531 0.741 10 0 FCAELP O=C(Cn1c[nH+]c2c1CCCC2)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000680488458 493719198 /nfs/dbraw/zinc/71/91/98/493719198.db2.gz HOYZYMRANLMKJH-INIZCTEOSA-N 2 2 361.490 0.285 10 0 FCAELP O=C(Cn1c[nH+]c2c1CCCC2)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000680488458 493719199 /nfs/dbraw/zinc/71/91/99/493719199.db2.gz HOYZYMRANLMKJH-INIZCTEOSA-N 2 2 361.490 0.285 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000665762301 493734574 /nfs/dbraw/zinc/73/45/74/493734574.db2.gz AAAMLFVCKFIMCU-BBWFWOEESA-N 3 2 355.527 0.373 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000665762301 493734576 /nfs/dbraw/zinc/73/45/76/493734576.db2.gz AAAMLFVCKFIMCU-BBWFWOEESA-N 3 2 355.527 0.373 10 0 FCAELP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N(C)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000665762301 493734579 /nfs/dbraw/zinc/73/45/79/493734579.db2.gz AAAMLFVCKFIMCU-BBWFWOEESA-N 3 2 355.527 0.373 10 0 FCAELP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N(C)[C@@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000665762301 493734581 /nfs/dbraw/zinc/73/45/81/493734581.db2.gz AAAMLFVCKFIMCU-BBWFWOEESA-N 2 2 355.527 0.373 10 0 FCAELP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000672165464 493739378 /nfs/dbraw/zinc/73/93/78/493739378.db2.gz HAKANMFMFDDXLM-HOTGVXAUSA-N 2 2 363.462 0.274 10 0 FCAELP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000672165464 493739379 /nfs/dbraw/zinc/73/93/79/493739379.db2.gz HAKANMFMFDDXLM-HOTGVXAUSA-N 2 2 363.462 0.274 10 0 FCAELP O=C(NCc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672241088 493746264 /nfs/dbraw/zinc/74/62/64/493746264.db2.gz YOHGZNAFDSQIQX-LBPRGKRZSA-N 2 2 373.379 0.662 10 0 FCAELP O=C(NCc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672241088 493746266 /nfs/dbraw/zinc/74/62/66/493746266.db2.gz YOHGZNAFDSQIQX-LBPRGKRZSA-N 2 2 373.379 0.662 10 0 FCAELP CCN(C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]1CC[N@H+](C)C1 ZINC000666124303 493758825 /nfs/dbraw/zinc/75/88/25/493758825.db2.gz FVTHAWYRZSAJLX-HNNXBMFYSA-N 2 2 350.467 0.773 10 0 FCAELP CCN(C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]1CC[N@@H+](C)C1 ZINC000666124303 493758826 /nfs/dbraw/zinc/75/88/26/493758826.db2.gz FVTHAWYRZSAJLX-HNNXBMFYSA-N 2 2 350.467 0.773 10 0 FCAELP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935975181 674336222 /nfs/dbraw/zinc/33/62/22/674336222.db2.gz FZTNOYUJNQIGDG-MLHJIOFPSA-N 2 2 351.491 0.951 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C[C@H](C)[N@H+]1CCO ZINC000410589588 534283046 /nfs/dbraw/zinc/28/30/46/534283046.db2.gz JCERDGBIVCTJDN-OKILXGFUSA-N 2 2 363.462 0.029 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C[C@H](C)[N@@H+]1CCO ZINC000410589588 534283049 /nfs/dbraw/zinc/28/30/49/534283049.db2.gz JCERDGBIVCTJDN-OKILXGFUSA-N 2 2 363.462 0.029 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000410501368 534423539 /nfs/dbraw/zinc/42/35/39/534423539.db2.gz ZMZOWEFMIBMOJM-KRWDZBQOSA-N 2 2 371.485 0.734 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000410501368 534423545 /nfs/dbraw/zinc/42/35/45/534423545.db2.gz ZMZOWEFMIBMOJM-KRWDZBQOSA-N 2 2 371.485 0.734 10 0 FCAELP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000419455600 534910051 /nfs/dbraw/zinc/91/00/51/534910051.db2.gz PPIUUNOUDYHZHM-INIZCTEOSA-N 2 2 370.457 0.723 10 0 FCAELP CC(C)[C@H](CNC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C)[NH+]1CCOCC1 ZINC000419411130 535000033 /nfs/dbraw/zinc/00/00/33/535000033.db2.gz PMQDUGNDAWQKJX-ULQDDVLXSA-N 2 2 356.511 0.440 10 0 FCAELP CC(C)[C@H](CNC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C)[NH+]1CCOCC1 ZINC000419411130 535000039 /nfs/dbraw/zinc/00/00/39/535000039.db2.gz PMQDUGNDAWQKJX-ULQDDVLXSA-N 2 2 356.511 0.440 10 0 FCAELP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422912620 535889009 /nfs/dbraw/zinc/88/90/09/535889009.db2.gz NPGFNLYXYGAVSU-OALUTQOASA-N 3 2 360.502 0.835 10 0 FCAELP CCO[C@@H]1C[C@@H]([NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@@H]1SC ZINC000592166793 546611954 /nfs/dbraw/zinc/61/19/54/546611954.db2.gz IIDQGYVPSAJNDS-FMKPAKJESA-N 2 2 359.536 0.712 10 0 FCAELP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H]4C[C@H]3C[S@@]4=O)CC2)CC1 ZINC000594373683 546785325 /nfs/dbraw/zinc/78/53/25/546785325.db2.gz XHVOOWAWJFSQMB-UAVUOLJFSA-N 2 2 353.532 0.915 10 0 FCAELP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)s1 ZINC000423247856 546914065 /nfs/dbraw/zinc/91/40/65/546914065.db2.gz LUQWRFHUVXLNMU-CYBMUJFWSA-N 2 2 350.488 0.514 10 0 FCAELP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000550713693 547098960 /nfs/dbraw/zinc/09/89/60/547098960.db2.gz JQXWXZNDGKHMMH-GOSISDBHSA-N 2 2 352.523 0.726 10 0 FCAELP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000550713693 547098964 /nfs/dbraw/zinc/09/89/64/547098964.db2.gz JQXWXZNDGKHMMH-GOSISDBHSA-N 2 2 352.523 0.726 10 0 FCAELP CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CCC1 ZINC000925815034 664833557 /nfs/dbraw/zinc/83/35/57/664833557.db2.gz SKPWHNDRQYPRDP-HUUCEWRRSA-N 2 2 359.536 0.984 10 0 FCAELP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895847815 665061455 /nfs/dbraw/zinc/06/14/55/665061455.db2.gz HWLIOUJPDKSQBP-WBVHZDCISA-N 2 2 355.504 0.031 10 0 FCAELP CC(C)(O)C[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000925153548 665170297 /nfs/dbraw/zinc/17/02/97/665170297.db2.gz DWQMZLLKGHGPRQ-GJZGRUSLSA-N 2 2 356.536 0.664 10 0 FCAELP CC(C)(O)C[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000925153548 665170298 /nfs/dbraw/zinc/17/02/98/665170298.db2.gz DWQMZLLKGHGPRQ-GJZGRUSLSA-N 2 2 356.536 0.664 10 0 FCAELP CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000925168341 665176982 /nfs/dbraw/zinc/17/69/82/665176982.db2.gz GQNNZWZPGAVXIO-OAGGEKHMSA-N 2 2 356.536 0.976 10 0 FCAELP CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000925168341 665176983 /nfs/dbraw/zinc/17/69/83/665176983.db2.gz GQNNZWZPGAVXIO-OAGGEKHMSA-N 2 2 356.536 0.976 10 0 FCAELP CC[C@@H]1COCC[NH+]1CCNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925168341 665176984 /nfs/dbraw/zinc/17/69/84/665176984.db2.gz GQNNZWZPGAVXIO-OAGGEKHMSA-N 2 2 356.536 0.976 10 0 FCAELP CC[C@@H]1COCC[NH+]1CCNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000925168341 665176985 /nfs/dbraw/zinc/17/69/85/665176985.db2.gz GQNNZWZPGAVXIO-OAGGEKHMSA-N 2 2 356.536 0.976 10 0 FCAELP CC(C)N1CC[NH+](CCCC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)CC1 ZINC000910932146 666293674 /nfs/dbraw/zinc/29/36/74/666293674.db2.gz WBKSJABODJPLJO-QZTJIDSGSA-N 2 2 354.539 0.706 10 0 FCAELP CC(C)N1CC[NH+](CCCC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)CC1 ZINC000910932146 666293675 /nfs/dbraw/zinc/29/36/75/666293675.db2.gz WBKSJABODJPLJO-QZTJIDSGSA-N 2 2 354.539 0.706 10 0 FCAELP CC(C)N1CC[NH+](CCCC(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)CC1 ZINC000910932148 666293766 /nfs/dbraw/zinc/29/37/66/666293766.db2.gz WBKSJABODJPLJO-ZWKOTPCHSA-N 2 2 354.539 0.706 10 0 FCAELP CC(C)N1CC[NH+](CCCC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)CC1 ZINC000910932148 666293771 /nfs/dbraw/zinc/29/37/71/666293771.db2.gz WBKSJABODJPLJO-ZWKOTPCHSA-N 2 2 354.539 0.706 10 0 FCAELP O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000913191809 666514765 /nfs/dbraw/zinc/51/47/65/666514765.db2.gz SZRRSJQEESIMKQ-SJLPKXTDSA-N 2 2 365.499 0.244 10 0 FCAELP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CC[NH+](CCCCCO)CC1 ZINC000913693919 666643201 /nfs/dbraw/zinc/64/32/01/666643201.db2.gz VLRCWOMAAYNMTK-GOSISDBHSA-N 2 2 353.507 0.937 10 0 FCAELP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CC[NH+](CCCCCO)CC1 ZINC000913693919 666643202 /nfs/dbraw/zinc/64/32/02/666643202.db2.gz VLRCWOMAAYNMTK-GOSISDBHSA-N 2 2 353.507 0.937 10 0 FCAELP CCO[C@@H](CNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)C[NH+](C)C ZINC000914327956 666741185 /nfs/dbraw/zinc/74/11/85/666741185.db2.gz CFVJUCDEAOEUDB-DOTOQJQBSA-N 2 2 374.551 0.460 10 0 FCAELP CCO[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C[NH+](C)C ZINC000918906411 667140558 /nfs/dbraw/zinc/14/05/58/667140558.db2.gz OBZKDYWOCYSDPW-NVXWUHKLSA-N 3 2 355.527 0.421 10 0 FCAELP CCO[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C[NH+](C)C ZINC000918906411 667140560 /nfs/dbraw/zinc/14/05/60/667140560.db2.gz OBZKDYWOCYSDPW-NVXWUHKLSA-N 3 2 355.527 0.421 10 0 FCAELP CCO[C@@H](CNS(=O)(=O)c1cccc2c1CC[N@H+](C)C2)C[NH+](C)C ZINC000921633713 667158839 /nfs/dbraw/zinc/15/88/39/667158839.db2.gz HEZPVBXDKQJFJV-HNNXBMFYSA-N 2 2 355.504 0.920 10 0 FCAELP CCO[C@@H](CNS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2)C[NH+](C)C ZINC000921633713 667158841 /nfs/dbraw/zinc/15/88/41/667158841.db2.gz HEZPVBXDKQJFJV-HNNXBMFYSA-N 2 2 355.504 0.920 10 0 FCAELP O=S1(=O)C[C@@H](O)[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000700503049 667733431 /nfs/dbraw/zinc/73/34/31/667733431.db2.gz QPAUTNXJVKSRNK-CWQOZTLDSA-N 2 2 350.484 0.645 10 0 FCAELP O=S1(=O)C[C@@H](O)[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000700503049 667733434 /nfs/dbraw/zinc/73/34/34/667733434.db2.gz QPAUTNXJVKSRNK-CWQOZTLDSA-N 2 2 350.484 0.645 10 0 FCAELP CCOC(=O)N1CCC(NC(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000843383428 670811109 /nfs/dbraw/zinc/81/11/09/670811109.db2.gz VUCBRNBKTJOEPB-SFHVURJKSA-N 2 2 352.479 0.799 10 0 FCAELP CCOC(=O)N1CCC(NC(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000843383428 670811118 /nfs/dbraw/zinc/81/11/18/670811118.db2.gz VUCBRNBKTJOEPB-SFHVURJKSA-N 2 2 352.479 0.799 10 0 FCAELP C[C@]12COC[C@H]1C[N@H+](CCS(=O)(=O)CC[NH+]1C[C@H]3COC[C@]3(C)C1)C2 ZINC000852535049 671512529 /nfs/dbraw/zinc/51/25/29/671512529.db2.gz UKQUPKVIGMDBPB-MHORFTMASA-N 2 2 372.531 0.338 10 0 FCAELP C[C@]12COC[C@H]1C[N@@H+](CCS(=O)(=O)CC[NH+]1C[C@H]3COC[C@]3(C)C1)C2 ZINC000852535049 671512531 /nfs/dbraw/zinc/51/25/31/671512531.db2.gz UKQUPKVIGMDBPB-MHORFTMASA-N 2 2 372.531 0.338 10 0 FCAELP C[C@]12COC[C@H]1C[NH+](CCS(=O)(=O)CC[N@@H+]1C[C@H]3COC[C@]3(C)C1)C2 ZINC000852535049 671512533 /nfs/dbraw/zinc/51/25/33/671512533.db2.gz UKQUPKVIGMDBPB-MHORFTMASA-N 2 2 372.531 0.338 10 0 FCAELP C[C@]12COC[C@H]1C[NH+](CCS(=O)(=O)CC[N@H+]1C[C@H]3COC[C@]3(C)C1)C2 ZINC000852535049 671512534 /nfs/dbraw/zinc/51/25/34/671512534.db2.gz UKQUPKVIGMDBPB-MHORFTMASA-N 2 2 372.531 0.338 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(F)c(S(N)(=O)=O)c1 ZINC000855416666 671641976 /nfs/dbraw/zinc/64/19/76/671641976.db2.gz PXKDBRCLIPSSOJ-UHFFFAOYSA-N 2 2 360.455 0.086 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(F)c(S(N)(=O)=O)c1 ZINC000855416666 671641978 /nfs/dbraw/zinc/64/19/78/671641978.db2.gz PXKDBRCLIPSSOJ-UHFFFAOYSA-N 2 2 360.455 0.086 10 0 FCAELP CC(C)O[C@@]1(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CCOC1 ZINC000903361189 675927405 /nfs/dbraw/zinc/92/74/05/675927405.db2.gz PSQSTCXYKIOACE-LJQANCHMSA-N 2 2 355.523 0.957 10 0 FCAELP CC(C)O[C@@]1(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CCOC1 ZINC000903361189 675927407 /nfs/dbraw/zinc/92/74/07/675927407.db2.gz PSQSTCXYKIOACE-LJQANCHMSA-N 2 2 355.523 0.957 10 0 FCAELP CCn1cnc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1 ZINC000903562924 675945533 /nfs/dbraw/zinc/94/55/33/675945533.db2.gz YLQGJFOHYGQCEE-GASCZTMLSA-N 2 2 353.492 0.492 10 0 FCAELP CCn1cnc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1 ZINC000903562924 675945534 /nfs/dbraw/zinc/94/55/34/675945534.db2.gz YLQGJFOHYGQCEE-GASCZTMLSA-N 2 2 353.492 0.492 10 0 FCAELP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C[C@H]1C(F)(F)F ZINC000903726347 675964027 /nfs/dbraw/zinc/96/40/27/675964027.db2.gz IRUOVDTZPSAKFD-GMTAPVOTSA-N 2 2 359.352 0.464 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnc(C2(C)OCCO2)s1 ZINC000862171843 672033862 /nfs/dbraw/zinc/03/38/62/672033862.db2.gz MCKSHOIVEJETBP-UHFFFAOYSA-N 2 2 356.492 0.976 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnc(C2(C)OCCO2)s1 ZINC000862171843 672033865 /nfs/dbraw/zinc/03/38/65/672033865.db2.gz MCKSHOIVEJETBP-UHFFFAOYSA-N 2 2 356.492 0.976 10 0 FCAELP C[NH+](C)CC(C)(C)CNC(=S)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000863209772 672104154 /nfs/dbraw/zinc/10/41/54/672104154.db2.gz FHHIRLBTXPOXAA-GOSISDBHSA-N 2 2 372.579 0.654 10 0 FCAELP C[NH+](C)CC(C)(C)CNC(=S)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000863209772 672104159 /nfs/dbraw/zinc/10/41/59/672104159.db2.gz FHHIRLBTXPOXAA-GOSISDBHSA-N 2 2 372.579 0.654 10 0 FCAELP COC(=O)C(C)(C)N1CC[NH+](C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903911036 675981750 /nfs/dbraw/zinc/98/17/50/675981750.db2.gz VHIPYXRKCVKLNC-HNNXBMFYSA-N 2 2 351.495 0.415 10 0 FCAELP C[C@@H](C(=O)NCC(F)(F)F)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863550155 672136349 /nfs/dbraw/zinc/13/63/49/672136349.db2.gz ZOCQYJPLMFQBKV-WCQGTBRESA-N 2 2 364.368 0.310 10 0 FCAELP CC(C)S(=O)(=O)CCC[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549921 672136475 /nfs/dbraw/zinc/13/64/75/672136475.db2.gz ULLCZXDLINALDY-CABCVRRESA-N 2 2 359.492 0.457 10 0 FCAELP COCC[NH+]1CCN(C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC000865788063 672250968 /nfs/dbraw/zinc/25/09/68/672250968.db2.gz XSWXXSNTBZBYFG-AWEZNQCLSA-N 2 2 358.483 0.232 10 0 FCAELP COCCn1ncc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000865798915 672252263 /nfs/dbraw/zinc/25/22/63/672252263.db2.gz BEOGMDNUVFCVEL-UHFFFAOYSA-N 2 2 351.495 0.936 10 0 FCAELP COCCn1ncc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000865798915 672252264 /nfs/dbraw/zinc/25/22/64/672252264.db2.gz BEOGMDNUVFCVEL-UHFFFAOYSA-N 2 2 351.495 0.936 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](N3C(=O)N[C@H](Cc4cncs4)C3=O)C2)CC1 ZINC000871894338 672579958 /nfs/dbraw/zinc/57/99/58/672579958.db2.gz NTNBJXRKFSNGSQ-UKRRQHHQSA-N 2 2 363.487 0.775 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](N3C(=O)N[C@H](Cc4cncs4)C3=O)C2)CC1 ZINC000871894338 672579962 /nfs/dbraw/zinc/57/99/62/672579962.db2.gz NTNBJXRKFSNGSQ-UKRRQHHQSA-N 2 2 363.487 0.775 10 0 FCAELP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872192076 672600275 /nfs/dbraw/zinc/60/02/75/672600275.db2.gz RQJYMDNDORIAGL-NEPJUHHUSA-N 2 2 361.368 0.327 10 0 FCAELP CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925169160 673781236 /nfs/dbraw/zinc/78/12/36/673781236.db2.gz JGUYNHVROLXPHX-BZUAXINKSA-N 2 2 356.536 0.976 10 0 FCAELP CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000925169160 673781238 /nfs/dbraw/zinc/78/12/38/673781238.db2.gz JGUYNHVROLXPHX-BZUAXINKSA-N 2 2 356.536 0.976 10 0 FCAELP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000925612055 673797000 /nfs/dbraw/zinc/79/70/00/673797000.db2.gz HQHPLMBPPDLBSA-SJORKVTESA-N 2 2 356.511 0.849 10 0 FCAELP CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925807834 673805078 /nfs/dbraw/zinc/80/50/78/673805078.db2.gz DKSHPOHBVFCRRH-ZIAGYGMSSA-N 2 2 351.538 0.802 10 0 FCAELP Cn1nc([C@@H]2CCCOC2)cc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000926107998 673811646 /nfs/dbraw/zinc/81/16/46/673811646.db2.gz HIPGEXDUJUPELY-CYBMUJFWSA-N 2 2 350.467 0.859 10 0 FCAELP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000927629039 673870936 /nfs/dbraw/zinc/87/09/36/673870936.db2.gz DHPRUJGGMHYHQL-DOTOQJQBSA-N 2 2 354.495 0.650 10 0 FCAELP CC[C@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000927629039 673870939 /nfs/dbraw/zinc/87/09/39/673870939.db2.gz DHPRUJGGMHYHQL-DOTOQJQBSA-N 2 2 354.495 0.650 10 0 FCAELP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927629039 673870943 /nfs/dbraw/zinc/87/09/43/673870943.db2.gz DHPRUJGGMHYHQL-DOTOQJQBSA-N 2 2 354.495 0.650 10 0 FCAELP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927629039 673870947 /nfs/dbraw/zinc/87/09/47/673870947.db2.gz DHPRUJGGMHYHQL-DOTOQJQBSA-N 2 2 354.495 0.650 10 0 FCAELP C[C@@H]1C[C@H](C[NH+]2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000929259726 673946906 /nfs/dbraw/zinc/94/69/06/673946906.db2.gz LOIWNSXPHFAALS-FVQHAEBGSA-N 2 2 374.551 0.300 10 0 FCAELP O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000901057296 675747079 /nfs/dbraw/zinc/74/70/79/675747079.db2.gz GOQGZVPBYRTFMD-BZSNNMDCSA-N 2 2 351.491 0.953 10 0 FCAELP O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000901057296 675747080 /nfs/dbraw/zinc/74/70/80/675747080.db2.gz GOQGZVPBYRTFMD-BZSNNMDCSA-N 2 2 351.491 0.953 10 0 FCAELP CCOCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001266474925 1168483780 /nfs/dbraw/zinc/48/37/80/1168483780.db2.gz YUXPBOCYQIAHSC-KURKYZTESA-N 2 2 369.506 0.483 10 0 FCAELP CCOCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001266474925 1168483787 /nfs/dbraw/zinc/48/37/87/1168483787.db2.gz YUXPBOCYQIAHSC-KURKYZTESA-N 2 2 369.506 0.483 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2nnc(C3CC3)o2)CC[N@@H+]1C ZINC001482731832 1192374797 /nfs/dbraw/zinc/37/47/97/1192374797.db2.gz ZJXNGDFCFRHNPI-HZSPNIEDSA-N 2 2 351.451 0.244 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2nnc(C3CC3)o2)CC[N@H+]1C ZINC001482731832 1192374801 /nfs/dbraw/zinc/37/48/01/1192374801.db2.gz ZJXNGDFCFRHNPI-HZSPNIEDSA-N 2 2 351.451 0.244 10 0 FCAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CC(=O)Nc1cnccn1 ZINC001266971717 1171184743 /nfs/dbraw/zinc/18/47/43/1171184743.db2.gz OUINRELEHZSDLV-JHJVBQTASA-N 2 2 357.418 0.047 10 0 FCAELP CC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H]1C ZINC001719643957 1171523226 /nfs/dbraw/zinc/52/32/26/1171523226.db2.gz MMMQVGWCTBAJEN-OAGGEKHMSA-N 2 2 361.490 0.893 10 0 FCAELP CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H]1C ZINC001719643957 1171523232 /nfs/dbraw/zinc/52/32/32/1171523232.db2.gz MMMQVGWCTBAJEN-OAGGEKHMSA-N 2 2 361.490 0.893 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](C[NH2+]CCc2ccnn2C)C1 ZINC001267058638 1171571062 /nfs/dbraw/zinc/57/10/62/1171571062.db2.gz NKQXDYIXLFGYDD-DJIMGWMZSA-N 2 2 356.474 0.938 10 0 FCAELP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCc2ccccc2C1 ZINC000897587827 1192824020 /nfs/dbraw/zinc/82/40/20/1192824020.db2.gz HKNLEGCORKGVLS-CRAIPNDOSA-N 2 2 358.486 0.760 10 0 FCAELP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCc2ccccc2C1 ZINC000897587827 1192824022 /nfs/dbraw/zinc/82/40/22/1192824022.db2.gz HKNLEGCORKGVLS-CRAIPNDOSA-N 2 2 358.486 0.760 10 0 FCAELP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000897587827 1192824023 /nfs/dbraw/zinc/82/40/23/1192824023.db2.gz HKNLEGCORKGVLS-CRAIPNDOSA-N 2 2 358.486 0.760 10 0 FCAELP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000897587827 1192824026 /nfs/dbraw/zinc/82/40/26/1192824026.db2.gz HKNLEGCORKGVLS-CRAIPNDOSA-N 2 2 358.486 0.760 10 0 FCAELP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000897946242 1192852483 /nfs/dbraw/zinc/85/24/83/1192852483.db2.gz NCRPDSUTMFIWOA-MRXNPFEDSA-N 2 2 374.489 0.389 10 0 FCAELP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000897946242 1192852485 /nfs/dbraw/zinc/85/24/85/1192852485.db2.gz NCRPDSUTMFIWOA-MRXNPFEDSA-N 2 2 374.489 0.389 10 0 FCAELP COCC[NH+](CCOC)C1CN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000898250967 1192864191 /nfs/dbraw/zinc/86/41/91/1192864191.db2.gz DVOOHWIELOXFAO-QGZVFWFLSA-N 2 2 365.478 0.596 10 0 FCAELP COCC[NH+](CCOC)C1CN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000898250967 1192864192 /nfs/dbraw/zinc/86/41/92/1192864192.db2.gz DVOOHWIELOXFAO-QGZVFWFLSA-N 2 2 365.478 0.596 10 0 FCAELP C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)NC(=O)C1CC[NH+](C)CC1 ZINC001744978962 1178885273 /nfs/dbraw/zinc/88/52/73/1178885273.db2.gz ZHNRNHOKAVWOEP-FVQBIDKESA-N 2 2 361.490 0.876 10 0 FCAELP CC[NH+](CC)CC(=O)N1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001719687998 1179386228 /nfs/dbraw/zinc/38/62/28/1179386228.db2.gz KKZJKOFBVBEQKY-HNAYVOBHSA-N 2 2 361.490 0.611 10 0 FCAELP CN(CC[NH2+]Cc1cccnc1)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001267406838 1180478620 /nfs/dbraw/zinc/47/86/20/1180478620.db2.gz DOZZSITWDZZENB-MSOLQXFVSA-N 2 2 362.474 0.509 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC2C[NH+](C[C@@H](O)COCc3cccs3)C2)CC[N@@H+]1C ZINC001481559133 1186354755 /nfs/dbraw/zinc/35/47/55/1186354755.db2.gz HRTORCGCQJAPEH-FRFSOERESA-N 2 2 367.515 0.766 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC2C[NH+](C[C@@H](O)COCc3cccs3)C2)CC[N@H+]1C ZINC001481559133 1186354760 /nfs/dbraw/zinc/35/47/60/1186354760.db2.gz HRTORCGCQJAPEH-FRFSOERESA-N 2 2 367.515 0.766 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@](C)(C[NH2+]CCn1cncn1)C1CC1 ZINC001481942452 1187557375 /nfs/dbraw/zinc/55/73/75/1187557375.db2.gz MOMZATHITHTHPR-IIDMSEBBSA-N 2 2 357.462 0.690 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]Cc2nnnn2-c2ccccc2)CC[N@@H+]1C ZINC001268542156 1187584852 /nfs/dbraw/zinc/58/48/52/1187584852.db2.gz MIFBNSLHEJHYMZ-IKJDWHLJSA-N 2 2 369.473 0.765 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]Cc2nnnn2-c2ccccc2)CC[N@H+]1C ZINC001268542156 1187584857 /nfs/dbraw/zinc/58/48/57/1187584857.db2.gz MIFBNSLHEJHYMZ-IKJDWHLJSA-N 2 2 369.473 0.765 10 0 FCAELP C[C@@H](C[NH2+]Cc1cc(=O)n2nccc2[nH]1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001268704666 1187763578 /nfs/dbraw/zinc/76/35/78/1187763578.db2.gz MNAOZERZCFWOHE-IACUBPJLSA-N 2 2 369.429 0.154 10 0 FCAELP C[C@H]([NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(=O)Nc1ncccn1 ZINC001268798329 1187782024 /nfs/dbraw/zinc/78/20/24/1187782024.db2.gz IIYNOUDQPQDMBM-BFHYXJOUSA-N 2 2 371.445 0.769 10 0 FCAELP C[C@H]([NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(=O)Nc1ncccn1 ZINC001268798329 1187782027 /nfs/dbraw/zinc/78/20/27/1187782027.db2.gz IIYNOUDQPQDMBM-BFHYXJOUSA-N 2 2 371.445 0.769 10 0 FCAELP Cc1ncoc1C[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000894560687 1188231707 /nfs/dbraw/zinc/23/17/07/1188231707.db2.gz VJBVGMBEYPFBBL-OAHLLOKOSA-N 2 2 372.473 0.919 10 0 FCAELP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1c[nH+]cn1C ZINC001719919449 1191212971 /nfs/dbraw/zinc/21/29/71/1191212971.db2.gz RCBQLGFTPXVHMC-OIISXLGYSA-N 2 2 361.490 0.943 10 0 FCAELP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1c[nH+]cn1C ZINC001719919449 1191212973 /nfs/dbraw/zinc/21/29/73/1191212973.db2.gz RCBQLGFTPXVHMC-OIISXLGYSA-N 2 2 361.490 0.943 10 0 FCAELP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000550898575 1193818982 /nfs/dbraw/zinc/81/89/82/1193818982.db2.gz GNUBMLOZJNLVLE-HNNXBMFYSA-N 2 2 371.485 0.767 10 0 FCAELP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000550898575 1193818983 /nfs/dbraw/zinc/81/89/83/1193818983.db2.gz GNUBMLOZJNLVLE-HNNXBMFYSA-N 2 2 371.485 0.767 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C\C[NH2+]CC(=O)N1CCCCC1 ZINC001483061069 1193854149 /nfs/dbraw/zinc/85/41/49/1193854149.db2.gz RWCWLFACJUVDOX-JGPFYOFESA-N 2 2 359.474 0.798 10 0 FCAELP CO[C@H]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000552864789 1193956574 /nfs/dbraw/zinc/95/65/74/1193956574.db2.gz PXGBWEUYBQKAFL-RDJZCZTQSA-N 2 2 366.506 0.345 10 0 FCAELP COCC[NH+](CCOC)C1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000553210827 1193979502 /nfs/dbraw/zinc/97/95/02/1193979502.db2.gz RYSBXENTSAYLBG-UHFFFAOYSA-N 2 2 371.522 0.683 10 0 FCAELP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000898625432 1194054896 /nfs/dbraw/zinc/05/48/96/1194054896.db2.gz GLVDIJAJJIZIBV-XYVMCAHJSA-N 2 2 364.534 0.879 10 0 FCAELP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000898625432 1194054902 /nfs/dbraw/zinc/05/49/02/1194054902.db2.gz GLVDIJAJJIZIBV-XYVMCAHJSA-N 2 2 364.534 0.879 10 0 FCAELP C[NH+]1CCN(C(=O)c2ccc(-c3noc([C@@H]4[C@@H]5CC[NH2+]C[C@@H]54)n3)cn2)CC1 ZINC000904103644 1195524654 /nfs/dbraw/zinc/52/46/54/1195524654.db2.gz BTSXFWKIKHERPY-IJEWVQPXSA-N 2 2 368.441 0.842 10 0 FCAELP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N(C)CC[NH+](C)CCO)CC2 ZINC000912606512 1196352075 /nfs/dbraw/zinc/35/20/75/1196352075.db2.gz FFLKQGMYOQOQMP-UHFFFAOYSA-N 2 2 365.474 0.444 10 0 FCAELP COc1cc2c(cc1OC)C[NH+](CC(=O)N(C)CC[N@H+](C)CCO)CC2 ZINC000912606512 1196352080 /nfs/dbraw/zinc/35/20/80/1196352080.db2.gz FFLKQGMYOQOQMP-UHFFFAOYSA-N 2 2 365.474 0.444 10 0 FCAELP COc1cc2c(cc1OC)C[NH+](CC(=O)N(C)CC[N@@H+](C)CCO)CC2 ZINC000912606512 1196352087 /nfs/dbraw/zinc/35/20/87/1196352087.db2.gz FFLKQGMYOQOQMP-UHFFFAOYSA-N 2 2 365.474 0.444 10 0 FCAELP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1C[NH+](C)CCN1Cc1ccccc1 ZINC000912723375 1196360947 /nfs/dbraw/zinc/36/09/47/1196360947.db2.gz DILZETFITHZFMX-QWFCFKBJSA-N 2 2 360.502 0.374 10 0 FCAELP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1C[NH+](C)CCN1Cc1ccccc1 ZINC000912723375 1196360952 /nfs/dbraw/zinc/36/09/52/1196360952.db2.gz DILZETFITHZFMX-QWFCFKBJSA-N 2 2 360.502 0.374 10 0 FCAELP O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000913187035 1196403050 /nfs/dbraw/zinc/40/30/50/1196403050.db2.gz SWVYGQBDZSLVCZ-PKOBYXMFSA-N 2 2 365.449 0.647 10 0 FCAELP O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000913187035 1196403054 /nfs/dbraw/zinc/40/30/54/1196403054.db2.gz SWVYGQBDZSLVCZ-PKOBYXMFSA-N 2 2 365.449 0.647 10 0 FCAELP O=C(N1CC[NH2+][C@H](c2cn[nH]c2)C1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000913447881 1196435818 /nfs/dbraw/zinc/43/58/18/1196435818.db2.gz ORSRHAYHKGOHEO-HKUYNNGSSA-N 2 2 355.442 0.520 10 0 FCAELP O=C(N1CC[NH2+][C@H](c2cn[nH]c2)C1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000913447881 1196435829 /nfs/dbraw/zinc/43/58/29/1196435829.db2.gz ORSRHAYHKGOHEO-HKUYNNGSSA-N 2 2 355.442 0.520 10 0 FCAELP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@H+](C)[C@@H](CO)C3)cc2F)CC1 ZINC000913548269 1196456771 /nfs/dbraw/zinc/45/67/71/1196456771.db2.gz IXWBHKHJECIIQC-MRXNPFEDSA-N 2 2 364.465 0.716 10 0 FCAELP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@@H+](C)[C@@H](CO)C3)cc2F)CC1 ZINC000913548269 1196456774 /nfs/dbraw/zinc/45/67/74/1196456774.db2.gz IXWBHKHJECIIQC-MRXNPFEDSA-N 2 2 364.465 0.716 10 0 FCAELP CCOC(=O)C1CCN(C(=O)C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000592182149 1196540913 /nfs/dbraw/zinc/54/09/13/1196540913.db2.gz KGIJNQADZAOKBA-UHFFFAOYSA-N 2 2 367.490 0.585 10 0 FCAELP CCOC(=O)C1CCN(C(=O)C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000592182149 1196540916 /nfs/dbraw/zinc/54/09/16/1196540916.db2.gz KGIJNQADZAOKBA-UHFFFAOYSA-N 2 2 367.490 0.585 10 0 FCAELP CNC(=O)c1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001272443078 1197080862 /nfs/dbraw/zinc/08/08/62/1197080862.db2.gz KPBBNEZEECPBFE-BZUAXINKSA-N 2 2 371.441 0.140 10 0 FCAELP CNC(=O)c1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC001272443078 1197080866 /nfs/dbraw/zinc/08/08/66/1197080866.db2.gz KPBBNEZEECPBFE-BZUAXINKSA-N 2 2 371.441 0.140 10 0 FCAELP Cc1csc(=O)n1CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001483742538 1197642903 /nfs/dbraw/zinc/64/29/03/1197642903.db2.gz LMBPXNPDPZTIED-CHWSQXEVSA-N 2 2 361.471 0.983 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000785728569 1200789946 /nfs/dbraw/zinc/78/99/46/1200789946.db2.gz CAPVJHILKOMEPA-YESZJQIVSA-N 2 2 369.506 0.875 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000785728569 1200789952 /nfs/dbraw/zinc/78/99/52/1200789952.db2.gz CAPVJHILKOMEPA-YESZJQIVSA-N 2 2 369.506 0.875 10 0 FCAELP CC(C)[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001136949071 1203304200 /nfs/dbraw/zinc/30/42/00/1203304200.db2.gz JSFVUIHBCCETAR-IAGOWNOFSA-N 2 2 366.506 0.156 10 0 FCAELP CC(C)[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001136949071 1203304203 /nfs/dbraw/zinc/30/42/03/1203304203.db2.gz JSFVUIHBCCETAR-IAGOWNOFSA-N 2 2 366.506 0.156 10 0 FCAELP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001147765176 1204806468 /nfs/dbraw/zinc/80/64/68/1204806468.db2.gz RYKWKTMWZUODOD-GVDBMIGSSA-N 2 2 366.506 0.156 10 0 FCAELP CN(CCC[N@H+](C)[C@@H]1CCC(=O)NC1=O)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001273560956 1207451449 /nfs/dbraw/zinc/45/14/49/1207451449.db2.gz RSWFFLPUMHQNCO-MGPQQGTHSA-N 2 2 361.446 0.109 10 0 FCAELP CN(CCC[N@@H+](C)[C@@H]1CCC(=O)NC1=O)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001273560956 1207451455 /nfs/dbraw/zinc/45/14/55/1207451455.db2.gz RSWFFLPUMHQNCO-MGPQQGTHSA-N 2 2 361.446 0.109 10 0 FCAELP CC(C)NC(=O)NCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001488834988 1208556200 /nfs/dbraw/zinc/55/62/00/1208556200.db2.gz QFWPLUVGWJKUNN-KBUPBQIOSA-N 2 2 362.478 0.705 10 0 FCAELP CC(C)NC(=O)NCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001488834988 1208556207 /nfs/dbraw/zinc/55/62/07/1208556207.db2.gz QFWPLUVGWJKUNN-KBUPBQIOSA-N 2 2 362.478 0.705 10 0 FCAELP CCN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H]1C ZINC001489312338 1208786479 /nfs/dbraw/zinc/78/64/79/1208786479.db2.gz JRMYIFQNEOZDMZ-PMPSAXMXSA-N 2 2 354.495 0.155 10 0 FCAELP CCN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H]1C ZINC001489312338 1208786482 /nfs/dbraw/zinc/78/64/82/1208786482.db2.gz JRMYIFQNEOZDMZ-PMPSAXMXSA-N 2 2 354.495 0.155 10 0 FCAELP CCN(CC)C(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001489312338 1208786486 /nfs/dbraw/zinc/78/64/86/1208786486.db2.gz JRMYIFQNEOZDMZ-PMPSAXMXSA-N 2 2 354.495 0.155 10 0 FCAELP CCN(CC)C(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001489312338 1208786488 /nfs/dbraw/zinc/78/64/88/1208786488.db2.gz JRMYIFQNEOZDMZ-PMPSAXMXSA-N 2 2 354.495 0.155 10 0 FCAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001489381107 1208803046 /nfs/dbraw/zinc/80/30/46/1208803046.db2.gz FJWNMVHNSDGVDA-NUEKZKHPSA-N 2 2 365.478 0.008 10 0 FCAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001489381107 1208803049 /nfs/dbraw/zinc/80/30/49/1208803049.db2.gz FJWNMVHNSDGVDA-NUEKZKHPSA-N 2 2 365.478 0.008 10 0 FCAELP CC(C)[N@H+](C)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H]1C ZINC001490101813 1209229799 /nfs/dbraw/zinc/22/97/99/1209229799.db2.gz YBOKULDWKSBQRE-INMHGKMJSA-N 2 2 361.490 0.891 10 0 FCAELP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H]1C ZINC001490101813 1209229802 /nfs/dbraw/zinc/22/98/02/1209229802.db2.gz YBOKULDWKSBQRE-INMHGKMJSA-N 2 2 361.490 0.891 10 0 FCAELP CC[NH+](CC)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H]1C ZINC001490094780 1209253285 /nfs/dbraw/zinc/25/32/85/1209253285.db2.gz ILIYFYBJTCHWLT-INMHGKMJSA-N 2 2 361.490 0.893 10 0 FCAELP C[NH+](C)CC1(C(=O)N2C[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@]3(C)C2)CC1 ZINC001490244344 1209285482 /nfs/dbraw/zinc/28/54/82/1209285482.db2.gz OTBPHIHUERCKNN-KBXCAEBGSA-N 2 2 359.474 0.601 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CC(=O)N(C)Cc3ccco3)C2)CC[N@@H+]1C ZINC001490540393 1209367495 /nfs/dbraw/zinc/36/74/95/1209367495.db2.gz GSOIOOUYBUMNAF-BFYDXBDKSA-N 2 2 362.474 0.769 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CC(=O)N(C)Cc3ccco3)C2)CC[N@H+]1C ZINC001490540393 1209367500 /nfs/dbraw/zinc/36/75/00/1209367500.db2.gz GSOIOOUYBUMNAF-BFYDXBDKSA-N 2 2 362.474 0.769 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)Cc3ccco3)C2)CC[NH+]1C ZINC001490540393 1209367504 /nfs/dbraw/zinc/36/75/04/1209367504.db2.gz GSOIOOUYBUMNAF-BFYDXBDKSA-N 2 2 362.474 0.769 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)Cc3ccco3)C2)CC[NH+]1C ZINC001490540393 1209367507 /nfs/dbraw/zinc/36/75/07/1209367507.db2.gz GSOIOOUYBUMNAF-BFYDXBDKSA-N 2 2 362.474 0.769 10 0 FCAELP CCn1ncc(C[NH2+][C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C2CC2)n1 ZINC001490712417 1209410855 /nfs/dbraw/zinc/41/08/55/1209410855.db2.gz IXYFACSUFMJMHI-OAGGEKHMSA-N 2 2 357.462 0.820 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cnn(C)c1C1CC1 ZINC000850572159 1209460040 /nfs/dbraw/zinc/46/00/40/1209460040.db2.gz HEAJMDNCEXJOSX-ZDUSSCGKSA-N 2 2 364.494 0.624 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cnn(C)c1C1CC1 ZINC000850572159 1209460044 /nfs/dbraw/zinc/46/00/44/1209460044.db2.gz HEAJMDNCEXJOSX-ZDUSSCGKSA-N 2 2 364.494 0.624 10 0 FCAELP O=C1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N1C[NH+]1CCC2(COC2)C1 ZINC000853598283 1209600167 /nfs/dbraw/zinc/60/01/67/1209600167.db2.gz RBILLBHIHXVUQN-CALCHBBNSA-N 2 2 355.438 0.783 10 0 FCAELP O=C1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N1C[NH+]1CCC2(COC2)C1 ZINC000853598283 1209600169 /nfs/dbraw/zinc/60/01/69/1209600169.db2.gz RBILLBHIHXVUQN-CALCHBBNSA-N 2 2 355.438 0.783 10 0 FCAELP O=C1[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C(=O)N1C[N@@H+]1CCC2(COC2)C1 ZINC000853598283 1209600171 /nfs/dbraw/zinc/60/01/71/1209600171.db2.gz RBILLBHIHXVUQN-CALCHBBNSA-N 2 2 355.438 0.783 10 0 FCAELP O=C1[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C(=O)N1C[N@H+]1CCC2(COC2)C1 ZINC000853598283 1209600173 /nfs/dbraw/zinc/60/01/73/1209600173.db2.gz RBILLBHIHXVUQN-CALCHBBNSA-N 2 2 355.438 0.783 10 0 FCAELP C[NH+]1CCN(C(=O)CC[NH+]2CC(C)(c3nnc(-c4cccnc4)o3)C2)CC1 ZINC000854081129 1209615303 /nfs/dbraw/zinc/61/53/03/1209615303.db2.gz NVNOGORYOMNHNB-UHFFFAOYSA-N 2 2 370.457 0.869 10 0 FCAELP CN(C(=O)Cc1ccc(C(N)=O)nc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000859332882 1209817584 /nfs/dbraw/zinc/81/75/84/1209817584.db2.gz FUONYMXTYQJTIL-MRXNPFEDSA-N 2 2 359.474 0.350 10 0 FCAELP CN(C(=O)Cc1ccc(C(N)=O)nc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000859332882 1209817585 /nfs/dbraw/zinc/81/75/85/1209817585.db2.gz FUONYMXTYQJTIL-MRXNPFEDSA-N 2 2 359.474 0.350 10 0 FCAELP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C ZINC000865203200 1209974973 /nfs/dbraw/zinc/97/49/73/1209974973.db2.gz SSXIWCQXMFJBML-GJZGRUSLSA-N 2 2 371.526 0.193 10 0 FCAELP CO[C@H]1CN2C(=O)N(C3CC[NH+](C4CC[NH+](C)CC4)CC3)C(=O)[C@@]2(C)C1 ZINC000865302717 1209975594 /nfs/dbraw/zinc/97/55/94/1209975594.db2.gz ZWSDSLSOMPYRSU-VQIMIIECSA-N 2 2 364.490 0.987 10 0 FCAELP CO[C@@H](C(=O)OC(C)(C)C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000865727726 1209983269 /nfs/dbraw/zinc/98/32/69/1209983269.db2.gz GGRYPPSDBJYIAZ-JKSUJKDBSA-N 2 2 369.506 0.970 10 0 FCAELP CO[C@@H](C(=O)OC(C)(C)C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000865727726 1209983271 /nfs/dbraw/zinc/98/32/71/1209983271.db2.gz GGRYPPSDBJYIAZ-JKSUJKDBSA-N 2 2 369.506 0.970 10 0 FCAELP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000865997248 1209989607 /nfs/dbraw/zinc/98/96/07/1209989607.db2.gz WMBOKFIVYYJEIU-SFHVURJKSA-N 2 2 373.457 0.732 10 0 FCAELP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000867510241 1210010302 /nfs/dbraw/zinc/01/03/02/1210010302.db2.gz IAQQLPBKQVVROS-IAGOWNOFSA-N 2 2 366.506 0.108 10 0 FCAELP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000867510241 1210010306 /nfs/dbraw/zinc/01/03/06/1210010306.db2.gz IAQQLPBKQVVROS-IAGOWNOFSA-N 2 2 366.506 0.108 10 0 FCAELP CC(C)[NH+]1CCN(C(=O)C(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)CC1 ZINC000867846455 1210034094 /nfs/dbraw/zinc/03/40/94/1210034094.db2.gz XJINEPMUWGLSEK-UHFFFAOYSA-N 2 2 366.506 0.110 10 0 FCAELP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)C1 ZINC000868383654 1210057534 /nfs/dbraw/zinc/05/75/34/1210057534.db2.gz XCPISZPLEGSPHG-LIRRHRJNSA-N 2 2 361.490 0.960 10 0 FCAELP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000870876360 1210121053 /nfs/dbraw/zinc/12/10/53/1210121053.db2.gz MBZNYQNEBMPGFW-QMTMVMCOSA-N 2 2 357.458 0.364 10 0 FCAELP C[NH+]1CCN(C(=O)c2ccc(-c3noc([C@@]4(C)C[NH2+]CCO4)n3)cc2)CC1 ZINC000872177477 1210174108 /nfs/dbraw/zinc/17/41/08/1210174108.db2.gz APAARJVLXFOAFA-LJQANCHMSA-N 2 2 371.441 0.959 10 0 FCAELP C[NH+](C)C[C@H](N)c1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)no1 ZINC000872177901 1210175458 /nfs/dbraw/zinc/17/54/58/1210175458.db2.gz IGXPPSACRZDQCD-HNNXBMFYSA-N 2 2 358.446 0.686 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C\C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001274377842 1211040150 /nfs/dbraw/zinc/04/01/50/1211040150.db2.gz JKTXTKARKBYNOL-LWXBCBKMSA-N 2 2 355.446 0.565 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](N3C(=O)N[C@H](CC4CCOCC4)C3=O)C2)CC1 ZINC000924633710 1211475773 /nfs/dbraw/zinc/47/57/73/1211475773.db2.gz KAEIZRRYADCMPA-IAGOWNOFSA-N 2 2 364.490 0.892 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](N3C(=O)N[C@H](CC4CCOCC4)C3=O)C2)CC1 ZINC000924633710 1211475777 /nfs/dbraw/zinc/47/57/77/1211475777.db2.gz KAEIZRRYADCMPA-IAGOWNOFSA-N 2 2 364.490 0.892 10 0 FCAELP COc1cc(C(=O)N(C)C)ccc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000926054433 1211513720 /nfs/dbraw/zinc/51/37/20/1211513720.db2.gz LZJBDKADTMIBKY-UHFFFAOYSA-N 2 2 363.462 0.942 10 0 FCAELP C[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1N=NC(=O)N1C ZINC000926148813 1211519054 /nfs/dbraw/zinc/51/90/54/1211519054.db2.gz UAFKPSPHKLEMFO-OCCSQVGLSA-N 2 2 365.482 0.392 10 0 FCAELP C[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1N=NC(=O)N1C ZINC000926148813 1211519064 /nfs/dbraw/zinc/51/90/64/1211519064.db2.gz UAFKPSPHKLEMFO-OCCSQVGLSA-N 2 2 365.482 0.392 10 0 FCAELP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)CC1 ZINC000926347101 1211536432 /nfs/dbraw/zinc/53/64/32/1211536432.db2.gz MHCSZQQBWCBSOS-LJQANCHMSA-N 2 2 366.506 0.300 10 0 FCAELP CC1(C)CC(=O)NCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000931206422 1211745683 /nfs/dbraw/zinc/74/56/83/1211745683.db2.gz XPUCZVFKHCJAAL-UHFFFAOYSA-N 2 2 359.474 0.721 10 0 FCAELP CC1(C)CC(=O)NCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000931206422 1211745685 /nfs/dbraw/zinc/74/56/85/1211745685.db2.gz XPUCZVFKHCJAAL-UHFFFAOYSA-N 2 2 359.474 0.721 10 0 FCAELP CN1CC[N@H+](C[C@H](CN2CC[NH+](C)[C@@H](CO)C2)C2CCCC2)C[C@H]1CO ZINC000931398722 1211753673 /nfs/dbraw/zinc/75/36/73/1211753673.db2.gz SVAXKISFVFJNPJ-ACDBMABISA-N 2 2 368.566 0.009 10 0 FCAELP CN1CC[N@@H+](C[C@H](CN2CC[NH+](C)[C@@H](CO)C2)C2CCCC2)C[C@H]1CO ZINC000931398722 1211753677 /nfs/dbraw/zinc/75/36/77/1211753677.db2.gz SVAXKISFVFJNPJ-ACDBMABISA-N 2 2 368.566 0.009 10 0 FCAELP CN1CC[NH+](C[C@H](CN2CC[N@H+](C)[C@@H](CO)C2)C2CCCC2)C[C@H]1CO ZINC000931398722 1211753679 /nfs/dbraw/zinc/75/36/79/1211753679.db2.gz SVAXKISFVFJNPJ-ACDBMABISA-N 2 2 368.566 0.009 10 0 FCAELP CN1CC[NH+](C[C@H](CN2CC[N@@H+](C)[C@@H](CO)C2)C2CCCC2)C[C@H]1CO ZINC000931398722 1211753682 /nfs/dbraw/zinc/75/36/82/1211753682.db2.gz SVAXKISFVFJNPJ-ACDBMABISA-N 2 2 368.566 0.009 10 0 FCAELP CN1CC[N@H+](C[C@@H](CN2CC[NH+](C)[C@H](CO)C2)C2CCCC2)C[C@@H]1CO ZINC000931398722 1211753683 /nfs/dbraw/zinc/75/36/83/1211753683.db2.gz SVAXKISFVFJNPJ-ACDBMABISA-N 2 2 368.566 0.009 10 0 FCAELP CN1CC[N@@H+](C[C@@H](CN2CC[NH+](C)[C@H](CO)C2)C2CCCC2)C[C@@H]1CO ZINC000931398722 1211753686 /nfs/dbraw/zinc/75/36/86/1211753686.db2.gz SVAXKISFVFJNPJ-ACDBMABISA-N 2 2 368.566 0.009 10 0 FCAELP CN1CC[NH+](C[C@@H](CN2CC[N@H+](C)[C@H](CO)C2)C2CCCC2)C[C@@H]1CO ZINC000931398722 1211753689 /nfs/dbraw/zinc/75/36/89/1211753689.db2.gz SVAXKISFVFJNPJ-ACDBMABISA-N 2 2 368.566 0.009 10 0 FCAELP CN1CC[NH+](C[C@@H](CN2CC[N@@H+](C)[C@H](CO)C2)C2CCCC2)C[C@@H]1CO ZINC000931398722 1211753691 /nfs/dbraw/zinc/75/36/91/1211753691.db2.gz SVAXKISFVFJNPJ-ACDBMABISA-N 2 2 368.566 0.009 10 0 FCAELP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000900207985 1217971168 /nfs/dbraw/zinc/97/11/68/1217971168.db2.gz ANTWEOGKMCMQJM-ICSRJNTNSA-N 2 2 360.502 0.505 10 0 FCAELP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000900207985 1217971173 /nfs/dbraw/zinc/97/11/73/1217971173.db2.gz ANTWEOGKMCMQJM-ICSRJNTNSA-N 2 2 360.502 0.505 10 0 FCAELP CN1CC[NH+](Cc2ccc(CNC(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)cc2)CC1 ZINC000900207985 1217971179 /nfs/dbraw/zinc/97/11/79/1217971179.db2.gz ANTWEOGKMCMQJM-ICSRJNTNSA-N 2 2 360.502 0.505 10 0 FCAELP CN1CC[NH+](Cc2ccc(CNC(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)cc2)CC1 ZINC000900207985 1217971183 /nfs/dbraw/zinc/97/11/83/1217971183.db2.gz ANTWEOGKMCMQJM-ICSRJNTNSA-N 2 2 360.502 0.505 10 0 FCAELP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)cc2)CC1 ZINC000900412105 1217985520 /nfs/dbraw/zinc/98/55/20/1217985520.db2.gz HMKITPIDAHVRHX-PXNSSMCTSA-N 2 2 374.485 0.858 10 0 FCAELP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)cc2)CC1 ZINC000900412105 1217985521 /nfs/dbraw/zinc/98/55/21/1217985521.db2.gz HMKITPIDAHVRHX-PXNSSMCTSA-N 2 2 374.485 0.858 10 0 FCAELP C/C(=C\C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)C[NH+]1CCOCC1 ZINC000900497489 1217998470 /nfs/dbraw/zinc/99/84/70/1217998470.db2.gz ORSMOAYLSFKRLA-FYPAKXHLSA-N 2 2 366.506 0.324 10 0 FCAELP C/C(=C\C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C[NH+]1CCOCC1 ZINC000900497489 1217998477 /nfs/dbraw/zinc/99/84/77/1217998477.db2.gz ORSMOAYLSFKRLA-FYPAKXHLSA-N 2 2 366.506 0.324 10 0 FCAELP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000900926151 1218056690 /nfs/dbraw/zinc/05/66/90/1218056690.db2.gz PETVRBXAYYRWRQ-YLJYHZDGSA-N 2 2 374.485 0.397 10 0 FCAELP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000900926151 1218056696 /nfs/dbraw/zinc/05/66/96/1218056696.db2.gz PETVRBXAYYRWRQ-YLJYHZDGSA-N 2 2 374.485 0.397 10 0 FCAELP CC1(C)CN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@@H]1[NH3+] ZINC000903557527 1218448762 /nfs/dbraw/zinc/44/87/62/1218448762.db2.gz BZYCIZBODDCVIR-SFHVURJKSA-N 2 2 360.502 0.804 10 0 FCAELP [NH3+][C@H]1CN(C(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC[C@H]1C(F)(F)F ZINC000903731367 1218510347 /nfs/dbraw/zinc/51/03/47/1218510347.db2.gz DNSKXTUKQHVSCB-NEPJUHHUSA-N 2 2 373.379 0.854 10 0 FCAELP c1nc(N2CCOCC2)cc(N2CC[NH+](C[C@@H]3CCCC[NH2+]C3)CC2)n1 ZINC000903752311 1218515817 /nfs/dbraw/zinc/51/58/17/1218515817.db2.gz MVUMLAXAHUDKDF-QGZVFWFLSA-N 2 2 360.506 0.825 10 0 FCAELP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903760225 1218518774 /nfs/dbraw/zinc/51/87/74/1218518774.db2.gz RHUAOMMMZUTHQW-GRYCIOLGSA-N 2 2 373.379 0.474 10 0 FCAELP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903760227 1218519612 /nfs/dbraw/zinc/51/96/12/1218519612.db2.gz RHUAOMMMZUTHQW-IJLUTSLNSA-N 2 2 373.379 0.474 10 0 FCAELP Cc1c(C[C@@H](C[NH3+])CN2CC[NH+](CC(=O)N3CCCC3)CC2)cnn1C ZINC000903878457 1218558922 /nfs/dbraw/zinc/55/89/22/1218558922.db2.gz UUDJNNRSBVXYIC-KRWDZBQOSA-N 2 2 362.522 0.086 10 0 FCAELP Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CCO)c(N(C)C)[nH+]1 ZINC000835489211 1222603922 /nfs/dbraw/zinc/60/39/22/1222603922.db2.gz WKAWXRRLOYUETR-CQSZACIVSA-N 2 2 363.462 0.358 10 0 FCAELP Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2CCO)c(N(C)C)[nH+]1 ZINC000835489211 1222603924 /nfs/dbraw/zinc/60/39/24/1222603924.db2.gz WKAWXRRLOYUETR-CQSZACIVSA-N 2 2 363.462 0.358 10 0 FCAELP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)[C@H](C)[NH+]1CCOCC1 ZINC000849521947 1245397573 /nfs/dbraw/zinc/39/75/73/1245397573.db2.gz HXYWRSKVXKKMDI-CWLKWCNXSA-N 2 2 363.506 0.681 10 0 FCAELP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)[C@H](C)[NH+]1CCOCC1 ZINC000849521947 1245397578 /nfs/dbraw/zinc/39/75/78/1245397578.db2.gz HXYWRSKVXKKMDI-CWLKWCNXSA-N 2 2 363.506 0.681 10 0 FCAELP CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[NH+]3CCN2CC3)[C@H](c2cnn(C)c2)C1 ZINC000849568415 1245401043 /nfs/dbraw/zinc/40/10/43/1245401043.db2.gz NZOYJFBNGSIQMW-FHWLQOOXSA-N 2 2 374.533 0.350 10 0 FCAELP CC(C)[N@H+]1CC[C@H](C(=O)NC[C@H]2C[NH+]3CCN2CC3)[C@H](c2cnn(C)c2)C1 ZINC000849568415 1245401049 /nfs/dbraw/zinc/40/10/49/1245401049.db2.gz NZOYJFBNGSIQMW-FHWLQOOXSA-N 2 2 374.533 0.350 10 0 FCAELP CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[NH+]3CCN2CC3)[C@@H](c2cnn(C)c2)C1 ZINC000849568416 1245401977 /nfs/dbraw/zinc/40/19/77/1245401977.db2.gz NZOYJFBNGSIQMW-GBESFXJTSA-N 2 2 374.533 0.350 10 0 FCAELP CC(C)[N@H+]1CC[C@H](C(=O)NC[C@H]2C[NH+]3CCN2CC3)[C@@H](c2cnn(C)c2)C1 ZINC000849568416 1245401979 /nfs/dbraw/zinc/40/19/79/1245401979.db2.gz NZOYJFBNGSIQMW-GBESFXJTSA-N 2 2 374.533 0.350 10 0 FCAELP Cn1nnc2c1C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000918905051 1245588332 /nfs/dbraw/zinc/58/83/32/1245588332.db2.gz CNQLOBJDLQBJOA-UONOGXRCSA-N 2 2 361.494 0.140 10 0 FCAELP Cn1nnc2c1C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000918905051 1245588334 /nfs/dbraw/zinc/58/83/34/1245588334.db2.gz CNQLOBJDLQBJOA-UONOGXRCSA-N 2 2 361.494 0.140 10 0 FCAELP CC[NH+]1CC[C@@H]1CNC(=O)c1cnc(C(=O)NC[C@@H]2CC[N@H+]2CC)cn1 ZINC000922168101 1245661857 /nfs/dbraw/zinc/66/18/57/1245661857.db2.gz GKVIURICYFUUOT-OKILXGFUSA-N 2 2 360.462 0.125 10 0 FCAELP CC[NH+]1CC[C@@H]1CNC(=O)c1cnc(C(=O)NC[C@@H]2CC[N@@H+]2CC)cn1 ZINC000922168101 1245661864 /nfs/dbraw/zinc/66/18/64/1245661864.db2.gz GKVIURICYFUUOT-OKILXGFUSA-N 2 2 360.462 0.125 10 0 FCAELP CC[NH+]1CC[C@H]1CNC(=O)c1cnc(C(=O)NC[C@H]2CC[N@@H+]2CC)cn1 ZINC000922168101 1245661871 /nfs/dbraw/zinc/66/18/71/1245661871.db2.gz GKVIURICYFUUOT-OKILXGFUSA-N 2 2 360.462 0.125 10 0 FCAELP CC[NH+]1CC[C@H]1CNC(=O)c1cnc(C(=O)NC[C@H]2CC[N@H+]2CC)cn1 ZINC000922168101 1245661878 /nfs/dbraw/zinc/66/18/78/1245661878.db2.gz GKVIURICYFUUOT-OKILXGFUSA-N 2 2 360.462 0.125 10 0 FCAELP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001515166626 1265450961 /nfs/dbraw/zinc/45/09/61/1265450961.db2.gz LWRLUBAVPTYIJU-HRCADAONSA-N 2 2 361.490 0.706 10 0 FCAELP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001515166626 1265450964 /nfs/dbraw/zinc/45/09/64/1265450964.db2.gz LWRLUBAVPTYIJU-HRCADAONSA-N 2 2 361.490 0.706 10 0 FCAELP O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001328959746 1265662812 /nfs/dbraw/zinc/66/28/12/1265662812.db2.gz TYOHATKALHYYLP-CFVMTHIKSA-N 2 2 374.445 0.165 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)COCC[NH+](C)C ZINC001519942642 1265809585 /nfs/dbraw/zinc/80/95/85/1265809585.db2.gz QQWGNIIMHSWRRA-JKSUJKDBSA-N 2 2 365.478 0.037 10 0 FCAELP C[C@@H](C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)n1cc[nH+]c1 ZINC001329949721 1265903899 /nfs/dbraw/zinc/90/38/99/1265903899.db2.gz GQQRNODSXPOQSY-LSDHHAIUSA-N 2 2 357.462 0.983 10 0 FCAELP 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FCAELP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2c2ccccc2)CC1 ZINC001479618587 1263274701 /nfs/dbraw/zinc/27/47/01/1263274701.db2.gz ZWRMWWKEPCGVFK-IAGOWNOFSA-N 2 2 358.486 0.788 10 0 FCAELP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2c2ccccc2)CC1 ZINC001479618587 1263274707 /nfs/dbraw/zinc/27/47/07/1263274707.db2.gz ZWRMWWKEPCGVFK-IAGOWNOFSA-N 2 2 358.486 0.788 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@@H+]1CCNC(=O)C1CC1 ZINC001479711030 1263370626 /nfs/dbraw/zinc/37/06/26/1263370626.db2.gz NERQHGZBMDAXDT-KMFMINBZSA-N 2 2 359.474 0.551 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@H+]1CCNC(=O)C1CC1 ZINC001479711030 1263370638 /nfs/dbraw/zinc/37/06/38/1263370638.db2.gz NERQHGZBMDAXDT-KMFMINBZSA-N 2 2 359.474 0.551 10 0 FCAELP C[C@@H](c1nnnn1C)[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001316643828 1263390499 /nfs/dbraw/zinc/39/04/99/1263390499.db2.gz HOWNSBBYFCSYRV-BHYGNILZSA-N 2 2 371.489 0.807 10 0 FCAELP C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001316643828 1263390512 /nfs/dbraw/zinc/39/05/12/1263390512.db2.gz HOWNSBBYFCSYRV-BHYGNILZSA-N 2 2 371.489 0.807 10 0 FCAELP Cn1nc(C2CC2)nc1C[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001316671224 1263413008 /nfs/dbraw/zinc/41/30/08/1263413008.db2.gz NWDQZWDXOFOIHP-DZGCQCFKSA-N 2 2 357.462 0.964 10 0 FCAELP CCO[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001316686358 1263420295 /nfs/dbraw/zinc/42/02/95/1263420295.db2.gz LFYOZNCTQMZKDF-GDBMZVCRSA-N 2 2 363.462 0.028 10 0 FCAELP CCO[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001316686358 1263420298 /nfs/dbraw/zinc/42/02/98/1263420298.db2.gz LFYOZNCTQMZKDF-GDBMZVCRSA-N 2 2 363.462 0.028 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCCS(C)(=O)=O)CC[N@@H+]1C ZINC001480315268 1263427877 /nfs/dbraw/zinc/42/78/77/1263427877.db2.gz GEHIQRVEQAWHFW-BZUAXINKSA-N 2 2 359.536 0.732 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCCS(C)(=O)=O)CC[N@H+]1C ZINC001480315268 1263427879 /nfs/dbraw/zinc/42/78/79/1263427879.db2.gz GEHIQRVEQAWHFW-BZUAXINKSA-N 2 2 359.536 0.732 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2CCCS(C)(=O)=O)CC[NH+]1C ZINC001480315268 1263427882 /nfs/dbraw/zinc/42/78/82/1263427882.db2.gz GEHIQRVEQAWHFW-BZUAXINKSA-N 2 2 359.536 0.732 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CCCS(C)(=O)=O)CC[NH+]1C ZINC001480315268 1263427887 /nfs/dbraw/zinc/42/78/87/1263427887.db2.gz GEHIQRVEQAWHFW-BZUAXINKSA-N 2 2 359.536 0.732 10 0 FCAELP COCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001480618101 1263433046 /nfs/dbraw/zinc/43/30/46/1263433046.db2.gz VSBOTZSZHJWUIF-KSZLIROESA-N 2 2 369.506 0.483 10 0 FCAELP Cc1cc(NC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)no1 ZINC001480537383 1263433639 /nfs/dbraw/zinc/43/36/39/1263433639.db2.gz DECPQOCCOZUHBG-RAIGVLPGSA-N 2 2 360.418 0.553 10 0 FCAELP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H]1CC ZINC001316732588 1263439933 /nfs/dbraw/zinc/43/99/33/1263439933.db2.gz GDHUQWIUWCXHQO-RRFJBIMHSA-N 2 2 367.494 0.286 10 0 FCAELP CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H]1CC ZINC001316732588 1263439941 /nfs/dbraw/zinc/43/99/41/1263439941.db2.gz GDHUQWIUWCXHQO-RRFJBIMHSA-N 2 2 367.494 0.286 10 0 FCAELP CCNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@H]1CC ZINC001316732588 1263439943 /nfs/dbraw/zinc/43/99/43/1263439943.db2.gz GDHUQWIUWCXHQO-RRFJBIMHSA-N 2 2 367.494 0.286 10 0 FCAELP CCNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@H]1CC ZINC001316732588 1263439949 /nfs/dbraw/zinc/43/99/49/1263439949.db2.gz GDHUQWIUWCXHQO-RRFJBIMHSA-N 2 2 367.494 0.286 10 0 FCAELP C[C@@]1(C[NH2+]CCF)CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001484103927 1263453847 /nfs/dbraw/zinc/45/38/47/1263453847.db2.gz FKFDSDHJOSTOFH-RYRKJORJSA-N 2 2 357.470 0.664 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[NH+](Cc3cc4n(n3)CCC4)C2)CC[N@@H+]1C ZINC001484217217 1263459871 /nfs/dbraw/zinc/45/98/71/1263459871.db2.gz QGDQTCLHIVMXEV-BJZITVGISA-N 2 2 361.490 0.223 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[NH+](Cc3cc4n(n3)CCC4)C2)CC[N@H+]1C ZINC001484217217 1263459875 /nfs/dbraw/zinc/45/98/75/1263459875.db2.gz QGDQTCLHIVMXEV-BJZITVGISA-N 2 2 361.490 0.223 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[N@H+](Cc3cc4n(n3)CCC4)C2)CC[NH+]1C ZINC001484217217 1263459877 /nfs/dbraw/zinc/45/98/77/1263459877.db2.gz QGDQTCLHIVMXEV-BJZITVGISA-N 2 2 361.490 0.223 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](Cc3cc4n(n3)CCC4)C2)CC[NH+]1C ZINC001484217217 1263459880 /nfs/dbraw/zinc/45/98/80/1263459880.db2.gz QGDQTCLHIVMXEV-BJZITVGISA-N 2 2 361.490 0.223 10 0 FCAELP COc1cc(C[N@@H+]2CCC[C@](CO)(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)on1 ZINC001484434963 1263472291 /nfs/dbraw/zinc/47/22/91/1263472291.db2.gz NLKLLAGIYADAQM-SIIHOXLZSA-N 2 2 366.462 0.467 10 0 FCAELP COc1cc(C[N@H+]2CCC[C@](CO)(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)on1 ZINC001484434963 1263472296 /nfs/dbraw/zinc/47/22/96/1263472296.db2.gz NLKLLAGIYADAQM-SIIHOXLZSA-N 2 2 366.462 0.467 10 0 FCAELP COc1cc(C[NH+]2CCC[C@](CO)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)on1 ZINC001484434963 1263472299 /nfs/dbraw/zinc/47/22/99/1263472299.db2.gz NLKLLAGIYADAQM-SIIHOXLZSA-N 2 2 366.462 0.467 10 0 FCAELP COc1cc(C[NH+]2CCC[C@](CO)(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)on1 ZINC001484434963 1263472302 /nfs/dbraw/zinc/47/23/02/1263472302.db2.gz NLKLLAGIYADAQM-SIIHOXLZSA-N 2 2 366.462 0.467 10 0 FCAELP CC(C)CNC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001484434654 1263472831 /nfs/dbraw/zinc/47/28/31/1263472831.db2.gz LCXZQJRICZNDKT-MDZRGWNJSA-N 2 2 368.522 0.042 10 0 FCAELP CC(C)CNC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001484434654 1263472837 /nfs/dbraw/zinc/47/28/37/1263472837.db2.gz LCXZQJRICZNDKT-MDZRGWNJSA-N 2 2 368.522 0.042 10 0 FCAELP CC(C)CNC(=O)C[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001484434654 1263472843 /nfs/dbraw/zinc/47/28/43/1263472843.db2.gz LCXZQJRICZNDKT-MDZRGWNJSA-N 2 2 368.522 0.042 10 0 FCAELP CC(C)CNC(=O)C[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001484434654 1263472849 /nfs/dbraw/zinc/47/28/49/1263472849.db2.gz LCXZQJRICZNDKT-MDZRGWNJSA-N 2 2 368.522 0.042 10 0 FCAELP C[C@@H]([NH2+]CCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1cnccn1 ZINC001484494748 1263478007 /nfs/dbraw/zinc/47/80/07/1263478007.db2.gz NXLAUZMQHMDQMA-RBSFLKMASA-N 2 2 358.446 0.485 10 0 FCAELP C[C@H]([NH2+]CCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1cnccn1 ZINC001484494749 1263478604 /nfs/dbraw/zinc/47/86/04/1263478604.db2.gz NXLAUZMQHMDQMA-RRFJBIMHSA-N 2 2 358.446 0.485 10 0 FCAELP C[C@H](CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)[NH2+]CC1CCOCC1 ZINC001317252407 1263506303 /nfs/dbraw/zinc/50/63/03/1263506303.db2.gz APPVTPGRFCAFCQ-NXHRZFHOSA-N 2 2 369.506 0.387 10 0 FCAELP CN(CC1CC1)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001317306481 1263507674 /nfs/dbraw/zinc/50/76/74/1263507674.db2.gz YQYXRHNLWIFHTQ-ARFHVFGLSA-N 2 2 359.474 0.583 10 0 FCAELP CCN(CC)C(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001317528724 1263516265 /nfs/dbraw/zinc/51/62/65/1263516265.db2.gz JTBYDIUXHGDSKF-ARFHVFGLSA-N 2 2 361.490 0.830 10 0 FCAELP CCN(CC)C(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001317528724 1263516274 /nfs/dbraw/zinc/51/62/74/1263516274.db2.gz JTBYDIUXHGDSKF-ARFHVFGLSA-N 2 2 361.490 0.830 10 0 FCAELP CCN(CC)C(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001317528730 1263516922 /nfs/dbraw/zinc/51/69/22/1263516922.db2.gz JTBYDIUXHGDSKF-BZUAXINKSA-N 2 2 361.490 0.830 10 0 FCAELP CCN(CC)C(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001317528730 1263516925 /nfs/dbraw/zinc/51/69/25/1263516925.db2.gz JTBYDIUXHGDSKF-BZUAXINKSA-N 2 2 361.490 0.830 10 0 FCAELP C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CCCN1CCCC1=O ZINC001485924361 1263520125 /nfs/dbraw/zinc/52/01/25/1263520125.db2.gz ZMIUYWLQCKLVAK-ARFHVFGLSA-N 2 2 361.490 0.973 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ncc(Cl)n2C)CC[N@@H+]1C ZINC001485997524 1263522496 /nfs/dbraw/zinc/52/24/96/1263522496.db2.gz YUCIOGNUWUBRJN-RWMBFGLXSA-N 2 2 357.886 0.371 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ncc(Cl)n2C)CC[N@H+]1C ZINC001485997524 1263522506 /nfs/dbraw/zinc/52/25/06/1263522506.db2.gz YUCIOGNUWUBRJN-RWMBFGLXSA-N 2 2 357.886 0.371 10 0 FCAELP CC(C)N(CC[N@H+](C)[C@@H]1CCCNC1=O)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001486375641 1263536390 /nfs/dbraw/zinc/53/63/90/1263536390.db2.gz MNWPPQZNOLPFPQ-BZUAXINKSA-N 2 2 361.490 0.971 10 0 FCAELP CC(C)N(CC[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001486375641 1263536396 /nfs/dbraw/zinc/53/63/96/1263536396.db2.gz MNWPPQZNOLPFPQ-BZUAXINKSA-N 2 2 361.490 0.971 10 0 FCAELP COCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001486472596 1263538716 /nfs/dbraw/zinc/53/87/16/1263538716.db2.gz JJNBPZPSMFGURL-BACDZXNISA-N 2 2 355.479 0.092 10 0 FCAELP CS[C@H](C)C(=O)N1CC[NH+](CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001493131707 1263702021 /nfs/dbraw/zinc/70/20/21/1263702021.db2.gz USENFPSOYYACQZ-BZUAXINKSA-N 2 2 370.563 0.729 10 0 FCAELP CS[C@H](C)C(=O)N1CC[NH+](CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001493131707 1263702029 /nfs/dbraw/zinc/70/20/29/1263702029.db2.gz USENFPSOYYACQZ-BZUAXINKSA-N 2 2 370.563 0.729 10 0 FCAELP CC(C)N(C)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001493137998 1263704598 /nfs/dbraw/zinc/70/45/98/1263704598.db2.gz NUSAGWSYOXAQIV-ARFHVFGLSA-N 2 2 361.490 0.971 10 0 FCAELP CC(C)N(C)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001493137998 1263704602 /nfs/dbraw/zinc/70/46/02/1263704602.db2.gz NUSAGWSYOXAQIV-ARFHVFGLSA-N 2 2 361.490 0.971 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1([NH2+][C@H]2CCCNC2=O)CCCC1 ZINC001495944786 1263847785 /nfs/dbraw/zinc/84/77/85/1263847785.db2.gz XHVDRTFNOJRBPL-KFWWJZLASA-N 2 2 359.474 0.821 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(Cl)n1 ZINC001497059202 1263914243 /nfs/dbraw/zinc/91/42/43/1263914243.db2.gz WUCXUIHGJVKIKS-BFHYXJOUSA-N 2 2 363.849 0.839 10 0 FCAELP O=C(NC/C=C\C[NH2+]C[C@H]1CCS(=O)(=O)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001497601316 1263940910 /nfs/dbraw/zinc/94/09/10/1263940910.db2.gz KJXKDRVTSUITOQ-SHVYAEHCSA-N 2 2 352.460 0.210 10 0 FCAELP O=C(NC/C=C\C[NH2+]C[C@H]1CCS(=O)(=O)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001497601316 1263940918 /nfs/dbraw/zinc/94/09/18/1263940918.db2.gz KJXKDRVTSUITOQ-SHVYAEHCSA-N 2 2 352.460 0.210 10 0 FCAELP C[C@H](NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1)C1CC1 ZINC001499351908 1264026011 /nfs/dbraw/zinc/02/60/11/1264026011.db2.gz QMRUOFRLBMVACN-NWANDNLSSA-N 2 2 359.474 0.677 10 0 FCAELP CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CCCC1 ZINC001500110317 1264055757 /nfs/dbraw/zinc/05/57/57/1264055757.db2.gz IIGSNDHHRQZNSR-BZUAXINKSA-N 2 2 361.490 0.924 10 0 FCAELP CCOCC[NH+]1CC(O)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001500927051 1264098577 /nfs/dbraw/zinc/09/85/77/1264098577.db2.gz QMVRVSXILAJDOJ-MSOLQXFVSA-N 2 2 361.486 0.531 10 0 FCAELP CCOCC[NH+]1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001500927051 1264098585 /nfs/dbraw/zinc/09/85/85/1264098585.db2.gz QMVRVSXILAJDOJ-MSOLQXFVSA-N 2 2 361.486 0.531 10 0 FCAELP C[C@@H]1COCC[C@H]1NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001321963139 1264113538 /nfs/dbraw/zinc/11/35/38/1264113538.db2.gz HDRBEZYOLQVHHK-RHSMWYFYSA-N 2 2 366.506 0.202 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@@H]2COC3(C[NH+](CCOCC4CC4)C3)C2)CC[N@@H+]1C ZINC001502457974 1264173376 /nfs/dbraw/zinc/17/33/76/1264173376.db2.gz OHCKDNTYGDUIQU-HYVNUMGLSA-N 2 2 351.491 0.713 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@@H]2COC3(C[NH+](CCOCC4CC4)C3)C2)CC[N@H+]1C ZINC001502457974 1264173381 /nfs/dbraw/zinc/17/33/81/1264173381.db2.gz OHCKDNTYGDUIQU-HYVNUMGLSA-N 2 2 351.491 0.713 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CCC(C)(C)O3)C2)CC1 ZINC001322780824 1264264652 /nfs/dbraw/zinc/26/46/52/1264264652.db2.gz MDEGSGTTWOSBOM-ZBFHGGJFSA-N 2 2 366.506 0.345 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CCC(C)(C)O3)C2)CC1 ZINC001322780824 1264264657 /nfs/dbraw/zinc/26/46/57/1264264657.db2.gz MDEGSGTTWOSBOM-ZBFHGGJFSA-N 2 2 366.506 0.345 10 0 FCAELP CC[NH+](CC)CC(=O)N1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001506494171 1264324179 /nfs/dbraw/zinc/32/41/79/1264324179.db2.gz QFTRBARZPISNSZ-CLCXKQKWSA-N 2 2 361.490 0.973 10 0 FCAELP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001512957026 1264773687 /nfs/dbraw/zinc/77/36/87/1264773687.db2.gz ZQEXKSVLNXULSM-NWANDNLSSA-N 2 2 365.478 0.007 10 0 FCAELP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001512957026 1264773696 /nfs/dbraw/zinc/77/36/96/1264773696.db2.gz ZQEXKSVLNXULSM-NWANDNLSSA-N 2 2 365.478 0.007 10 0 FCAELP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001512957026 1264773703 /nfs/dbraw/zinc/77/37/03/1264773703.db2.gz ZQEXKSVLNXULSM-NWANDNLSSA-N 2 2 365.478 0.007 10 0 FCAELP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001512957026 1264773707 /nfs/dbraw/zinc/77/37/07/1264773707.db2.gz ZQEXKSVLNXULSM-NWANDNLSSA-N 2 2 365.478 0.007 10 0 FCAELP CO[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001513421204 1265112832 /nfs/dbraw/zinc/11/28/32/1265112832.db2.gz FPXNWAZBKPOTKY-RRFJBIMHSA-N 2 2 351.451 0.128 10 0 FCAELP C[C@H]([NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCOCC1)C(=O)N(C)C ZINC001327638396 1265382179 /nfs/dbraw/zinc/38/21/79/1265382179.db2.gz IITFQQZNJORYGM-BFHYXJOUSA-N 2 2 363.462 0.245 10 0 FCAELP C[C@H]([NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCOCC1)C(=O)N(C)C ZINC001327638396 1265382189 /nfs/dbraw/zinc/38/21/89/1265382189.db2.gz IITFQQZNJORYGM-BFHYXJOUSA-N 2 2 363.462 0.245 10 0 FCAELP Cc1cc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)ncn1 ZINC001332576068 1266433915 /nfs/dbraw/zinc/43/39/15/1266433915.db2.gz WVMSCCWOYQYQTH-ARFHVFGLSA-N 2 2 358.446 0.231 10 0 FCAELP C[C@@H]1[C@H](C(=O)N(C)CCCNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@@H+]1C ZINC001523506220 1266635010 /nfs/dbraw/zinc/63/50/10/1266635010.db2.gz SFFQODKPQJCCFE-HLLBOEOZSA-N 2 2 361.490 0.750 10 0 FCAELP C[C@@H]1[C@H](C(=O)N(C)CCCNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@H+]1C ZINC001523506220 1266635019 /nfs/dbraw/zinc/63/50/19/1266635019.db2.gz SFFQODKPQJCCFE-HLLBOEOZSA-N 2 2 361.490 0.750 10 0 FCAELP C[C@@H]1[C@H](C(=O)N2CCC[C@H](CN(C)C(=O)Cc3c[nH+]c[nH]3)C2)CC[N@@H+]1C ZINC001524566253 1266716466 /nfs/dbraw/zinc/71/64/66/1266716466.db2.gz DKCZBLPGHIJPEI-BFYDXBDKSA-N 2 2 361.490 0.989 10 0 FCAELP C[C@@H]1[C@H](C(=O)N2CCC[C@H](CN(C)C(=O)Cc3c[nH+]c[nH]3)C2)CC[N@H+]1C ZINC001524566253 1266716473 /nfs/dbraw/zinc/71/64/73/1266716473.db2.gz DKCZBLPGHIJPEI-BFYDXBDKSA-N 2 2 361.490 0.989 10 0 FCAELP CC[N@H+](C)CCC(=O)N1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001529430755 1267061229 /nfs/dbraw/zinc/06/12/29/1267061229.db2.gz UWJUJQXIJQXGLS-ARFHVFGLSA-N 2 2 361.490 0.973 10 0 FCAELP CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001529430755 1267061237 /nfs/dbraw/zinc/06/12/37/1267061237.db2.gz UWJUJQXIJQXGLS-ARFHVFGLSA-N 2 2 361.490 0.973 10 0 FCAELP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)CCc1c[nH+]cn1C ZINC001532753296 1267183476 /nfs/dbraw/zinc/18/34/76/1267183476.db2.gz WXGAVKPWONLJQB-OIISXLGYSA-N 2 2 363.506 0.950 10 0 FCAELP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)CCc1c[nH+]cn1C ZINC001532753296 1267183479 /nfs/dbraw/zinc/18/34/79/1267183479.db2.gz WXGAVKPWONLJQB-OIISXLGYSA-N 2 2 363.506 0.950 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC/C=C/CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1C ZINC001533522579 1267222079 /nfs/dbraw/zinc/22/20/79/1267222079.db2.gz CWDRPLWBYWTTOY-FSPKCKTGSA-N 2 2 359.474 0.574 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC/C=C/CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@H+]1C ZINC001533522579 1267222089 /nfs/dbraw/zinc/22/20/89/1267222089.db2.gz CWDRPLWBYWTTOY-FSPKCKTGSA-N 2 2 359.474 0.574 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC/C=C\CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1C ZINC001533522617 1267222754 /nfs/dbraw/zinc/22/27/54/1267222754.db2.gz CWDRPLWBYWTTOY-TZGBVXRMSA-N 2 2 359.474 0.574 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC/C=C\CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@H+]1C ZINC001533522617 1267222760 /nfs/dbraw/zinc/22/27/60/1267222760.db2.gz CWDRPLWBYWTTOY-TZGBVXRMSA-N 2 2 359.474 0.574 10 0 FCAELP Cn1nnc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C(F)(F)F ZINC001334918186 1267230666 /nfs/dbraw/zinc/23/06/66/1267230666.db2.gz ILGUPWLHTSSRMM-JTQLQIEISA-N 2 2 360.384 0.732 10 0 FCAELP Cn1nnc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C(F)(F)F ZINC001334918186 1267230674 /nfs/dbraw/zinc/23/06/74/1267230674.db2.gz ILGUPWLHTSSRMM-JTQLQIEISA-N 2 2 360.384 0.732 10 0 FCAELP C[C@@H]1C[C@H](NC(=O)C(=O)NCc2nc(C[NH+](C)C)cs2)CC[N@@H+]1C ZINC001340694689 1268626158 /nfs/dbraw/zinc/62/61/58/1268626158.db2.gz RKPFJOVLEFXDHV-VXGBXAGGSA-N 2 2 353.492 0.420 10 0 FCAELP C[C@@H]1C[C@H](NC(=O)C(=O)NCc2nc(C[NH+](C)C)cs2)CC[N@H+]1C ZINC001340694689 1268626166 /nfs/dbraw/zinc/62/61/66/1268626166.db2.gz RKPFJOVLEFXDHV-VXGBXAGGSA-N 2 2 353.492 0.420 10 0 FCAELP CC(C)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001342134214 1269363662 /nfs/dbraw/zinc/36/36/62/1269363662.db2.gz FRRSYXCBULMRII-CVEARBPZSA-N 2 2 350.507 0.776 10 0 FCAELP CC(C)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001342134214 1269363672 /nfs/dbraw/zinc/36/36/72/1269363672.db2.gz FRRSYXCBULMRII-CVEARBPZSA-N 2 2 350.507 0.776 10 0 FCAELP COCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1c1cnn(C)c1 ZINC001565928870 1269523467 /nfs/dbraw/zinc/52/34/67/1269523467.db2.gz IRUZAJOKANREAX-DLBZAZTESA-N 2 2 360.462 0.627 10 0 FCAELP CCOCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1CC ZINC001566019626 1269557975 /nfs/dbraw/zinc/55/79/75/1269557975.db2.gz WMISWZMZNFMWAD-ARFHVFGLSA-N 2 2 354.495 0.202 10 0 FCAELP CCOCCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1CC ZINC001566019626 1269557982 /nfs/dbraw/zinc/55/79/82/1269557982.db2.gz WMISWZMZNFMWAD-ARFHVFGLSA-N 2 2 354.495 0.202 10 0 FCAELP CCOCCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H]1CC ZINC001566019626 1269557986 /nfs/dbraw/zinc/55/79/86/1269557986.db2.gz WMISWZMZNFMWAD-ARFHVFGLSA-N 2 2 354.495 0.202 10 0 FCAELP CCOCCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H]1CC ZINC001566019626 1269557993 /nfs/dbraw/zinc/55/79/93/1269557993.db2.gz WMISWZMZNFMWAD-ARFHVFGLSA-N 2 2 354.495 0.202 10 0 FCAELP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](Cc3nc(N(C)C)no3)CC[C@@H]2C1 ZINC001566054460 1269588809 /nfs/dbraw/zinc/58/88/09/1269588809.db2.gz BGCKYWLYHGLGKJ-CABCVRRESA-N 2 2 364.494 0.756 10 0 FCAELP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](Cc3nc(N(C)C)no3)CC[C@@H]2C1 ZINC001566054460 1269588811 /nfs/dbraw/zinc/58/88/11/1269588811.db2.gz BGCKYWLYHGLGKJ-CABCVRRESA-N 2 2 364.494 0.756 10 0 FCAELP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3nc(N(C)C)no3)CC[C@@H]2C1 ZINC001566054460 1269588814 /nfs/dbraw/zinc/58/88/14/1269588814.db2.gz BGCKYWLYHGLGKJ-CABCVRRESA-N 2 2 364.494 0.756 10 0 FCAELP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](Cc3nc(N(C)C)no3)CC[C@@H]2C1 ZINC001566054460 1269588821 /nfs/dbraw/zinc/58/88/21/1269588821.db2.gz BGCKYWLYHGLGKJ-CABCVRRESA-N 2 2 364.494 0.756 10 0 FCAELP CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@H]2C1 ZINC001566054168 1269588867 /nfs/dbraw/zinc/58/88/67/1269588867.db2.gz PFZVFKHTFFIMEI-IKGGRYGDSA-N 2 2 366.506 0.014 10 0 FCAELP CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@H]2C1 ZINC001566054168 1269588872 /nfs/dbraw/zinc/58/88/72/1269588872.db2.gz PFZVFKHTFFIMEI-IKGGRYGDSA-N 2 2 366.506 0.014 10 0 FCAELP CCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@@H]2C1 ZINC001566054168 1269588878 /nfs/dbraw/zinc/58/88/78/1269588878.db2.gz PFZVFKHTFFIMEI-IKGGRYGDSA-N 2 2 366.506 0.014 10 0 FCAELP CCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@@H]2C1 ZINC001566054168 1269588881 /nfs/dbraw/zinc/58/88/81/1269588881.db2.gz PFZVFKHTFFIMEI-IKGGRYGDSA-N 2 2 366.506 0.014 10 0 FCAELP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](Cc3nnnn3C3CC3)CC[C@@H]2C1 ZINC001566054893 1269590848 /nfs/dbraw/zinc/59/08/48/1269590848.db2.gz KANQDLKUUQTBRG-CABCVRRESA-N 2 2 361.494 0.629 10 0 FCAELP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](Cc3nnnn3C3CC3)CC[C@@H]2C1 ZINC001566054893 1269590850 /nfs/dbraw/zinc/59/08/50/1269590850.db2.gz KANQDLKUUQTBRG-CABCVRRESA-N 2 2 361.494 0.629 10 0 FCAELP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3nnnn3C3CC3)CC[C@@H]2C1 ZINC001566054893 1269590855 /nfs/dbraw/zinc/59/08/55/1269590855.db2.gz KANQDLKUUQTBRG-CABCVRRESA-N 2 2 361.494 0.629 10 0 FCAELP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](Cc3nnnn3C3CC3)CC[C@@H]2C1 ZINC001566054893 1269590860 /nfs/dbraw/zinc/59/08/60/1269590860.db2.gz KANQDLKUUQTBRG-CABCVRRESA-N 2 2 361.494 0.629 10 0 FCAELP C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC[C@H]1CCS(=O)(=O)C1 ZINC001566463215 1269646493 /nfs/dbraw/zinc/64/64/93/1269646493.db2.gz PDNJRXKYGBOKKO-RRFJBIMHSA-N 2 2 368.503 0.776 10 0 FCAELP C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC[C@H]1CCS(=O)(=O)C1 ZINC001566463215 1269646504 /nfs/dbraw/zinc/64/65/04/1269646504.db2.gz PDNJRXKYGBOKKO-RRFJBIMHSA-N 2 2 368.503 0.776 10 0 FCAELP C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC[C@H]1CCS(=O)(=O)C1 ZINC001566463215 1269646510 /nfs/dbraw/zinc/64/65/10/1269646510.db2.gz PDNJRXKYGBOKKO-RRFJBIMHSA-N 2 2 368.503 0.776 10 0 FCAELP C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC[C@H]1CCS(=O)(=O)C1 ZINC001566463215 1269646519 /nfs/dbraw/zinc/64/65/19/1269646519.db2.gz PDNJRXKYGBOKKO-RRFJBIMHSA-N 2 2 368.503 0.776 10 0 FCAELP CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001342891247 1269666588 /nfs/dbraw/zinc/66/65/88/1269666588.db2.gz SGFXAUCJJZKGHQ-ARFHVFGLSA-N 2 2 365.478 0.518 10 0 FCAELP CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001342891247 1269666597 /nfs/dbraw/zinc/66/65/97/1269666597.db2.gz SGFXAUCJJZKGHQ-ARFHVFGLSA-N 2 2 365.478 0.518 10 0 FCAELP COCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001567196009 1269681464 /nfs/dbraw/zinc/68/14/64/1269681464.db2.gz VLGZECJZOPKEIV-KSZLIROESA-N 2 2 369.506 0.435 10 0 FCAELP COCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001567196009 1269681466 /nfs/dbraw/zinc/68/14/66/1269681466.db2.gz VLGZECJZOPKEIV-KSZLIROESA-N 2 2 369.506 0.435 10 0 FCAELP CO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001342955837 1269700385 /nfs/dbraw/zinc/70/03/85/1269700385.db2.gz NWLFBJVVJHOGBC-HZPDHXFCSA-N 2 2 363.462 0.101 10 0 FCAELP COCc1noc([C@@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001568852592 1269750723 /nfs/dbraw/zinc/75/07/23/1269750723.db2.gz XGQHHJIJZCYMID-LHHWMGCDSA-N 2 2 351.451 0.879 10 0 FCAELP COCc1noc([C@@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001568852592 1269750731 /nfs/dbraw/zinc/75/07/31/1269750731.db2.gz XGQHHJIJZCYMID-LHHWMGCDSA-N 2 2 351.451 0.879 10 0 FCAELP COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)nn1 ZINC001569240729 1269770820 /nfs/dbraw/zinc/77/08/20/1269770820.db2.gz GADGDKXVJYKALC-HUUCEWRRSA-N 2 2 358.446 0.961 10 0 FCAELP CCC1([NH2+]CC(=O)N(C)C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001570261076 1269857279 /nfs/dbraw/zinc/85/72/79/1269857279.db2.gz WOAISENHWMDTHI-HUUCEWRRSA-N 2 2 361.490 0.973 10 0 FCAELP 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C[NH+](C)[C@]1(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)COc2ccccc2C1 ZINC001627864955 1290490595 /nfs/dbraw/zinc/49/05/95/1290490595.db2.gz DJIOLCHCXIEKFZ-XLIONFOSSA-N 2 2 361.486 0.885 10 0 FCAELP C[NH+](C)[C@]1(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)COc2ccccc2C1 ZINC001627864955 1290490597 /nfs/dbraw/zinc/49/05/97/1290490597.db2.gz DJIOLCHCXIEKFZ-XLIONFOSSA-N 2 2 361.486 0.885 10 0 FCAELP COCC[N@@H+]1CC[C@H](NC(=O)c2ccc(CN3CC[NH+](C)CC3)s2)C1 ZINC001629356337 1290595105 /nfs/dbraw/zinc/59/51/05/1290595105.db2.gz DIYRKENDKXYNNO-HNNXBMFYSA-N 2 2 366.531 0.946 10 0 FCAELP COCC[N@H+]1CC[C@H](NC(=O)c2ccc(CN3CC[NH+](C)CC3)s2)C1 ZINC001629356337 1290595114 /nfs/dbraw/zinc/59/51/14/1290595114.db2.gz DIYRKENDKXYNNO-HNNXBMFYSA-N 2 2 366.531 0.946 10 0 FCAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@@]2(CCOC2=O)C1 ZINC001655137662 1291458010 /nfs/dbraw/zinc/45/80/10/1291458010.db2.gz MQJBMPOYZGURGV-HNAYVOBHSA-N 2 2 358.442 0.758 10 0 FCAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@@]2(CCOC2=O)C1 ZINC001655137662 1291458011 /nfs/dbraw/zinc/45/80/11/1291458011.db2.gz MQJBMPOYZGURGV-HNAYVOBHSA-N 2 2 358.442 0.758 10 0 FCAELP COCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001656081184 1291497158 /nfs/dbraw/zinc/49/71/58/1291497158.db2.gz WERXCIGTFFGOIF-KURKYZTESA-N 2 2 369.506 0.435 10 0 FCAELP COCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001656081184 1291497164 /nfs/dbraw/zinc/49/71/64/1291497164.db2.gz WERXCIGTFFGOIF-KURKYZTESA-N 2 2 369.506 0.435 10 0 FCAELP CCO[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C[NH2+]CCOC ZINC001656478438 1291530180 /nfs/dbraw/zinc/53/01/80/1291530180.db2.gz QRODNYNLPQUASH-ARFHVFGLSA-N 2 2 350.463 0.545 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CC(=O)N(CC)C1CC1 ZINC001656697072 1291554180 /nfs/dbraw/zinc/55/41/80/1291554180.db2.gz RIDJCRQNTIIBMC-GVDBMIGSSA-N 2 2 366.506 0.297 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1CC(=O)N(CC)C1CC1 ZINC001656697072 1291554186 /nfs/dbraw/zinc/55/41/86/1291554186.db2.gz RIDJCRQNTIIBMC-GVDBMIGSSA-N 2 2 366.506 0.297 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1CC(=O)N(CC)C1CC1 ZINC001656697072 1291554189 /nfs/dbraw/zinc/55/41/89/1291554189.db2.gz RIDJCRQNTIIBMC-GVDBMIGSSA-N 2 2 366.506 0.297 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CC(=O)N(CC)C1CC1 ZINC001656697072 1291554195 /nfs/dbraw/zinc/55/41/95/1291554195.db2.gz RIDJCRQNTIIBMC-GVDBMIGSSA-N 2 2 366.506 0.297 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)CC[N@@H+]1Cc1cnns1 ZINC001656759816 1291561092 /nfs/dbraw/zinc/56/10/92/1291561092.db2.gz SPZIGIBHHBTKQB-VNQPRFMTSA-N 2 2 367.519 0.976 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)CC[N@H+]1Cc1cnns1 ZINC001656759816 1291561094 /nfs/dbraw/zinc/56/10/94/1291561094.db2.gz SPZIGIBHHBTKQB-VNQPRFMTSA-N 2 2 367.519 0.976 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCS(C)(=O)=O)C1 ZINC001662685330 1291731292 /nfs/dbraw/zinc/73/12/92/1291731292.db2.gz HNWILEDDNXIFDU-RBSFLKMASA-N 2 2 368.503 0.396 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1nc2ccccc2o1 ZINC001667894388 1291948247 /nfs/dbraw/zinc/94/82/47/1291948247.db2.gz SBZTWYPODKIWCO-MGPQQGTHSA-N 2 2 369.425 0.932 10 0 FCAELP CCN(CC[NH2+]C[C@H]1CCc2ncnn21)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001668557610 1291969950 /nfs/dbraw/zinc/96/99/50/1291969950.db2.gz IQJMCQSWSUVISM-RBSFLKMASA-N 2 2 357.462 0.741 10 0 FCAELP CN(C(=O)C[NH2+][C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1(C)C)C1CC1 ZINC001677003968 1292222252 /nfs/dbraw/zinc/22/22/52/1292222252.db2.gz MRKAVNVKWBPKHK-FMKPAKJESA-N 2 2 359.474 0.961 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001685321825 1292499847 /nfs/dbraw/zinc/49/98/47/1292499847.db2.gz XKPFLWNXSOOHMV-WBVHZDCISA-N 2 2 361.490 0.944 10 0 FCAELP C[N@@H+]1CC[C@H](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2c[nH]c[nH+]2)C3)C1 ZINC001686190299 1292813652 /nfs/dbraw/zinc/81/36/52/1292813652.db2.gz YCDXYOWZIWTGRQ-DZUCGIPZSA-N 2 2 359.474 0.932 10 0 FCAELP C[N@H+]1CC[C@H](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2c[nH]c[nH+]2)C3)C1 ZINC001686190299 1292813670 /nfs/dbraw/zinc/81/36/70/1292813670.db2.gz YCDXYOWZIWTGRQ-DZUCGIPZSA-N 2 2 359.474 0.932 10 0 FCAELP C[N@@H+]1CC[C@H](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2c[nH+]c[nH]2)C3)C1 ZINC001686190299 1292813685 /nfs/dbraw/zinc/81/36/85/1292813685.db2.gz YCDXYOWZIWTGRQ-DZUCGIPZSA-N 2 2 359.474 0.932 10 0 FCAELP C[N@H+]1CC[C@H](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2c[nH+]c[nH]2)C3)C1 ZINC001686190299 1292813705 /nfs/dbraw/zinc/81/37/05/1292813705.db2.gz YCDXYOWZIWTGRQ-DZUCGIPZSA-N 2 2 359.474 0.932 10 0 FCAELP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1c[nH+]cn1C)[NH+](C)C ZINC001686224126 1292834601 /nfs/dbraw/zinc/83/46/01/1292834601.db2.gz OERZDCKQUKVFMK-KBEGMRNHSA-N 2 2 361.490 0.797 10 0 FCAELP CN(C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC001686254109 1292856684 /nfs/dbraw/zinc/85/66/84/1292856684.db2.gz OTLDVKSZRNONJP-HOTGVXAUSA-N 2 2 353.511 0.127 10 0 FCAELP CN(C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@H]1CC[N@H+]2CCO[C@H]1C2 ZINC001686254109 1292856694 /nfs/dbraw/zinc/85/66/94/1292856694.db2.gz OTLDVKSZRNONJP-HOTGVXAUSA-N 2 2 353.511 0.127 10 0 FCAELP CN(C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC001686254109 1292856716 /nfs/dbraw/zinc/85/67/16/1292856716.db2.gz OTLDVKSZRNONJP-HOTGVXAUSA-N 2 2 353.511 0.127 10 0 FCAELP C[C@H](NC(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001123693449 848624741 /nfs/dbraw/zinc/62/47/41/848624741.db2.gz AICRLZUJUGTYJC-ATIWLJMLSA-N 2 2 351.539 0.992 10 0 FCAELP C[C@H](NC(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1)[C@@H]1CN(C)CC[N@H+]1C ZINC001123693449 848624742 /nfs/dbraw/zinc/62/47/42/848624742.db2.gz AICRLZUJUGTYJC-ATIWLJMLSA-N 2 2 351.539 0.992 10 0 FCAELP Cn1c[nH+]cc1[C@@H](CO)NC(=O)Cc1csc(SCC[NH+](C)C)n1 ZINC001168349499 850583861 /nfs/dbraw/zinc/58/38/61/850583861.db2.gz NJFUTOMPDDGVPS-GFCCVEGCSA-N 2 2 369.516 0.923 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@@H](n1cncn1)C(F)(F)F ZINC001234454481 857406362 /nfs/dbraw/zinc/40/63/62/857406362.db2.gz APMTYUAHFGLRLD-GFCCVEGCSA-N 2 2 365.404 0.564 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@@H](n1cncn1)C(F)(F)F ZINC001234454481 857406365 /nfs/dbraw/zinc/40/63/65/857406365.db2.gz APMTYUAHFGLRLD-GFCCVEGCSA-N 2 2 365.404 0.564 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[C@H]2C[NH+](C)C[C@H]21 ZINC001263782265 859211863 /nfs/dbraw/zinc/21/18/63/859211863.db2.gz BUCNUHNSTODRRB-CGTJXYLNSA-N 3 2 351.539 0.994 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[C@H]2C[NH+](C)C[C@H]21 ZINC001263782265 859211875 /nfs/dbraw/zinc/21/18/75/859211875.db2.gz BUCNUHNSTODRRB-CGTJXYLNSA-N 3 2 351.539 0.994 10 0 FCAELP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001263782265 859211887 /nfs/dbraw/zinc/21/18/87/859211887.db2.gz BUCNUHNSTODRRB-CGTJXYLNSA-N 3 2 351.539 0.994 10 0 FCAELP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001263782265 859211902 /nfs/dbraw/zinc/21/19/02/859211902.db2.gz BUCNUHNSTODRRB-CGTJXYLNSA-N 3 2 351.539 0.994 10 0 FCAELP COc1cc[nH+]cc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001263906259 859233204 /nfs/dbraw/zinc/23/32/04/859233204.db2.gz DKWNSEGWWBANIO-DZGCQCFKSA-N 2 2 369.487 0.552 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC3(CS(C)(=O)=O)CC3)[C@@H]2C)CC[N@@H+]1C ZINC001264141729 859322715 /nfs/dbraw/zinc/32/27/15/859322715.db2.gz FWURWMDSUHCRMZ-FPCVCCKLSA-N 2 2 371.547 0.730 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC3(CS(C)(=O)=O)CC3)[C@@H]2C)CC[N@H+]1C ZINC001264141729 859322722 /nfs/dbraw/zinc/32/27/22/859322722.db2.gz FWURWMDSUHCRMZ-FPCVCCKLSA-N 2 2 371.547 0.730 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CC3(CS(C)(=O)=O)CC3)[C@@H]2C)CC[NH+]1C ZINC001264141729 859322733 /nfs/dbraw/zinc/32/27/33/859322733.db2.gz FWURWMDSUHCRMZ-FPCVCCKLSA-N 2 2 371.547 0.730 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CC3(CS(C)(=O)=O)CC3)[C@@H]2C)CC[NH+]1C ZINC001264141729 859322741 /nfs/dbraw/zinc/32/27/41/859322741.db2.gz FWURWMDSUHCRMZ-FPCVCCKLSA-N 2 2 371.547 0.730 10 0 FCAELP CCOCCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001266217566 859473461 /nfs/dbraw/zinc/47/34/61/859473461.db2.gz CLNFXQUJQBPIPA-OWCLPIDISA-N 2 2 354.495 0.060 10 0 FCAELP CCOCCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001266217566 859473464 /nfs/dbraw/zinc/47/34/64/859473464.db2.gz CLNFXQUJQBPIPA-OWCLPIDISA-N 2 2 354.495 0.060 10 0 FCAELP CCOCCNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001266217566 859473472 /nfs/dbraw/zinc/47/34/72/859473472.db2.gz CLNFXQUJQBPIPA-OWCLPIDISA-N 2 2 354.495 0.060 10 0 FCAELP CCOCCNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001266217566 859473477 /nfs/dbraw/zinc/47/34/77/859473477.db2.gz CLNFXQUJQBPIPA-OWCLPIDISA-N 2 2 354.495 0.060 10 0 FCAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[NH2+]CC(=O)Nc1nncs1 ZINC001267993392 859520963 /nfs/dbraw/zinc/52/09/63/859520963.db2.gz VJTRCPYYCWIECE-GMTAPVOTSA-N 2 2 363.447 0.345 10 0 FCAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[NH2+]CC(=O)Nc1nncs1 ZINC001267993392 859520969 /nfs/dbraw/zinc/52/09/69/859520969.db2.gz VJTRCPYYCWIECE-GMTAPVOTSA-N 2 2 363.447 0.345 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc2nc(N(C)C)no2)CC[N@@H+]1C ZINC001268062501 859522956 /nfs/dbraw/zinc/52/29/56/859522956.db2.gz AUAVWULZLJMOLH-HZSPNIEDSA-N 2 2 352.483 0.802 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc2nc(N(C)C)no2)CC[N@H+]1C ZINC001268062501 859522959 /nfs/dbraw/zinc/52/29/59/859522959.db2.gz AUAVWULZLJMOLH-HZSPNIEDSA-N 2 2 352.483 0.802 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nc(C(F)F)no2)CC[N@@H+]1C ZINC001268307375 859528285 /nfs/dbraw/zinc/52/82/85/859528285.db2.gz HRIHZHYQPGHMBJ-GARJFASQSA-N 2 2 361.393 0.304 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nc(C(F)F)no2)CC[N@H+]1C ZINC001268307375 859528289 /nfs/dbraw/zinc/52/82/89/859528289.db2.gz HRIHZHYQPGHMBJ-GARJFASQSA-N 2 2 361.393 0.304 10 0 FCAELP CS(=O)(=O)CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001271544586 859965968 /nfs/dbraw/zinc/96/59/68/859965968.db2.gz SIWKXZYUOVPXIO-RRFJBIMHSA-N 2 2 368.503 0.919 10 0 FCAELP CS(=O)(=O)CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001271544586 859965970 /nfs/dbraw/zinc/96/59/70/859965970.db2.gz SIWKXZYUOVPXIO-RRFJBIMHSA-N 2 2 368.503 0.919 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@](CO)([NH2+]Cc3csnn3)C2)CC[N@@H+]1C ZINC001273876846 860624728 /nfs/dbraw/zinc/62/47/28/860624728.db2.gz ROJBTFABQBPJCV-ZMSDIMECSA-N 2 2 367.519 0.712 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@](CO)([NH2+]Cc3csnn3)C2)CC[N@H+]1C ZINC001273876846 860624732 /nfs/dbraw/zinc/62/47/32/860624732.db2.gz ROJBTFABQBPJCV-ZMSDIMECSA-N 2 2 367.519 0.712 10 0 FCAELP 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209227299 /nfs/dbraw/zinc/22/72/99/209227299.db2.gz HHHLYUMYTRELDC-UYAOXDASSA-N 2 2 361.486 0.539 10 0 FCAELP C[N@@H+](C[C@@H](O)CN1CCCC1=O)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188292585 209227302 /nfs/dbraw/zinc/22/73/02/209227302.db2.gz HHHLYUMYTRELDC-UYAOXDASSA-N 2 2 361.486 0.539 10 0 FCAELP C[NH+](C[C@@H](O)CN1CCCC1=O)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188292585 209227305 /nfs/dbraw/zinc/22/73/05/209227305.db2.gz HHHLYUMYTRELDC-UYAOXDASSA-N 2 2 361.486 0.539 10 0 FCAELP C[NH+](C[C@@H](O)CN1CCCC1=O)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188292585 209227308 /nfs/dbraw/zinc/22/73/08/209227308.db2.gz HHHLYUMYTRELDC-UYAOXDASSA-N 2 2 361.486 0.539 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](C)C[C@H]2C(N)=O)C1 ZINC000187428139 209212174 /nfs/dbraw/zinc/21/21/74/209212174.db2.gz JNXNRYCAIBISSX-XHSDSOJGSA-N 2 2 354.495 0.045 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](C)C[C@H]2C(N)=O)C1 ZINC000187428139 209212178 /nfs/dbraw/zinc/21/21/78/209212178.db2.gz JNXNRYCAIBISSX-XHSDSOJGSA-N 2 2 354.495 0.045 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C[C@H]2C(N)=O)C1 ZINC000187428139 209212181 /nfs/dbraw/zinc/21/21/81/209212181.db2.gz JNXNRYCAIBISSX-XHSDSOJGSA-N 2 2 354.495 0.045 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C[C@H]2C(N)=O)C1 ZINC000187428139 209212185 /nfs/dbraw/zinc/21/21/85/209212185.db2.gz JNXNRYCAIBISSX-XHSDSOJGSA-N 2 2 354.495 0.045 10 0 FCAELP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186530991 209192539 /nfs/dbraw/zinc/19/25/39/209192539.db2.gz GCRYGXXAULCGBM-QGZVFWFLSA-N 2 2 360.506 0.939 10 0 FCAELP CCn1nccc1CC[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000276344068 212215727 /nfs/dbraw/zinc/21/57/27/212215727.db2.gz URHUZUMNNWUJJX-UHFFFAOYSA-N 2 2 371.489 0.894 10 0 FCAELP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cc1 ZINC000415043051 245342353 /nfs/dbraw/zinc/34/23/53/245342353.db2.gz AAAMXQYDTUOEII-UHFFFAOYSA-N 2 2 368.441 0.792 10 0 FCAELP O=C(Nc1ccc2c(c1)C[NH2+]C2)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000415127818 245351064 /nfs/dbraw/zinc/35/10/64/245351064.db2.gz RQSGMVFNGKUVDS-GOSISDBHSA-N 2 2 372.469 0.942 10 0 FCAELP C[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(=O)NCCF ZINC000374351818 217120734 /nfs/dbraw/zinc/12/07/34/217120734.db2.gz NMEHQLOXWZJEKG-HNNXBMFYSA-N 2 2 371.501 0.710 10 0 FCAELP C[C@@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC(=O)N1C ZINC000374493295 217135959 /nfs/dbraw/zinc/13/59/59/217135959.db2.gz WUPFHEPDUBPDDI-CQSZACIVSA-N 2 2 351.495 0.417 10 0 FCAELP CCOC(=O)CN(C)C(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182579180 209133240 /nfs/dbraw/zinc/13/32/40/209133240.db2.gz VNETYCDLCVJATP-SJPCQFCGSA-N 2 2 366.506 0.251 10 0 FCAELP CCOC(=O)CN(C)C(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182579180 209133245 /nfs/dbraw/zinc/13/32/45/209133245.db2.gz VNETYCDLCVJATP-SJPCQFCGSA-N 2 2 366.506 0.251 10 0 FCAELP CCOC(=O)C1(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCOCC1 ZINC000375746861 217308176 /nfs/dbraw/zinc/30/81/76/217308176.db2.gz SUOWJAXBNWVNBS-HNNXBMFYSA-N 2 2 367.490 0.631 10 0 FCAELP CCOC(=O)C1(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCOCC1 ZINC000375746861 217308178 /nfs/dbraw/zinc/30/81/78/217308178.db2.gz SUOWJAXBNWVNBS-HNNXBMFYSA-N 2 2 367.490 0.631 10 0 FCAELP C[N@H+](CC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1)[C@@H]1CCC[C@H]1O ZINC000375749023 217308339 /nfs/dbraw/zinc/30/83/39/217308339.db2.gz AYHYJNHGQPNUCO-IPMKNSEASA-N 2 2 361.486 0.849 10 0 FCAELP C[NH+](CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1CCC[C@H]1O ZINC000375749023 217308345 /nfs/dbraw/zinc/30/83/45/217308345.db2.gz AYHYJNHGQPNUCO-IPMKNSEASA-N 2 2 361.486 0.849 10 0 FCAELP C[NH+](CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1CCC[C@H]1O ZINC000375749023 217308348 /nfs/dbraw/zinc/30/83/48/217308348.db2.gz AYHYJNHGQPNUCO-IPMKNSEASA-N 2 2 361.486 0.849 10 0 FCAELP O=C(NCCCNc1cccc[nH+]1)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000419659831 246233558 /nfs/dbraw/zinc/23/35/58/246233558.db2.gz ZRBDJXLTFMRGHN-MRXNPFEDSA-N 2 2 368.441 0.568 10 0 FCAELP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000419639297 246227035 /nfs/dbraw/zinc/22/70/35/246227035.db2.gz GUNRYJZBUBXPBD-ZBFHGGJFSA-N 2 2 359.474 0.895 10 0 FCAELP C[NH2+]CCCNC(=O)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000419708471 246262143 /nfs/dbraw/zinc/26/21/43/246262143.db2.gz HPTFIFRPXLIEJR-UHFFFAOYSA-N 2 2 352.866 0.540 10 0 FCAELP C[NH2+]CCCNC(=O)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000419708471 246262148 /nfs/dbraw/zinc/26/21/48/246262148.db2.gz HPTFIFRPXLIEJR-UHFFFAOYSA-N 2 2 352.866 0.540 10 0 FCAELP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000377575587 217563780 /nfs/dbraw/zinc/56/37/80/217563780.db2.gz QPKWQDWCDALMLX-INIZCTEOSA-N 2 2 362.522 0.384 10 0 FCAELP [NH3+][C@@H](CNC(=O)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000419875145 246340919 /nfs/dbraw/zinc/34/09/19/246340919.db2.gz WJBWZZNWZNCEOI-HOCLYGCPSA-N 2 2 359.474 0.779 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC000423489488 247035861 /nfs/dbraw/zinc/03/58/61/247035861.db2.gz XFWFAULMXBXYKZ-MRXNPFEDSA-N 2 2 359.474 0.626 10 0 FCAELP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CC1 ZINC000423690703 247110274 /nfs/dbraw/zinc/11/02/74/247110274.db2.gz YUHZXHXNJLLONJ-RDJZCZTQSA-N 2 2 359.474 0.497 10 0 FCAELP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000423607110 247072125 /nfs/dbraw/zinc/07/21/25/247072125.db2.gz MEBUFWKSOULFEE-GJZGRUSLSA-N 2 2 359.474 0.746 10 0 FCAELP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000423607115 247072175 /nfs/dbraw/zinc/07/21/75/247072175.db2.gz MEBUFWKSOULFEE-HUUCEWRRSA-N 2 2 359.474 0.746 10 0 FCAELP Cc1nc(N2CCN(C(=O)c3cn([C@H]4CCC[NH2+]C4)nn3)CC2)cc[nH+]1 ZINC000424184616 247176777 /nfs/dbraw/zinc/17/67/77/247176777.db2.gz YFYZEPHCNGXMFA-AWEZNQCLSA-N 2 2 356.434 0.263 10 0 FCAELP Cn1cc[nH+]c1CN(C(=O)C[NH2+]C[C@@H]1CCCO1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435560954 248001071 /nfs/dbraw/zinc/00/10/71/248001071.db2.gz YNFQLSOLLWUKRH-JKSUJKDBSA-N 3 2 361.490 0.659 10 0 FCAELP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000439250475 248116587 /nfs/dbraw/zinc/11/65/87/248116587.db2.gz UNSJFOQYLGTSDI-SFHVURJKSA-N 2 2 363.506 0.858 10 0 FCAELP COC(=O)[C@@H]1C[N@H+](CCn2cc[nH+]c2C)[C@@H](C)CN1CCn1cc[nH+]c1C ZINC000451729391 248526707 /nfs/dbraw/zinc/52/67/07/248526707.db2.gz VGFGYLKUXJJDAK-YJBOKZPZSA-N 3 2 374.489 0.944 10 0 FCAELP COC(=O)[C@@H]1C[N@@H+](CCn2cc[nH+]c2C)[C@@H](C)CN1CCn1cc[nH+]c1C ZINC000451729391 248526709 /nfs/dbraw/zinc/52/67/09/248526709.db2.gz VGFGYLKUXJJDAK-YJBOKZPZSA-N 3 2 374.489 0.944 10 0 FCAELP O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000452376344 249315409 /nfs/dbraw/zinc/31/54/09/249315409.db2.gz KSLYSCOGFASQDR-KRWDZBQOSA-N 2 2 362.474 0.490 10 0 FCAELP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000452376344 249315411 /nfs/dbraw/zinc/31/54/11/249315411.db2.gz KSLYSCOGFASQDR-KRWDZBQOSA-N 2 2 362.474 0.490 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)N3C[C@@H](C)[N@H+](CCO)[C@@H](C)C3)ccc2[nH+]1 ZINC000453926436 249387945 /nfs/dbraw/zinc/38/79/45/249387945.db2.gz DELMEQLHVXICMB-OKILXGFUSA-N 2 2 359.430 0.495 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)N3C[C@@H](C)[N@@H+](CCO)[C@@H](C)C3)ccc2[nH+]1 ZINC000453926436 249387951 /nfs/dbraw/zinc/38/79/51/249387951.db2.gz DELMEQLHVXICMB-OKILXGFUSA-N 2 2 359.430 0.495 10 0 FCAELP CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000931817421 674135939 /nfs/dbraw/zinc/13/59/39/674135939.db2.gz SYOPVVCHJRJSFC-HOTGVXAUSA-N 2 2 368.547 0.483 10 0 FCAELP CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000931817421 674135941 /nfs/dbraw/zinc/13/59/41/674135941.db2.gz SYOPVVCHJRJSFC-HOTGVXAUSA-N 2 2 368.547 0.483 10 0 FCAELP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCC[N@@H+](C2CC2)CC1 ZINC000064224607 208014438 /nfs/dbraw/zinc/01/44/38/208014438.db2.gz ZVGZIVYQOXJLJH-UHFFFAOYSA-N 2 2 373.505 0.478 10 0 FCAELP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCC[N@H+](C2CC2)CC1 ZINC000064224607 208014445 /nfs/dbraw/zinc/01/44/45/208014445.db2.gz ZVGZIVYQOXJLJH-UHFFFAOYSA-N 2 2 373.505 0.478 10 0 FCAELP CN1C[C@H](NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCC1=O ZINC000074366797 208054922 /nfs/dbraw/zinc/05/49/22/208054922.db2.gz LCASNGIZXPOIEX-MRXNPFEDSA-N 2 2 365.522 0.857 10 0 FCAELP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000105137496 208194620 /nfs/dbraw/zinc/19/46/20/208194620.db2.gz FKSVRDJCRKQITK-QGZVFWFLSA-N 2 2 365.522 0.857 10 0 FCAELP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000105137496 208194628 /nfs/dbraw/zinc/19/46/28/208194628.db2.gz FKSVRDJCRKQITK-QGZVFWFLSA-N 2 2 365.522 0.857 10 0 FCAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000116519082 208332048 /nfs/dbraw/zinc/33/20/48/208332048.db2.gz CWORWQDRGCRKLO-WMZOPIPTSA-N 2 2 361.490 0.923 10 0 FCAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000116519082 208332056 /nfs/dbraw/zinc/33/20/56/208332056.db2.gz CWORWQDRGCRKLO-WMZOPIPTSA-N 2 2 361.490 0.923 10 0 FCAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@H](NS(C)(=O)=O)C3)c2cc1C ZINC000116889540 208336694 /nfs/dbraw/zinc/33/66/94/208336694.db2.gz RYNHKZWQEVSXEJ-LSDHHAIUSA-N 2 2 366.487 0.638 10 0 FCAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@H](NS(C)(=O)=O)C3)c2cc1C ZINC000116889540 208336702 /nfs/dbraw/zinc/33/67/02/208336702.db2.gz RYNHKZWQEVSXEJ-LSDHHAIUSA-N 2 2 366.487 0.638 10 0 FCAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@H](NS(C)(=O)=O)C3)c2cc1C ZINC000116889543 208336934 /nfs/dbraw/zinc/33/69/34/208336934.db2.gz RYNHKZWQEVSXEJ-GJZGRUSLSA-N 2 2 366.487 0.638 10 0 FCAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@H](NS(C)(=O)=O)C3)c2cc1C ZINC000116889543 208336941 /nfs/dbraw/zinc/33/69/41/208336941.db2.gz RYNHKZWQEVSXEJ-GJZGRUSLSA-N 2 2 366.487 0.638 10 0 FCAELP COCC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000117522950 208345517 /nfs/dbraw/zinc/34/55/17/208345517.db2.gz YXXABSHXJYQONS-OAHLLOKOSA-N 2 2 362.474 0.866 10 0 FCAELP COCC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000117522950 208345519 /nfs/dbraw/zinc/34/55/19/208345519.db2.gz YXXABSHXJYQONS-OAHLLOKOSA-N 2 2 362.474 0.866 10 0 FCAELP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000118115662 208350371 /nfs/dbraw/zinc/35/03/71/208350371.db2.gz WEPXXUJTNRKPID-KRWDZBQOSA-N 2 2 362.474 0.914 10 0 FCAELP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000118115662 208350374 /nfs/dbraw/zinc/35/03/74/208350374.db2.gz WEPXXUJTNRKPID-KRWDZBQOSA-N 2 2 362.474 0.914 10 0 FCAELP COCC(COC)[NH+]1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000413482325 533100978 /nfs/dbraw/zinc/10/09/78/533100978.db2.gz VKSPTCVQDPHDDB-UHFFFAOYSA-N 2 2 351.451 0.097 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000180478781 209096510 /nfs/dbraw/zinc/09/65/10/209096510.db2.gz VMFLJKUESXSKNF-MOPGFXCFSA-N 2 2 363.502 0.765 10 0 FCAELP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000176629419 209007062 /nfs/dbraw/zinc/00/70/62/209007062.db2.gz ZNWRKBPQZQXIEV-SFHVURJKSA-N 2 2 368.522 0.992 10 0 FCAELP C[NH+](C)C[C@H]1CN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CCO1 ZINC000178615766 209053480 /nfs/dbraw/zinc/05/34/80/209053480.db2.gz OUVPCCHUDVYXHO-INIZCTEOSA-N 2 2 366.531 0.655 10 0 FCAELP CC(C)COC[C@H](O)C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000178609676 209054388 /nfs/dbraw/zinc/05/43/88/209054388.db2.gz UBAFGWVVVBXQEG-MOPGFXCFSA-N 2 2 357.539 0.747 10 0 FCAELP CC(C)COC[C@H](O)C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000178609676 209054394 /nfs/dbraw/zinc/05/43/94/209054394.db2.gz UBAFGWVVVBXQEG-MOPGFXCFSA-N 2 2 357.539 0.747 10 0 FCAELP CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@H]3C[NH+]4CCN3CC4)cc2)CC1 ZINC000178783120 209059620 /nfs/dbraw/zinc/05/96/20/209059620.db2.gz IGSJMIZWMQJGMA-FQEVSTJZSA-N 2 2 371.529 0.947 10 0 FCAELP CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@@H]3C[NH+]4CCN3CC4)cc2)CC1 ZINC000178783105 209060752 /nfs/dbraw/zinc/06/07/52/209060752.db2.gz IGSJMIZWMQJGMA-HXUWFJFHSA-N 2 2 371.529 0.947 10 0 FCAELP C[NH+]1CCN(Cc2cccc(C(=O)NC[C@@H]3C[NH+]4CCN3CC4)c2)CC1 ZINC000178971901 209069769 /nfs/dbraw/zinc/06/97/69/209069769.db2.gz OHGUSLVXZNMQEG-LJQANCHMSA-N 2 2 357.502 0.164 10 0 FCAELP C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000091767041 229158818 /nfs/dbraw/zinc/15/88/18/229158818.db2.gz SAHDQMMLIDAZMM-JKSUJKDBSA-N 2 2 351.495 0.419 10 0 FCAELP C[C@H]1C(=O)N(C)CCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000187316559 229239461 /nfs/dbraw/zinc/23/94/61/229239461.db2.gz JGHSTGXWSZTOBA-INIZCTEOSA-N 2 2 365.522 0.809 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N(C)[C@@H]3CC[N@@H+](C4CC4)C3)CC2)cc[nH+]1 ZINC000410496539 230102774 /nfs/dbraw/zinc/10/27/74/230102774.db2.gz GAMIQDRDQOJNMG-MRXNPFEDSA-N 2 2 372.473 0.129 10 0 FCAELP 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GXKXQMFTLRIVMR-CABCVRRESA-N 2 2 362.540 0.046 10 0 FCAELP CC[NH+]1CCN(CC(=O)N[C@H](C)C2([NH+]3CCOCC3)CCCC2)CC1 ZINC000085293193 488451153 /nfs/dbraw/zinc/45/11/53/488451153.db2.gz ZNBVMDDOYVBDGR-QGZVFWFLSA-N 2 2 352.523 0.774 10 0 FCAELP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000245894790 488466600 /nfs/dbraw/zinc/46/66/00/488466600.db2.gz QTOQGKKOOQBQQV-SQNIBIBYSA-N 2 2 369.554 0.357 10 0 FCAELP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000245894790 488466605 /nfs/dbraw/zinc/46/66/05/488466605.db2.gz QTOQGKKOOQBQQV-SQNIBIBYSA-N 2 2 369.554 0.357 10 0 FCAELP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000245894790 488466608 /nfs/dbraw/zinc/46/66/08/488466608.db2.gz QTOQGKKOOQBQQV-SQNIBIBYSA-N 2 2 369.554 0.357 10 0 FCAELP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000245894790 488466611 /nfs/dbraw/zinc/46/66/11/488466611.db2.gz QTOQGKKOOQBQQV-SQNIBIBYSA-N 2 2 369.554 0.357 10 0 FCAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC000247007449 488479898 /nfs/dbraw/zinc/47/98/98/488479898.db2.gz LHQMUZZSZMALEO-DLBZAZTESA-N 3 2 354.539 0.876 10 0 FCAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC000247007449 488479899 /nfs/dbraw/zinc/47/98/99/488479899.db2.gz LHQMUZZSZMALEO-DLBZAZTESA-N 3 2 354.539 0.876 10 0 FCAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC000247007449 488479901 /nfs/dbraw/zinc/47/99/01/488479901.db2.gz LHQMUZZSZMALEO-DLBZAZTESA-N 3 2 354.539 0.876 10 0 FCAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC000247007449 488479902 /nfs/dbraw/zinc/47/99/02/488479902.db2.gz LHQMUZZSZMALEO-DLBZAZTESA-N 3 2 354.539 0.876 10 0 FCAELP CC[N@@H+]1CC[C@@H](N(C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC000247007449 488479903 /nfs/dbraw/zinc/47/99/03/488479903.db2.gz LHQMUZZSZMALEO-DLBZAZTESA-N 2 2 354.539 0.876 10 0 FCAELP CC[N@H+]1CC[C@@H](N(C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC000247007449 488479905 /nfs/dbraw/zinc/47/99/05/488479905.db2.gz LHQMUZZSZMALEO-DLBZAZTESA-N 2 2 354.539 0.876 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000248217037 488494457 /nfs/dbraw/zinc/49/44/57/488494457.db2.gz ZWDKIPQBUZNXQT-QRVBRYPASA-N 3 2 366.550 0.876 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000248217037 488494459 /nfs/dbraw/zinc/49/44/59/488494459.db2.gz ZWDKIPQBUZNXQT-QRVBRYPASA-N 3 2 366.550 0.876 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000248217037 488494461 /nfs/dbraw/zinc/49/44/61/488494461.db2.gz ZWDKIPQBUZNXQT-QRVBRYPASA-N 3 2 366.550 0.876 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000248217037 488494463 /nfs/dbraw/zinc/49/44/63/488494463.db2.gz ZWDKIPQBUZNXQT-QRVBRYPASA-N 3 2 366.550 0.876 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)NC3CCN(CC[NH+](C)C)CC3)ccc2[nH+]1 ZINC000271588826 488528713 /nfs/dbraw/zinc/52/87/13/488528713.db2.gz UROIQXLZJNWXJW-UHFFFAOYSA-N 2 2 372.473 0.723 10 0 FCAELP C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000112295778 488534302 /nfs/dbraw/zinc/53/43/02/488534302.db2.gz OTWKSFVMARVRMT-MRXNPFEDSA-N 2 2 360.506 0.199 10 0 FCAELP C[NH+]1CCN(c2cc(C(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)ccn2)CC1 ZINC000114858579 488542334 /nfs/dbraw/zinc/54/23/34/488542334.db2.gz UBUUFRBUDKEIAY-QGZVFWFLSA-N 2 2 359.474 0.426 10 0 FCAELP C[NH+]1CCN(c2cc(C(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)ccn2)CC1 ZINC000114858579 488542336 /nfs/dbraw/zinc/54/23/36/488542336.db2.gz UBUUFRBUDKEIAY-QGZVFWFLSA-N 2 2 359.474 0.426 10 0 FCAELP CC[C@@H]1CN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC000117494047 488551182 /nfs/dbraw/zinc/55/11/82/488551182.db2.gz VHHIVUIYMHLGKC-DLBZAZTESA-N 2 2 355.527 0.375 10 0 FCAELP CC[C@@H]1CN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC000117494047 488551188 /nfs/dbraw/zinc/55/11/88/488551188.db2.gz VHHIVUIYMHLGKC-DLBZAZTESA-N 2 2 355.527 0.375 10 0 FCAELP CC[C@@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC[N@@H+]1CCOC ZINC000117494047 488551189 /nfs/dbraw/zinc/55/11/89/488551189.db2.gz VHHIVUIYMHLGKC-DLBZAZTESA-N 2 2 355.527 0.375 10 0 FCAELP CC[C@@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC[N@H+]1CCOC ZINC000117494047 488551192 /nfs/dbraw/zinc/55/11/92/488551192.db2.gz VHHIVUIYMHLGKC-DLBZAZTESA-N 2 2 355.527 0.375 10 0 FCAELP [NH3+]Cc1nc(CN2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)no1 ZINC000262117906 488551991 /nfs/dbraw/zinc/55/19/91/488551991.db2.gz BRJXNYPVBJEEAO-MRXNPFEDSA-N 2 2 371.489 0.958 10 0 FCAELP CNC(=O)c1cccc(OCC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000120410123 488561137 /nfs/dbraw/zinc/56/11/37/488561137.db2.gz VYTIIPHCAGNOET-UHFFFAOYSA-N 2 2 362.474 0.567 10 0 FCAELP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262676986 488586074 /nfs/dbraw/zinc/58/60/74/488586074.db2.gz SUDNTJJJEYRUDF-IMJJTQAJSA-N 2 2 357.520 0.532 10 0 FCAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCc2ccc(OCC(N)=O)cc2)CC[N@@H+]1C ZINC000123766408 488587354 /nfs/dbraw/zinc/58/73/54/488587354.db2.gz PJDSAQYJWUTABJ-HOCLYGCPSA-N 2 2 362.474 0.581 10 0 FCAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCc2ccc(OCC(N)=O)cc2)CC[N@H+]1C ZINC000123766408 488587356 /nfs/dbraw/zinc/58/73/56/488587356.db2.gz PJDSAQYJWUTABJ-HOCLYGCPSA-N 2 2 362.474 0.581 10 0 FCAELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)NCc2ccc(OCC(N)=O)cc2)CC[NH+]1C ZINC000123766408 488587359 /nfs/dbraw/zinc/58/73/59/488587359.db2.gz PJDSAQYJWUTABJ-HOCLYGCPSA-N 2 2 362.474 0.581 10 0 FCAELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)NCc2ccc(OCC(N)=O)cc2)CC[NH+]1C ZINC000123766408 488587361 /nfs/dbraw/zinc/58/73/61/488587361.db2.gz PJDSAQYJWUTABJ-HOCLYGCPSA-N 2 2 362.474 0.581 10 0 FCAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCc2ccc(OCC(N)=O)cc2)CC[N@@H+]1C ZINC000123766228 488587513 /nfs/dbraw/zinc/58/75/13/488587513.db2.gz PJDSAQYJWUTABJ-ZBFHGGJFSA-N 2 2 362.474 0.581 10 0 FCAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCc2ccc(OCC(N)=O)cc2)CC[N@H+]1C ZINC000123766228 488587516 /nfs/dbraw/zinc/58/75/16/488587516.db2.gz PJDSAQYJWUTABJ-ZBFHGGJFSA-N 2 2 362.474 0.581 10 0 FCAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)NCc2ccc(OCC(N)=O)cc2)CC[NH+]1C ZINC000123766228 488587519 /nfs/dbraw/zinc/58/75/19/488587519.db2.gz PJDSAQYJWUTABJ-ZBFHGGJFSA-N 2 2 362.474 0.581 10 0 FCAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NCc2ccc(OCC(N)=O)cc2)CC[NH+]1C ZINC000123766228 488587520 /nfs/dbraw/zinc/58/75/20/488587520.db2.gz PJDSAQYJWUTABJ-ZBFHGGJFSA-N 2 2 362.474 0.581 10 0 FCAELP COCC[N@H+](C)CCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000124524770 488594196 /nfs/dbraw/zinc/59/41/96/488594196.db2.gz YTWRIHGTMXVHOY-JWTNVVGKSA-N 3 2 367.538 0.517 10 0 FCAELP COCC[N@@H+](C)CCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000124524770 488594198 /nfs/dbraw/zinc/59/41/98/488594198.db2.gz YTWRIHGTMXVHOY-JWTNVVGKSA-N 3 2 367.538 0.517 10 0 FCAELP COCC[NH+](C)CCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000124524770 488594200 /nfs/dbraw/zinc/59/42/00/488594200.db2.gz YTWRIHGTMXVHOY-JWTNVVGKSA-N 3 2 367.538 0.517 10 0 FCAELP COCC[NH+](C)CCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000124524770 488594201 /nfs/dbraw/zinc/59/42/01/488594201.db2.gz YTWRIHGTMXVHOY-JWTNVVGKSA-N 3 2 367.538 0.517 10 0 FCAELP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CC(F)(F)C[NH2+]3)cn2)CC1 ZINC000262912896 488599075 /nfs/dbraw/zinc/59/90/75/488599075.db2.gz FWFFNZCCMPARMO-CQSZACIVSA-N 2 2 353.417 0.837 10 0 FCAELP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263131084 488604852 /nfs/dbraw/zinc/60/48/52/488604852.db2.gz BSNRISVYWVORIR-KBPBESRZSA-N 2 2 353.417 0.706 10 0 FCAELP CCOC(=O)c1cn(C)nc1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000273213642 488638506 /nfs/dbraw/zinc/63/85/06/488638506.db2.gz KAXZZHMDIINEKE-UHFFFAOYSA-N 2 2 366.466 0.744 10 0 FCAELP O=C(NC[C@H](O)C[NH+]1CCOCC1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000132330567 488652641 /nfs/dbraw/zinc/65/26/41/488652641.db2.gz PNSLRVBUZVFNCT-RBUKOAKNSA-N 2 2 361.486 0.850 10 0 FCAELP O=C(NC[C@H](O)C[NH+]1CCOCC1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000132330567 488652643 /nfs/dbraw/zinc/65/26/43/488652643.db2.gz PNSLRVBUZVFNCT-RBUKOAKNSA-N 2 2 361.486 0.850 10 0 FCAELP COC(=O)[C@@H](O)C1CC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000135388865 488672319 /nfs/dbraw/zinc/67/23/19/488672319.db2.gz WCSFIZNQXYEPOV-MSOLQXFVSA-N 2 2 350.459 0.725 10 0 FCAELP COC(=O)[C@@H](O)C1CC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000135388865 488672321 /nfs/dbraw/zinc/67/23/21/488672321.db2.gz WCSFIZNQXYEPOV-MSOLQXFVSA-N 2 2 350.459 0.725 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)CC(C)(CO)CO)CC1 ZINC000135867263 488675336 /nfs/dbraw/zinc/67/53/36/488675336.db2.gz AQHRCQQUELCZGR-KRWDZBQOSA-N 2 2 363.502 0.815 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)CC(C)(CO)CO)CC1 ZINC000135867263 488675339 /nfs/dbraw/zinc/67/53/39/488675339.db2.gz AQHRCQQUELCZGR-KRWDZBQOSA-N 2 2 363.502 0.815 10 0 FCAELP Cc1[nH+]ccn1CCC[NH+](C)CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000136306071 488677233 /nfs/dbraw/zinc/67/72/33/488677233.db2.gz YDGYSFBMQCMOEQ-SFHVURJKSA-N 3 2 365.522 0.986 10 0 FCAELP Cc1[nH+]ccn1CCC[NH+](C)CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000136306071 488677235 /nfs/dbraw/zinc/67/72/35/488677235.db2.gz YDGYSFBMQCMOEQ-SFHVURJKSA-N 3 2 365.522 0.986 10 0 FCAELP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000136306071 488677237 /nfs/dbraw/zinc/67/72/37/488677237.db2.gz YDGYSFBMQCMOEQ-SFHVURJKSA-N 3 2 365.522 0.986 10 0 FCAELP CC[C@@H]1CN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC[N@@H+]1CCOC ZINC000274406388 488705575 /nfs/dbraw/zinc/70/55/75/488705575.db2.gz YYSZZZPWLSGZAU-OAHLLOKOSA-N 2 2 362.478 0.302 10 0 FCAELP CC[C@@H]1CN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC[N@H+]1CCOC ZINC000274406388 488705576 /nfs/dbraw/zinc/70/55/76/488705576.db2.gz YYSZZZPWLSGZAU-OAHLLOKOSA-N 2 2 362.478 0.302 10 0 FCAELP COCCN(C)S(=O)(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000158277338 488776975 /nfs/dbraw/zinc/77/69/75/488776975.db2.gz KDCCPCREHJGYMA-XYPWUTKMSA-N 2 2 360.524 0.052 10 0 FCAELP COCCN(C)S(=O)(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000158277338 488776976 /nfs/dbraw/zinc/77/69/76/488776976.db2.gz KDCCPCREHJGYMA-XYPWUTKMSA-N 2 2 360.524 0.052 10 0 FCAELP C[C@@H](CNC(=O)N1CCN(Cc2[nH+]ccn2C)CC1)C[NH+]1CCOCC1 ZINC000163389252 488807156 /nfs/dbraw/zinc/80/71/56/488807156.db2.gz RQQWLTHEDPKORT-INIZCTEOSA-N 2 2 364.494 0.216 10 0 FCAELP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000163651338 488808585 /nfs/dbraw/zinc/80/85/85/488808585.db2.gz RPBZTUWMYRHYFB-ZIAGYGMSSA-N 2 2 368.503 0.995 10 0 FCAELP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000163651338 488808586 /nfs/dbraw/zinc/80/85/86/488808586.db2.gz RPBZTUWMYRHYFB-ZIAGYGMSSA-N 2 2 368.503 0.995 10 0 FCAELP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000163651338 488808587 /nfs/dbraw/zinc/80/85/87/488808587.db2.gz RPBZTUWMYRHYFB-ZIAGYGMSSA-N 2 2 368.503 0.995 10 0 FCAELP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000163651338 488808589 /nfs/dbraw/zinc/80/85/89/488808589.db2.gz RPBZTUWMYRHYFB-ZIAGYGMSSA-N 2 2 368.503 0.995 10 0 FCAELP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000170843394 488817056 /nfs/dbraw/zinc/81/70/56/488817056.db2.gz UELSIQKXCHDFEI-MRXNPFEDSA-N 2 2 360.458 0.620 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCCN(c3ccc(C)nn3)CC2)CC1 ZINC000170939890 488817895 /nfs/dbraw/zinc/81/78/95/488817895.db2.gz VMDOCYSCTDNBEA-QGZVFWFLSA-N 2 2 360.506 0.850 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCCN(c3ccc(C)nn3)CC2)CC1 ZINC000170939890 488817896 /nfs/dbraw/zinc/81/78/96/488817896.db2.gz VMDOCYSCTDNBEA-QGZVFWFLSA-N 2 2 360.506 0.850 10 0 FCAELP Cn1cnnc1SCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000171030624 488818905 /nfs/dbraw/zinc/81/89/05/488818905.db2.gz VVLXERQBTVHTGG-UHFFFAOYSA-N 2 2 352.508 0.582 10 0 FCAELP CN(C(=O)NC[C@@H]1C[N@H+](C)CCO1)C1CC[NH+](CCn2cccn2)CC1 ZINC000171760702 488827004 /nfs/dbraw/zinc/82/70/04/488827004.db2.gz QANYBYJUWWSLFD-QGZVFWFLSA-N 2 2 364.494 0.320 10 0 FCAELP CN(C(=O)NC[C@@H]1C[N@@H+](C)CCO1)C1CC[NH+](CCn2cccn2)CC1 ZINC000171760702 488827006 /nfs/dbraw/zinc/82/70/06/488827006.db2.gz QANYBYJUWWSLFD-QGZVFWFLSA-N 2 2 364.494 0.320 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000171933310 488828841 /nfs/dbraw/zinc/82/88/41/488828841.db2.gz IORAXRKPIURUBO-OALUTQOASA-N 3 2 365.566 0.641 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000171933310 488828842 /nfs/dbraw/zinc/82/88/42/488828842.db2.gz IORAXRKPIURUBO-OALUTQOASA-N 3 2 365.566 0.641 10 0 FCAELP CN1CC[C@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1=O ZINC000172754908 488837617 /nfs/dbraw/zinc/83/76/17/488837617.db2.gz SRIFNAOOQHRIDG-INIZCTEOSA-N 2 2 350.507 0.921 10 0 FCAELP COCC[N@H+](C)CCCNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000173987141 488846673 /nfs/dbraw/zinc/84/66/73/488846673.db2.gz LGYBPFWUNSOCSJ-KRWDZBQOSA-N 2 2 356.511 0.851 10 0 FCAELP COCC[N@@H+](C)CCCNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000173987141 488846674 /nfs/dbraw/zinc/84/66/74/488846674.db2.gz LGYBPFWUNSOCSJ-KRWDZBQOSA-N 2 2 356.511 0.851 10 0 FCAELP COCCCS(=O)(=O)NCC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000175198590 488853351 /nfs/dbraw/zinc/85/33/51/488853351.db2.gz XFMJPVSNFYYBCO-UHFFFAOYSA-N 2 2 358.508 0.631 10 0 FCAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCN(c3cnccn3)CC2)[C@H](C)C1 ZINC000175732479 488855187 /nfs/dbraw/zinc/85/51/87/488855187.db2.gz FMLDCUHYSNSMSI-IAGOWNOFSA-N 2 2 360.506 0.787 10 0 FCAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCN(c3cnccn3)CC2)[C@H](C)C1 ZINC000175732479 488855188 /nfs/dbraw/zinc/85/51/88/488855188.db2.gz FMLDCUHYSNSMSI-IAGOWNOFSA-N 2 2 360.506 0.787 10 0 FCAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCN(c3cnccn3)CC2)[C@H](C)C1 ZINC000175732479 488855189 /nfs/dbraw/zinc/85/51/89/488855189.db2.gz FMLDCUHYSNSMSI-IAGOWNOFSA-N 2 2 360.506 0.787 10 0 FCAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCN(c3cnccn3)CC2)[C@H](C)C1 ZINC000175732479 488855190 /nfs/dbraw/zinc/85/51/90/488855190.db2.gz FMLDCUHYSNSMSI-IAGOWNOFSA-N 2 2 360.506 0.787 10 0 FCAELP C[N@H+](C[C@@H](O)CN1CCOCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000175784622 488855581 /nfs/dbraw/zinc/85/55/81/488855581.db2.gz UAXDLLJWKQLGGM-HXUWFJFHSA-N 2 2 362.518 0.713 10 0 FCAELP C[N@@H+](C[C@@H](O)CN1CCOCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000175784622 488855582 /nfs/dbraw/zinc/85/55/82/488855582.db2.gz UAXDLLJWKQLGGM-HXUWFJFHSA-N 2 2 362.518 0.713 10 0 FCAELP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000176046405 488857241 /nfs/dbraw/zinc/85/72/41/488857241.db2.gz NCKUTCJEYPZCJO-OAHLLOKOSA-N 2 2 362.474 0.832 10 0 FCAELP CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329362679 488997498 /nfs/dbraw/zinc/99/74/98/488997498.db2.gz HKAWHNQSHZORSX-KRWDZBQOSA-N 2 2 366.506 0.110 10 0 FCAELP CC[N@H+]1CCOC[C@H]1C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329362679 488997503 /nfs/dbraw/zinc/99/75/03/488997503.db2.gz HKAWHNQSHZORSX-KRWDZBQOSA-N 2 2 366.506 0.110 10 0 FCAELP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)c(=O)n2C ZINC000563216086 491228382 /nfs/dbraw/zinc/22/83/82/491228382.db2.gz FLZQBDSCMQMSNS-GJZGRUSLSA-N 2 2 374.489 0.430 10 0 FCAELP Cn1cnc2c1c(=O)n(CCC[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)c(=O)n2C ZINC000563216086 491228383 /nfs/dbraw/zinc/22/83/83/491228383.db2.gz FLZQBDSCMQMSNS-GJZGRUSLSA-N 2 2 374.489 0.430 10 0 FCAELP O=C(C[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1)N1CCOCC1 ZINC000289344322 489060712 /nfs/dbraw/zinc/06/07/12/489060712.db2.gz MGFYEVUVSVWICY-INIZCTEOSA-N 2 2 360.458 0.994 10 0 FCAELP O=C(C[N@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1)N1CCOCC1 ZINC000289344322 489060716 /nfs/dbraw/zinc/06/07/16/489060716.db2.gz MGFYEVUVSVWICY-INIZCTEOSA-N 2 2 360.458 0.994 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@@H]([NH+](C)C)CC2)C1 ZINC000365405172 489072273 /nfs/dbraw/zinc/07/22/73/489072273.db2.gz RUHMNPFRBUBRNL-MSOLQXFVSA-N 3 2 354.539 0.876 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@@H]([NH+](C)C)CC2)C1 ZINC000365405172 489072276 /nfs/dbraw/zinc/07/22/76/489072276.db2.gz RUHMNPFRBUBRNL-MSOLQXFVSA-N 3 2 354.539 0.876 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)C1 ZINC000365405172 489072278 /nfs/dbraw/zinc/07/22/78/489072278.db2.gz RUHMNPFRBUBRNL-MSOLQXFVSA-N 3 2 354.539 0.876 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)C1 ZINC000365405172 489072280 /nfs/dbraw/zinc/07/22/80/489072280.db2.gz RUHMNPFRBUBRNL-MSOLQXFVSA-N 3 2 354.539 0.876 10 0 FCAELP CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000289601736 489080447 /nfs/dbraw/zinc/08/04/47/489080447.db2.gz KERXYBZKWXMYBA-HOTGVXAUSA-N 2 2 368.428 0.846 10 0 FCAELP CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000289601736 489080451 /nfs/dbraw/zinc/08/04/51/489080451.db2.gz KERXYBZKWXMYBA-HOTGVXAUSA-N 2 2 368.428 0.846 10 0 FCAELP C[C@@H](O)[C@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCO1 ZINC000563323180 491236768 /nfs/dbraw/zinc/23/67/68/491236768.db2.gz MMDBPAZVEISOFK-IAGOWNOFSA-N 2 2 368.522 0.728 10 0 FCAELP C[NH+]1CCN(c2ncccc2CNc2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000368281368 489217537 /nfs/dbraw/zinc/21/75/37/489217537.db2.gz BMSSCSVKVJIETN-UHFFFAOYSA-N 2 2 369.473 1.072 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(c4cccnn4)CC3)C2)CC1 ZINC000369369263 489231533 /nfs/dbraw/zinc/23/15/33/489231533.db2.gz FWGIZFKANQKLGX-MRXNPFEDSA-N 2 2 373.505 0.477 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(c4cccnn4)CC3)C2)CC1 ZINC000369369263 489231536 /nfs/dbraw/zinc/23/15/36/489231536.db2.gz FWGIZFKANQKLGX-MRXNPFEDSA-N 2 2 373.505 0.477 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@H]3OCC[NH+](C)[C@H]3C2)C1 ZINC000332799426 489233118 /nfs/dbraw/zinc/23/31/18/489233118.db2.gz ZTEPNUWAHMWOQT-IXDOHACOSA-N 2 2 354.495 0.458 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@H]3OCC[NH+](C)[C@H]3C2)C1 ZINC000332799426 489233120 /nfs/dbraw/zinc/23/31/20/489233120.db2.gz ZTEPNUWAHMWOQT-IXDOHACOSA-N 2 2 354.495 0.458 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)C1 ZINC000332799426 489233121 /nfs/dbraw/zinc/23/31/21/489233121.db2.gz ZTEPNUWAHMWOQT-IXDOHACOSA-N 2 2 354.495 0.458 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)C1 ZINC000332799426 489233122 /nfs/dbraw/zinc/23/31/22/489233122.db2.gz ZTEPNUWAHMWOQT-IXDOHACOSA-N 2 2 354.495 0.458 10 0 FCAELP CO[C@@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C[C@@H]1OC ZINC000370509550 489368337 /nfs/dbraw/zinc/36/83/37/489368337.db2.gz SDGSDASKCGLWMU-CALCHBBNSA-N 2 2 368.522 0.992 10 0 FCAELP CC(C)(CNC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1)[NH+]1CCOCC1 ZINC000362704555 489393600 /nfs/dbraw/zinc/39/36/00/489393600.db2.gz UFOKXBYFMHNUMN-JKSUJKDBSA-N 2 2 366.506 0.204 10 0 FCAELP CC(C)(CNC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1)[NH+]1CCOCC1 ZINC000362704555 489393602 /nfs/dbraw/zinc/39/36/02/489393602.db2.gz UFOKXBYFMHNUMN-JKSUJKDBSA-N 2 2 366.506 0.204 10 0 FCAELP O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000555540846 491253709 /nfs/dbraw/zinc/25/37/09/491253709.db2.gz AZSXGOWWQCFBDE-RBUKOAKNSA-N 2 2 361.486 0.708 10 0 FCAELP O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000555540846 491253710 /nfs/dbraw/zinc/25/37/10/491253710.db2.gz AZSXGOWWQCFBDE-RBUKOAKNSA-N 2 2 361.486 0.708 10 0 FCAELP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)n1C ZINC000286750251 489424584 /nfs/dbraw/zinc/42/45/84/489424584.db2.gz GHTAPMJXNDKXJQ-UHFFFAOYSA-N 2 2 359.434 0.232 10 0 FCAELP C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000363262604 489445959 /nfs/dbraw/zinc/44/59/59/489445959.db2.gz GAIJDOMZDKXBNF-SFHVURJKSA-N 3 2 365.566 0.689 10 0 FCAELP C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)N1CC[NH+](C)CC1 ZINC000363262604 489445962 /nfs/dbraw/zinc/44/59/62/489445962.db2.gz GAIJDOMZDKXBNF-SFHVURJKSA-N 2 2 365.566 0.689 10 0 FCAELP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[N@H+](CC(N)=O)CC3)cc2)CC1 ZINC000363278076 489447927 /nfs/dbraw/zinc/44/79/27/489447927.db2.gz IWZUKGABQQTEHI-UHFFFAOYSA-N 2 2 373.501 0.462 10 0 FCAELP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[N@@H+](CC(N)=O)CC3)cc2)CC1 ZINC000363278076 489447930 /nfs/dbraw/zinc/44/79/30/489447930.db2.gz IWZUKGABQQTEHI-UHFFFAOYSA-N 2 2 373.501 0.462 10 0 FCAELP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1=O ZINC000371308682 489475821 /nfs/dbraw/zinc/47/58/21/489475821.db2.gz QTNWZYIQSHETNZ-RRFJBIMHSA-N 2 2 359.474 0.716 10 0 FCAELP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1=O ZINC000371308682 489475824 /nfs/dbraw/zinc/47/58/24/489475824.db2.gz QTNWZYIQSHETNZ-RRFJBIMHSA-N 2 2 359.474 0.716 10 0 FCAELP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1=O ZINC000371308682 489475827 /nfs/dbraw/zinc/47/58/27/489475827.db2.gz QTNWZYIQSHETNZ-RRFJBIMHSA-N 2 2 359.474 0.716 10 0 FCAELP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1=O ZINC000371308682 489475829 /nfs/dbraw/zinc/47/58/29/489475829.db2.gz QTNWZYIQSHETNZ-RRFJBIMHSA-N 2 2 359.474 0.716 10 0 FCAELP O=C1C[C@H]([NH2+]Cc2ccc(-n3cncn3)cc2)CN1CC[NH+]1CCOCC1 ZINC000363559792 489479152 /nfs/dbraw/zinc/47/91/52/489479152.db2.gz HLKCRBRUCHEFNW-KRWDZBQOSA-N 2 2 370.457 0.290 10 0 FCAELP COCCN(CC[NH+](C)C)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000363569731 489479885 /nfs/dbraw/zinc/47/98/85/489479885.db2.gz RBFSOQYMZHEKLM-UHFFFAOYSA-N 2 2 351.495 0.669 10 0 FCAELP CN(CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)S(=O)(=O)c1ccc(F)cc1 ZINC000423095016 489492519 /nfs/dbraw/zinc/49/25/19/489492519.db2.gz LEKVJEKKDFFPRO-IAGOWNOFSA-N 2 2 371.478 0.803 10 0 FCAELP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000451234692 489494798 /nfs/dbraw/zinc/49/47/98/489494798.db2.gz MDVXDYBSKXGTGW-CVEARBPZSA-N 2 2 369.506 0.925 10 0 FCAELP CN(C)S(=O)(=O)c1cccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000423160156 489498067 /nfs/dbraw/zinc/49/80/67/489498067.db2.gz YZAHETRVUQWBTG-SJORKVTESA-N 2 2 353.488 0.794 10 0 FCAELP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@H]([NH3+])[C@@H]3C)cc2)CC1 ZINC000415741039 489548735 /nfs/dbraw/zinc/54/87/35/489548735.db2.gz JSLKRBJTGFZLCW-YJBOKZPZSA-N 2 2 373.501 0.711 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[N@H+](CCO)C[C@H]2C)CC1 ZINC000452117079 489548974 /nfs/dbraw/zinc/54/89/74/489548974.db2.gz NNLHYDCEHRGABW-RTBURBONSA-N 2 2 374.529 0.890 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[N@@H+](CCO)C[C@H]2C)CC1 ZINC000452117079 489548978 /nfs/dbraw/zinc/54/89/78/489548978.db2.gz NNLHYDCEHRGABW-RTBURBONSA-N 2 2 374.529 0.890 10 0 FCAELP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000416300634 489580466 /nfs/dbraw/zinc/58/04/66/489580466.db2.gz UGOPQNVQHYGRSW-ZHALLVOQSA-N 2 2 361.486 0.801 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000416300634 489580468 /nfs/dbraw/zinc/58/04/68/489580468.db2.gz UGOPQNVQHYGRSW-ZHALLVOQSA-N 2 2 361.486 0.801 10 0 FCAELP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000416300634 489580470 /nfs/dbraw/zinc/58/04/70/489580470.db2.gz UGOPQNVQHYGRSW-ZHALLVOQSA-N 2 2 361.486 0.801 10 0 FCAELP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000416300634 489580471 /nfs/dbraw/zinc/58/04/71/489580471.db2.gz UGOPQNVQHYGRSW-ZHALLVOQSA-N 2 2 361.486 0.801 10 0 FCAELP COCC[N@H+](C)CCNC(=O)C[NH+]1CCc2cc(OC)c(OC)cc2C1 ZINC000428034534 489633342 /nfs/dbraw/zinc/63/33/42/489633342.db2.gz CSZLEPXABUIQGO-UHFFFAOYSA-N 2 2 365.474 0.756 10 0 FCAELP COCC[N@@H+](C)CCNC(=O)C[NH+]1CCc2cc(OC)c(OC)cc2C1 ZINC000428034534 489633345 /nfs/dbraw/zinc/63/33/45/489633345.db2.gz CSZLEPXABUIQGO-UHFFFAOYSA-N 2 2 365.474 0.756 10 0 FCAELP COCC[NH+](C)CCNC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000428034534 489633348 /nfs/dbraw/zinc/63/33/48/489633348.db2.gz CSZLEPXABUIQGO-UHFFFAOYSA-N 2 2 365.474 0.756 10 0 FCAELP COCC[NH+](C)CCNC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000428034534 489633350 /nfs/dbraw/zinc/63/33/50/489633350.db2.gz CSZLEPXABUIQGO-UHFFFAOYSA-N 2 2 365.474 0.756 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)C1 ZINC000372751242 489633406 /nfs/dbraw/zinc/63/34/06/489633406.db2.gz PDVAHLVIPCNTFY-BVIKNXMNSA-N 2 2 366.506 0.045 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)C1 ZINC000372751242 489633409 /nfs/dbraw/zinc/63/34/09/489633409.db2.gz PDVAHLVIPCNTFY-BVIKNXMNSA-N 2 2 366.506 0.045 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)C1 ZINC000372751242 489633412 /nfs/dbraw/zinc/63/34/12/489633412.db2.gz PDVAHLVIPCNTFY-BVIKNXMNSA-N 2 2 366.506 0.045 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)C1 ZINC000372751242 489633413 /nfs/dbraw/zinc/63/34/13/489633413.db2.gz PDVAHLVIPCNTFY-BVIKNXMNSA-N 2 2 366.506 0.045 10 0 FCAELP O=C(NCC[C@@H]1CCC[NH2+]C1)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000417704091 489661619 /nfs/dbraw/zinc/66/16/19/489661619.db2.gz KUNWTXPBQDELFS-INIZCTEOSA-N 2 2 365.522 0.620 10 0 FCAELP CNS(=O)(=O)c1ccccc1N1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000459347593 489728387 /nfs/dbraw/zinc/72/83/87/489728387.db2.gz YENXCVDEMINEGH-UHFFFAOYSA-N 2 2 363.487 0.693 10 0 FCAELP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418822636 489738981 /nfs/dbraw/zinc/73/89/81/489738981.db2.gz AXMIWJQOFFQAGU-ROUUACIJSA-N 2 2 374.485 0.262 10 0 FCAELP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418822636 489738983 /nfs/dbraw/zinc/73/89/83/489738983.db2.gz AXMIWJQOFFQAGU-ROUUACIJSA-N 2 2 374.485 0.262 10 0 FCAELP C[C@H]1CN(c2nc3ccccc3nc2N2CC[NH+](C)CC2)CC[N@@H+]1CCO ZINC000490044819 489742428 /nfs/dbraw/zinc/74/24/28/489742428.db2.gz NJHASDUKPHXEGV-INIZCTEOSA-N 2 2 370.501 0.884 10 0 FCAELP C[C@H]1CN(c2nc3ccccc3nc2N2CC[NH+](C)CC2)CC[N@H+]1CCO ZINC000490044819 489742433 /nfs/dbraw/zinc/74/24/33/489742433.db2.gz NJHASDUKPHXEGV-INIZCTEOSA-N 2 2 370.501 0.884 10 0 FCAELP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@H](CO)c2ccnn2C)CC1 ZINC000459757796 489752031 /nfs/dbraw/zinc/75/20/31/489752031.db2.gz UUIWZGRMZXEGBY-GOSISDBHSA-N 2 2 371.485 0.696 10 0 FCAELP COc1cccc([C@@H]2[C@H](NC(=O)C(=O)N3CC[NH2+]CC3)CC[N@@H+]2C2CC2)c1 ZINC000418879644 489772689 /nfs/dbraw/zinc/77/26/89/489772689.db2.gz NLVLFJCBUIYNBM-QZTJIDSGSA-N 2 2 372.469 0.521 10 0 FCAELP COc1cccc([C@@H]2[C@H](NC(=O)C(=O)N3CC[NH2+]CC3)CC[N@H+]2C2CC2)c1 ZINC000418879644 489772691 /nfs/dbraw/zinc/77/26/91/489772691.db2.gz NLVLFJCBUIYNBM-QZTJIDSGSA-N 2 2 372.469 0.521 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418902059 489783265 /nfs/dbraw/zinc/78/32/65/489783265.db2.gz GPERNYGVPOVCHP-DFBGVHRSSA-N 2 2 368.840 0.900 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418902059 489783270 /nfs/dbraw/zinc/78/32/70/489783270.db2.gz GPERNYGVPOVCHP-DFBGVHRSSA-N 2 2 368.840 0.900 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000418906472 489785777 /nfs/dbraw/zinc/78/57/77/489785777.db2.gz KXSJWUZWDYQJQD-TUKIKUTGSA-N 2 2 368.840 0.819 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000418906472 489785785 /nfs/dbraw/zinc/78/57/85/489785785.db2.gz KXSJWUZWDYQJQD-TUKIKUTGSA-N 2 2 368.840 0.819 10 0 FCAELP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000418914154 489788678 /nfs/dbraw/zinc/78/86/78/489788678.db2.gz SZJXBNCXEVWEMV-HUUCEWRRSA-N 2 2 352.866 0.927 10 0 FCAELP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000418914154 489788682 /nfs/dbraw/zinc/78/86/82/489788682.db2.gz SZJXBNCXEVWEMV-HUUCEWRRSA-N 2 2 352.866 0.927 10 0 FCAELP C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418913759 489789026 /nfs/dbraw/zinc/78/90/26/489789026.db2.gz SWCRJVLDMIEMKO-HOTGVXAUSA-N 2 2 368.428 0.894 10 0 FCAELP C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418913759 489789028 /nfs/dbraw/zinc/78/90/28/489789028.db2.gz SWCRJVLDMIEMKO-HOTGVXAUSA-N 2 2 368.428 0.894 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)[C@@H](C)C[NH2+]1 ZINC000418916280 489789615 /nfs/dbraw/zinc/78/96/15/489789615.db2.gz RILRORRIYQUJOA-CVEARBPZSA-N 2 2 374.485 0.344 10 0 FCAELP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)C[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000475019392 489802548 /nfs/dbraw/zinc/80/25/48/489802548.db2.gz UEZYIMXTYXPSCV-WBVHZDCISA-N 2 2 367.515 0.772 10 0 FCAELP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)C[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000475019392 489802550 /nfs/dbraw/zinc/80/25/50/489802550.db2.gz UEZYIMXTYXPSCV-WBVHZDCISA-N 2 2 367.515 0.772 10 0 FCAELP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418993165 489812560 /nfs/dbraw/zinc/81/25/60/489812560.db2.gz KKGWEOUZDIBWOM-GASCZTMLSA-N 2 2 355.442 0.814 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])CC2)cc[nH+]1 ZINC000420008520 489879579 /nfs/dbraw/zinc/87/95/79/489879579.db2.gz BSKKIEOBHXFVHO-LSDHHAIUSA-N 2 2 360.462 0.067 10 0 FCAELP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000420022401 489883397 /nfs/dbraw/zinc/88/33/97/489883397.db2.gz VWDMZSMJERVIOR-ZDUSSCGKSA-N 2 2 368.865 0.326 10 0 FCAELP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000420101127 489911967 /nfs/dbraw/zinc/91/19/67/489911967.db2.gz LSMKHTBMEQQWPC-WMZOPIPTSA-N 2 2 374.485 0.324 10 0 FCAELP C[C@@]1(CNC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CCC[NH2+]C1 ZINC000420104898 489913515 /nfs/dbraw/zinc/91/35/15/489913515.db2.gz PREFEVMWRSZYDH-QFBILLFUSA-N 2 2 366.506 0.206 10 0 FCAELP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C(=O)N(C)CC(=O)NC2CC2)CC1 ZINC000476815530 489917857 /nfs/dbraw/zinc/91/78/57/489917857.db2.gz CATUEQWPZXMAOH-HNNXBMFYSA-N 2 2 368.522 0.591 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000420121551 489920253 /nfs/dbraw/zinc/92/02/53/489920253.db2.gz KNMRIRNLSQUEBT-OAHLLOKOSA-N 2 2 362.474 0.503 10 0 FCAELP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420372969 489968437 /nfs/dbraw/zinc/96/84/37/489968437.db2.gz MQFXLASUWAFIHN-DYVFJYSZSA-N 2 2 366.487 0.737 10 0 FCAELP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420372969 489968439 /nfs/dbraw/zinc/96/84/39/489968439.db2.gz MQFXLASUWAFIHN-DYVFJYSZSA-N 2 2 366.487 0.737 10 0 FCAELP Cn1cc[nH+]c1CN(C(=O)C[NH2+]C[C@H]1CCCO1)[C@H]1CC12CC[NH2+]CC2 ZINC000435560951 490005607 /nfs/dbraw/zinc/00/56/07/490005607.db2.gz YNFQLSOLLWUKRH-CVEARBPZSA-N 3 2 361.490 0.659 10 0 FCAELP CC[N@H+](CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@@H]1CCOC1 ZINC000463434823 490017120 /nfs/dbraw/zinc/01/71/20/490017120.db2.gz PYGFQMYKJAJEOU-CQSZACIVSA-N 2 2 373.461 0.123 10 0 FCAELP CC[N@@H+](CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@@H]1CCOC1 ZINC000463434823 490017124 /nfs/dbraw/zinc/01/71/24/490017124.db2.gz PYGFQMYKJAJEOU-CQSZACIVSA-N 2 2 373.461 0.123 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000556098463 491294845 /nfs/dbraw/zinc/29/48/45/491294845.db2.gz QPOVCICVFPYYSS-INIZCTEOSA-N 2 2 359.474 0.897 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000556098463 491294847 /nfs/dbraw/zinc/29/48/47/491294847.db2.gz QPOVCICVFPYYSS-INIZCTEOSA-N 2 2 359.474 0.897 10 0 FCAELP O=C1C[C@@H]([NH2+]Cc2ccc(-c3cc[nH]n3)o2)CN1CC[NH+]1CCOCC1 ZINC000378220715 490030562 /nfs/dbraw/zinc/03/05/62/490030562.db2.gz FGUBIXCWPGOFRZ-CQSZACIVSA-N 2 2 359.430 0.692 10 0 FCAELP CNC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000420978553 490038057 /nfs/dbraw/zinc/03/80/57/490038057.db2.gz RWXJSCZBPPDTNM-AWEZNQCLSA-N 2 2 350.488 0.460 10 0 FCAELP CNC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000420978553 490038059 /nfs/dbraw/zinc/03/80/59/490038059.db2.gz RWXJSCZBPPDTNM-AWEZNQCLSA-N 2 2 350.488 0.460 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@]3(CNC(=O)C3)C2)C1 ZINC000464797816 490068749 /nfs/dbraw/zinc/06/87/49/490068749.db2.gz GWJFTCAVOXCCHL-LPHOPBHVSA-N 2 2 366.506 0.062 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@]3(CNC(=O)C3)C2)C1 ZINC000464797816 490068755 /nfs/dbraw/zinc/06/87/55/490068755.db2.gz GWJFTCAVOXCCHL-LPHOPBHVSA-N 2 2 366.506 0.062 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@]3(CNC(=O)C3)C2)C1 ZINC000464797816 490068762 /nfs/dbraw/zinc/06/87/62/490068762.db2.gz GWJFTCAVOXCCHL-LPHOPBHVSA-N 2 2 366.506 0.062 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC[C@]3(CNC(=O)C3)C2)C1 ZINC000464797816 490068765 /nfs/dbraw/zinc/06/87/65/490068765.db2.gz GWJFTCAVOXCCHL-LPHOPBHVSA-N 2 2 366.506 0.062 10 0 FCAELP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCN(CC(N)=O)CC2)CC1 ZINC000506246450 490078096 /nfs/dbraw/zinc/07/80/96/490078096.db2.gz OXOIXFFCAZUTFG-UHFFFAOYSA-N 2 2 359.518 0.822 10 0 FCAELP CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000479557134 490103463 /nfs/dbraw/zinc/10/34/63/490103463.db2.gz NMRKELHMKUPBDF-INIZCTEOSA-N 2 2 372.535 0.133 10 0 FCAELP CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000479557134 490103473 /nfs/dbraw/zinc/10/34/73/490103473.db2.gz NMRKELHMKUPBDF-INIZCTEOSA-N 2 2 372.535 0.133 10 0 FCAELP CC[NH+]1CCN(C(=O)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000556226819 491304265 /nfs/dbraw/zinc/30/42/65/491304265.db2.gz BHZISMYWAFHPIV-UHFFFAOYSA-N 2 2 355.442 0.712 10 0 FCAELP Cc1[nH+]ccn1CCNC(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000556230303 491304292 /nfs/dbraw/zinc/30/42/92/491304292.db2.gz OGYSEGGKLCZTIN-UHFFFAOYSA-N 2 2 366.425 0.869 10 0 FCAELP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000521008004 490214358 /nfs/dbraw/zinc/21/43/58/490214358.db2.gz IDGJARVWUUEGDB-UONOGXRCSA-N 2 2 373.448 0.322 10 0 FCAELP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCCc1cn(C)c[nH+]1)c1ccco1 ZINC000422266534 490216575 /nfs/dbraw/zinc/21/65/75/490216575.db2.gz KGOAWFOXKODTFN-HNNXBMFYSA-N 2 2 361.446 0.871 10 0 FCAELP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000556308377 491308878 /nfs/dbraw/zinc/30/88/78/491308878.db2.gz DVOMRGDKEPPSSO-CQSZACIVSA-N 2 2 372.429 0.140 10 0 FCAELP C[C@@H]1OCC[C@H]1[N@H+](CCO)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000483291017 490302046 /nfs/dbraw/zinc/30/20/46/490302046.db2.gz CWFAAXOMZBMSRQ-DOTOQJQBSA-N 2 2 367.515 0.864 10 0 FCAELP C[C@@H]1OCC[C@H]1[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000483291017 490302053 /nfs/dbraw/zinc/30/20/53/490302053.db2.gz CWFAAXOMZBMSRQ-DOTOQJQBSA-N 2 2 367.515 0.864 10 0 FCAELP C[C@@H]1OCC[C@@H]1[N@H+](CCO)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000483300055 490305162 /nfs/dbraw/zinc/30/51/62/490305162.db2.gz XLIQAUHXGWSZPN-IRXDYDNUSA-N 2 2 362.474 0.592 10 0 FCAELP C[C@@H]1OCC[C@@H]1[N@@H+](CCO)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000483300055 490305167 /nfs/dbraw/zinc/30/51/67/490305167.db2.gz XLIQAUHXGWSZPN-IRXDYDNUSA-N 2 2 362.474 0.592 10 0 FCAELP C[C@@H]1C[N@H+](C)CCN1c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000408431581 490334409 /nfs/dbraw/zinc/33/44/09/490334409.db2.gz ARDDHPKRJWKZOP-CQSZACIVSA-N 2 2 353.492 0.158 10 0 FCAELP C[C@@H]1C[N@@H+](C)CCN1c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000408431581 490334413 /nfs/dbraw/zinc/33/44/13/490334413.db2.gz ARDDHPKRJWKZOP-CQSZACIVSA-N 2 2 353.492 0.158 10 0 FCAELP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000422470484 490341838 /nfs/dbraw/zinc/34/18/38/490341838.db2.gz GEPCKZSXJOSOOR-UHFFFAOYSA-N 2 2 373.457 0.520 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000422474143 490343284 /nfs/dbraw/zinc/34/32/84/490343284.db2.gz GNHJEKMOCGSQKQ-INIZCTEOSA-N 2 2 361.421 0.637 10 0 FCAELP CCC[C@H]1CN(C(=O)C(=O)NCCc2cn(C)c[nH+]2)CC[N@@H+]1CCOC ZINC000422479954 490347758 /nfs/dbraw/zinc/34/77/58/490347758.db2.gz SUBOBBPYHSHPFN-INIZCTEOSA-N 2 2 365.478 0.038 10 0 FCAELP CCC[C@H]1CN(C(=O)C(=O)NCCc2cn(C)c[nH+]2)CC[N@H+]1CCOC ZINC000422479954 490347763 /nfs/dbraw/zinc/34/77/63/490347763.db2.gz SUBOBBPYHSHPFN-INIZCTEOSA-N 2 2 365.478 0.038 10 0 FCAELP CCC(=O)N1CSC[C@H]1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000522191254 490351716 /nfs/dbraw/zinc/35/17/16/490351716.db2.gz NCVMUNLVSYYLHM-HNNXBMFYSA-N 2 2 356.536 0.782 10 0 FCAELP CCC(=O)N1CSC[C@H]1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000522191254 490351718 /nfs/dbraw/zinc/35/17/18/490351718.db2.gz NCVMUNLVSYYLHM-HNNXBMFYSA-N 2 2 356.536 0.782 10 0 FCAELP Cc1cc(N2CC[NH+](C)CC2)ccc1NC[C@H](O)CN1CC[NH+](C)CC1 ZINC000571671328 491322245 /nfs/dbraw/zinc/32/22/45/491322245.db2.gz BCLQPJDQKMHUPI-IBGZPJMESA-N 2 2 361.534 0.767 10 0 FCAELP Cc1cc(N2CCN(C(=O)C[N@H+]3C[C@H](O)[C@@H](C)C3)CC2)nc(C(C)C)[nH+]1 ZINC000509133749 490393163 /nfs/dbraw/zinc/39/31/63/490393163.db2.gz BBERODZYJOOLII-HOCLYGCPSA-N 2 2 361.490 0.870 10 0 FCAELP Cc1cc(N2CCN(C(=O)C[N@@H+]3C[C@H](O)[C@@H](C)C3)CC2)nc(C(C)C)[nH+]1 ZINC000509133749 490393164 /nfs/dbraw/zinc/39/31/64/490393164.db2.gz BBERODZYJOOLII-HOCLYGCPSA-N 2 2 361.490 0.870 10 0 FCAELP Cc1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)ccc1C[NH+](C)C ZINC000411374285 490441547 /nfs/dbraw/zinc/44/15/47/490441547.db2.gz LKZJLJSXXWBHDM-OAHLLOKOSA-N 2 2 362.474 0.520 10 0 FCAELP Cc1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)ccc1C[NH+](C)C ZINC000411374285 490441555 /nfs/dbraw/zinc/44/15/55/490441555.db2.gz LKZJLJSXXWBHDM-OAHLLOKOSA-N 2 2 362.474 0.520 10 0 FCAELP c1cc(N2CCN(CCC[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)CC2)cc[nH+]1 ZINC000422843102 490485498 /nfs/dbraw/zinc/48/54/98/490485498.db2.gz HASBATVCYQAAGC-VQTJNVASSA-N 3 2 359.518 0.950 10 0 FCAELP O[C@H](C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)COc1ccc2c(c1)OCO2 ZINC000422893498 490492807 /nfs/dbraw/zinc/49/28/07/490492807.db2.gz AASMTYAGLANLCN-JEBQAFNWSA-N 2 2 350.415 0.512 10 0 FCAELP CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422939553 490502946 /nfs/dbraw/zinc/50/29/46/490502946.db2.gz MBWGRDKXVSMOKZ-DLBZAZTESA-N 2 2 353.488 0.794 10 0 FCAELP C[NH+](C)C1(CNC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CCC1 ZINC000500464137 490520955 /nfs/dbraw/zinc/52/09/55/490520955.db2.gz GFJWGWRFWBCRHP-INIZCTEOSA-N 2 2 366.506 0.300 10 0 FCAELP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCn2nc3ccccn3c2=O)CC1 ZINC000501107998 490579881 /nfs/dbraw/zinc/57/98/81/490579881.db2.gz POAAIYZXEQYZNU-ROUUACIJSA-N 2 2 372.517 0.986 10 0 FCAELP C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](C[NH2+]CC2(C)COC2)CC3)CC1 ZINC000556838652 491340090 /nfs/dbraw/zinc/34/00/90/491340090.db2.gz YLTWMXFXAIIQNA-HNNXBMFYSA-N 2 2 361.490 0.459 10 0 FCAELP C[NH+](C)CCCN1C(=O)C[C@@H]([NH+]2CCN(c3ccc(F)cn3)CC2)C1=O ZINC000536994811 490632022 /nfs/dbraw/zinc/63/20/22/490632022.db2.gz UZNVQFCFDPPOCY-OAHLLOKOSA-N 2 2 363.437 0.422 10 0 FCAELP O=C(NCCCC[NH+]1CCOCC1)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000537212840 490661470 /nfs/dbraw/zinc/66/14/70/490661470.db2.gz PZSOMDDZGJUDBR-UHFFFAOYSA-N 2 2 362.474 0.756 10 0 FCAELP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000565029593 491346356 /nfs/dbraw/zinc/34/63/56/491346356.db2.gz ALMVDGCEXWIEGY-IRXDYDNUSA-N 2 2 363.458 0.765 10 0 FCAELP Cn1ncc(Br)c1C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000487324052 490704054 /nfs/dbraw/zinc/70/40/54/490704054.db2.gz OTZZWZXZOMNRKK-NSHDSACASA-N 2 2 358.284 0.860 10 0 FCAELP Cn1ncc(Br)c1C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000487324052 490704055 /nfs/dbraw/zinc/70/40/55/490704055.db2.gz OTZZWZXZOMNRKK-NSHDSACASA-N 2 2 358.284 0.860 10 0 FCAELP C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000503514844 490760450 /nfs/dbraw/zinc/76/04/50/490760450.db2.gz BFVUMUXILBHJAG-WMZOPIPTSA-N 2 2 358.486 0.917 10 0 FCAELP C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000503514844 490760452 /nfs/dbraw/zinc/76/04/52/490760452.db2.gz BFVUMUXILBHJAG-WMZOPIPTSA-N 2 2 358.486 0.917 10 0 FCAELP CC(C)(NC(=O)Cn1cc[nH+]c1)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000565095998 491353062 /nfs/dbraw/zinc/35/30/62/491353062.db2.gz BWGSBFZJPOPLSC-UHFFFAOYSA-N 2 2 358.446 0.913 10 0 FCAELP C[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000488785569 490775474 /nfs/dbraw/zinc/77/54/74/490775474.db2.gz RRMBPLXAWCNLDU-VQIMIIECSA-N 2 2 361.486 0.838 10 0 FCAELP C[C@@H]1[C@@H](CO)CC[N@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000488785569 490775478 /nfs/dbraw/zinc/77/54/78/490775478.db2.gz RRMBPLXAWCNLDU-VQIMIIECSA-N 2 2 361.486 0.838 10 0 FCAELP COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000540885118 490838392 /nfs/dbraw/zinc/83/83/92/490838392.db2.gz ZEYTWGHTARBNCG-ZDUSSCGKSA-N 2 2 360.462 0.875 10 0 FCAELP COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000540885118 490838393 /nfs/dbraw/zinc/83/83/93/490838393.db2.gz ZEYTWGHTARBNCG-ZDUSSCGKSA-N 2 2 360.462 0.875 10 0 FCAELP O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000516056465 490847779 /nfs/dbraw/zinc/84/77/79/490847779.db2.gz URDKFJJFEIHBLR-OAHLLOKOSA-N 2 2 355.446 0.824 10 0 FCAELP C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)c2[nH+]ccn21 ZINC000529330197 490853551 /nfs/dbraw/zinc/85/35/51/490853551.db2.gz JZVAEYGGJXNXGX-ZIAGYGMSSA-N 2 2 361.450 0.241 10 0 FCAELP CCC[N@H+](CC)CCNC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000541190279 490854246 /nfs/dbraw/zinc/85/42/46/490854246.db2.gz WNJQPLMDEINUEU-HNNXBMFYSA-N 2 2 364.494 0.942 10 0 FCAELP CCC[N@@H+](CC)CCNC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000541190279 490854248 /nfs/dbraw/zinc/85/42/48/490854248.db2.gz WNJQPLMDEINUEU-HNNXBMFYSA-N 2 2 364.494 0.942 10 0 FCAELP C[N@@H+]1CCN(C(=O)NCCc2cccc3c2OC(F)(F)O3)[C@H](C[NH3+])C1 ZINC000529350056 490855902 /nfs/dbraw/zinc/85/59/02/490855902.db2.gz MZMDCZWTLGMHRH-GFCCVEGCSA-N 2 2 356.373 0.835 10 0 FCAELP C[N@H+]1CCN(C(=O)NCCc2cccc3c2OC(F)(F)O3)[C@H](C[NH3+])C1 ZINC000529350056 490855904 /nfs/dbraw/zinc/85/59/04/490855904.db2.gz MZMDCZWTLGMHRH-GFCCVEGCSA-N 2 2 356.373 0.835 10 0 FCAELP C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530225510 490893514 /nfs/dbraw/zinc/89/35/14/490893514.db2.gz ZXXUGQWTOWAJRY-INIZCTEOSA-N 2 2 365.522 0.809 10 0 FCAELP O=C(N1CC[NH2+]CC1)N1CC[NH+](CCc2nc(-c3ccccc3)no2)CC1 ZINC000530225486 490893579 /nfs/dbraw/zinc/89/35/79/490893579.db2.gz YZPUVNGREYYTIU-UHFFFAOYSA-N 2 2 370.457 0.922 10 0 FCAELP Cn1cc(-c2cc(C[NH+]3CCN(C(=O)N4CC[NH2+]CC4)CC3)on2)cn1 ZINC000530223036 490893833 /nfs/dbraw/zinc/89/38/33/490893833.db2.gz LLDPLHRUNQEXNA-UHFFFAOYSA-N 2 2 359.434 0.218 10 0 FCAELP C(O[C@H]1CC[NH2+]C1)C1CC[NH+](Cc2nnnn2CC2CCOCC2)CC1 ZINC000530241753 490895066 /nfs/dbraw/zinc/89/50/66/490895066.db2.gz QRVIWADTQZTNFG-KRWDZBQOSA-N 2 2 364.494 0.690 10 0 FCAELP C[C@H](CNC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)[N@H+](C)C1CC1 ZINC000543042476 490919576 /nfs/dbraw/zinc/91/95/76/490919576.db2.gz XZOYTDMKWPQUMV-UKRRQHHQSA-N 2 2 362.478 0.693 10 0 FCAELP C[C@H](CNC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)[N@@H+](C)C1CC1 ZINC000543042476 490919578 /nfs/dbraw/zinc/91/95/78/490919578.db2.gz XZOYTDMKWPQUMV-UKRRQHHQSA-N 2 2 362.478 0.693 10 0 FCAELP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CC[N@@H+]1C ZINC000543044511 490919867 /nfs/dbraw/zinc/91/98/67/490919867.db2.gz PENXLPMATCGTKA-QLFBSQMISA-N 2 2 362.478 0.693 10 0 FCAELP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CC[N@H+]1C ZINC000543044511 490919868 /nfs/dbraw/zinc/91/98/68/490919868.db2.gz PENXLPMATCGTKA-QLFBSQMISA-N 2 2 362.478 0.693 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000543043798 490919899 /nfs/dbraw/zinc/91/98/99/490919899.db2.gz LNWXFXMJTAJFHP-ZBFHGGJFSA-N 2 2 374.489 0.695 10 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DGHOHTOYJSXICJ-NCOADZHNSA-N 2 2 368.522 0.591 10 0 FCAELP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656308698 492583336 /nfs/dbraw/zinc/58/33/36/492583336.db2.gz DGHOHTOYJSXICJ-NCOADZHNSA-N 2 2 368.522 0.591 10 0 FCAELP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656308698 492583340 /nfs/dbraw/zinc/58/33/40/492583340.db2.gz DGHOHTOYJSXICJ-NCOADZHNSA-N 2 2 368.522 0.591 10 0 FCAELP CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000629520523 492637169 /nfs/dbraw/zinc/63/71/69/492637169.db2.gz YJAVFVRTSHXYFL-CYBMUJFWSA-N 2 2 364.412 0.684 10 0 FCAELP CCCN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000629520523 492637171 /nfs/dbraw/zinc/63/71/71/492637171.db2.gz YJAVFVRTSHXYFL-CYBMUJFWSA-N 2 2 364.412 0.684 10 0 FCAELP Cc1cc(C(=O)N2CC[N@H+](CCC(=O)N3CC[NH+](C)CC3)[C@H](C)C2)[nH]n1 ZINC000656631387 492639747 /nfs/dbraw/zinc/63/97/47/492639747.db2.gz UHPXGSFUXAFZIE-OAHLLOKOSA-N 2 2 362.478 0.029 10 0 FCAELP Cc1cc(C(=O)N2CC[N@@H+](CCC(=O)N3CC[NH+](C)CC3)[C@H](C)C2)[nH]n1 ZINC000656631387 492639752 /nfs/dbraw/zinc/63/97/52/492639752.db2.gz UHPXGSFUXAFZIE-OAHLLOKOSA-N 2 2 362.478 0.029 10 0 FCAELP Cc1cc(C(=O)N2CC[N@H+](CCC(=O)N3CC[NH+](C)CC3)[C@H](C)C2)n[nH]1 ZINC000656631387 492639755 /nfs/dbraw/zinc/63/97/55/492639755.db2.gz UHPXGSFUXAFZIE-OAHLLOKOSA-N 2 2 362.478 0.029 10 0 FCAELP Cc1cc(C(=O)N2CC[N@@H+](CCC(=O)N3CC[NH+](C)CC3)[C@H](C)C2)n[nH]1 ZINC000656631387 492639758 /nfs/dbraw/zinc/63/97/58/492639758.db2.gz UHPXGSFUXAFZIE-OAHLLOKOSA-N 2 2 362.478 0.029 10 0 FCAELP O=C(N1CC[NH2+]CC1)N1CC[NH+](CCOCCOc2ccccc2)CC1 ZINC000629546209 492643742 /nfs/dbraw/zinc/64/37/42/492643742.db2.gz QFWWTKISQJJPRU-UHFFFAOYSA-N 2 2 362.474 0.725 10 0 FCAELP C[NH+](C)CCN1CCN(C(=O)NCCc2cn3ccccc3[nH+]2)CC1=O ZINC000650604551 492654850 /nfs/dbraw/zinc/65/48/50/492654850.db2.gz FTQWGJWCSDVZDT-UHFFFAOYSA-N 2 2 358.446 0.292 10 0 FCAELP C[C@H]1CCN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C[C@H]1n1cc[nH+]c1 ZINC000629802745 492679776 /nfs/dbraw/zinc/67/97/76/492679776.db2.gz PESWUBGYCICTHI-QGWWYQLQSA-N 2 2 359.474 0.751 10 0 FCAELP C[NH+]1CCC(CNC(=O)NCC[C@@]2(O)CCOC2)([NH+]2CCCCC2)CC1 ZINC000650932286 492685472 /nfs/dbraw/zinc/68/54/72/492685472.db2.gz CNWCHNNUBDMXEO-LJQANCHMSA-N 2 2 368.522 0.777 10 0 FCAELP O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)N1CC[NH+]2CCC1CC2 ZINC000624938288 492699309 /nfs/dbraw/zinc/69/93/09/492699309.db2.gz ZUOODGBSHPIIBY-GOSISDBHSA-N 2 2 359.474 0.772 10 0 FCAELP O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)N1CC[NH+]2CCC1CC2 ZINC000624938288 492699312 /nfs/dbraw/zinc/69/93/12/492699312.db2.gz ZUOODGBSHPIIBY-GOSISDBHSA-N 2 2 359.474 0.772 10 0 FCAELP Cn1cnc2cc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc21 ZINC000657091274 492715646 /nfs/dbraw/zinc/71/56/46/492715646.db2.gz LLSKXNBUATUOJZ-UHFFFAOYSA-N 2 2 353.492 0.735 10 0 FCAELP Cn1cnc2cc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc21 ZINC000657091274 492715649 /nfs/dbraw/zinc/71/56/49/492715649.db2.gz LLSKXNBUATUOJZ-UHFFFAOYSA-N 2 2 353.492 0.735 10 0 FCAELP CC[C@H]1C[C@H]([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CO1 ZINC000657318976 492748956 /nfs/dbraw/zinc/74/89/56/492748956.db2.gz XOCIUECKSCDAQW-HOTGVXAUSA-N 2 2 368.503 0.691 10 0 FCAELP COCCOCC[NH+]1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000651486299 492767054 /nfs/dbraw/zinc/76/70/54/492767054.db2.gz XALHSQFMTCQYQX-UHFFFAOYSA-N 2 2 351.451 0.098 10 0 FCAELP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C2([NH+]3CCOCC3)CC2)CC1 ZINC000631141834 492799434 /nfs/dbraw/zinc/79/94/34/492799434.db2.gz YBOAIUFMAHYWST-KRWDZBQOSA-N 2 2 350.507 0.480 10 0 FCAELP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C2([NH+]3CCOCC3)CC2)CC1 ZINC000631141834 492799437 /nfs/dbraw/zinc/79/94/37/492799437.db2.gz YBOAIUFMAHYWST-KRWDZBQOSA-N 2 2 350.507 0.480 10 0 FCAELP C[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000644710876 492799930 /nfs/dbraw/zinc/79/99/30/492799930.db2.gz MHTHXQPZIYGXEC-IAGOWNOFSA-N 2 2 355.504 0.445 10 0 FCAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000644710876 492799934 /nfs/dbraw/zinc/79/99/34/492799934.db2.gz MHTHXQPZIYGXEC-IAGOWNOFSA-N 2 2 355.504 0.445 10 0 FCAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000644710876 492799937 /nfs/dbraw/zinc/79/99/37/492799937.db2.gz MHTHXQPZIYGXEC-IAGOWNOFSA-N 2 2 355.504 0.445 10 0 FCAELP C[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000644710885 492799961 /nfs/dbraw/zinc/79/99/61/492799961.db2.gz MHTHXQPZIYGXEC-SJORKVTESA-N 2 2 355.504 0.445 10 0 FCAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000644710885 492799965 /nfs/dbraw/zinc/79/99/65/492799965.db2.gz MHTHXQPZIYGXEC-SJORKVTESA-N 2 2 355.504 0.445 10 0 FCAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000644710885 492799969 /nfs/dbraw/zinc/79/99/69/492799969.db2.gz MHTHXQPZIYGXEC-SJORKVTESA-N 2 2 355.504 0.445 10 0 FCAELP O=C(C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000657874193 492807938 /nfs/dbraw/zinc/80/79/38/492807938.db2.gz QLWCINMVZVMISD-UHFFFAOYSA-N 2 2 368.441 0.860 10 0 FCAELP O=C(C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000657874193 492807940 /nfs/dbraw/zinc/80/79/40/492807940.db2.gz QLWCINMVZVMISD-UHFFFAOYSA-N 2 2 368.441 0.860 10 0 FCAELP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCc1nn[nH]n1 ZINC000631660818 492831668 /nfs/dbraw/zinc/83/16/68/492831668.db2.gz ZBUGCZQFJTUQPP-UHFFFAOYSA-N 2 2 363.510 0.787 10 0 FCAELP COc1cccc([C@@H](CNS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)[NH+](C)C)c1 ZINC000631665716 492832637 /nfs/dbraw/zinc/83/26/37/492832637.db2.gz YRGJRSZDNNAQOM-DLBZAZTESA-N 2 2 371.503 0.548 10 0 FCAELP COc1cccc([C@@H](CNS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)[NH+](C)C)c1 ZINC000631665716 492832640 /nfs/dbraw/zinc/83/26/40/492832640.db2.gz YRGJRSZDNNAQOM-DLBZAZTESA-N 2 2 371.503 0.548 10 0 FCAELP C[C@@H](CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000631724198 492840743 /nfs/dbraw/zinc/84/07/43/492840743.db2.gz YQVSFSHKARGORP-MAUKXSAKSA-N 2 2 367.515 0.683 10 0 FCAELP C[C@@H](CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000631724198 492840746 /nfs/dbraw/zinc/84/07/46/492840746.db2.gz YQVSFSHKARGORP-MAUKXSAKSA-N 2 2 367.515 0.683 10 0 FCAELP C[C@@H](CNS(=O)(=O)C[C@H]1C[NH+](C)CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000631724198 492840750 /nfs/dbraw/zinc/84/07/50/492840750.db2.gz YQVSFSHKARGORP-MAUKXSAKSA-N 2 2 367.515 0.683 10 0 FCAELP C[C@@H](CNS(=O)(=O)C[C@H]1C[NH+](C)CCO1)[N@H+]1CCc2ccccc2C1 ZINC000631724198 492840752 /nfs/dbraw/zinc/84/07/52/492840752.db2.gz YQVSFSHKARGORP-MAUKXSAKSA-N 2 2 367.515 0.683 10 0 FCAELP C[N@@H+]1CCO[C@H](CS(=O)(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000631770489 492849936 /nfs/dbraw/zinc/84/99/36/492849936.db2.gz FYSRVKPWPKAQMV-KRWDZBQOSA-N 2 2 368.503 0.296 10 0 FCAELP C[N@H+]1CCO[C@H](CS(=O)(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000631770489 492849940 /nfs/dbraw/zinc/84/99/40/492849940.db2.gz FYSRVKPWPKAQMV-KRWDZBQOSA-N 2 2 368.503 0.296 10 0 FCAELP CCN(CC(F)(F)F)C(=O)C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000631827054 492858819 /nfs/dbraw/zinc/85/88/19/492858819.db2.gz DGBZJDFTGPVBPE-UHFFFAOYSA-N 2 2 374.411 0.972 10 0 FCAELP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000645133162 492870905 /nfs/dbraw/zinc/87/09/05/492870905.db2.gz POIWWENUDQUGLZ-AWEZNQCLSA-N 2 2 362.478 0.523 10 0 FCAELP Cc1nocc1C[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000645177278 492875309 /nfs/dbraw/zinc/87/53/09/492875309.db2.gz IMUVFVQXFMHIHD-OAHLLOKOSA-N 2 2 372.473 0.919 10 0 FCAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000645184075 492876251 /nfs/dbraw/zinc/87/62/51/492876251.db2.gz OEKHUEAJCGOFDH-RTBURBONSA-N 2 2 359.474 0.900 10 0 FCAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000645184075 492876253 /nfs/dbraw/zinc/87/62/53/492876253.db2.gz OEKHUEAJCGOFDH-RTBURBONSA-N 2 2 359.474 0.900 10 0 FCAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000645184075 492876257 /nfs/dbraw/zinc/87/62/57/492876257.db2.gz OEKHUEAJCGOFDH-RTBURBONSA-N 2 2 359.474 0.900 10 0 FCAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000645184075 492876260 /nfs/dbraw/zinc/87/62/60/492876260.db2.gz OEKHUEAJCGOFDH-RTBURBONSA-N 2 2 359.474 0.900 10 0 FCAELP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC1 ZINC000625746596 492877329 /nfs/dbraw/zinc/87/73/29/492877329.db2.gz HBMAOPTZDMDSPW-UHFFFAOYSA-N 2 2 366.506 0.252 10 0 FCAELP CCC(CC)[C@H](CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000631911631 492877717 /nfs/dbraw/zinc/87/77/17/492877717.db2.gz MGDFOICMIQBCMD-HOTGVXAUSA-N 2 2 363.524 0.031 10 0 FCAELP CCO[C@@H]1CN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)C[C@H]1C[NH3+] ZINC000652126489 492883847 /nfs/dbraw/zinc/88/38/47/492883847.db2.gz JPHVJDGWKOQEEV-HZPDHXFCSA-N 2 2 363.462 0.423 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(-c2nnco2)c1 ZINC000658426016 492884929 /nfs/dbraw/zinc/88/49/29/492884929.db2.gz FLFMOADMVFXJJV-UHFFFAOYSA-N 2 2 374.445 0.675 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(-c2nnco2)c1 ZINC000658426016 492884932 /nfs/dbraw/zinc/88/49/32/492884932.db2.gz FLFMOADMVFXJJV-UHFFFAOYSA-N 2 2 374.445 0.675 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1-n1cccn1 ZINC000658428219 492886730 /nfs/dbraw/zinc/88/67/30/492886730.db2.gz UNZLEFNFZXMTNB-UHFFFAOYSA-N 2 2 372.473 0.811 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1-n1cccn1 ZINC000658428219 492886733 /nfs/dbraw/zinc/88/67/33/492886733.db2.gz UNZLEFNFZXMTNB-UHFFFAOYSA-N 2 2 372.473 0.811 10 0 FCAELP COC1CC[NH+](C(C)(C)CNS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000631923728 492887159 /nfs/dbraw/zinc/88/71/59/492887159.db2.gz XNSIMQJWNAFJJL-HNNXBMFYSA-N 2 2 363.524 0.126 10 0 FCAELP COC1CC[NH+](C(C)(C)CNS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000631923728 492887162 /nfs/dbraw/zinc/88/71/62/492887162.db2.gz XNSIMQJWNAFJJL-HNNXBMFYSA-N 2 2 363.524 0.126 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1=O ZINC000652177483 492890751 /nfs/dbraw/zinc/89/07/51/492890751.db2.gz LWSRETIDMIMPNI-DOXZYTNZSA-N 2 2 374.489 0.682 10 0 FCAELP C[C@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[C@H]1CCC(=O)N1 ZINC000625856553 492894730 /nfs/dbraw/zinc/89/47/30/492894730.db2.gz APLDNMDHLPYKIF-JKSUJKDBSA-N 2 2 350.507 0.968 10 0 FCAELP C[NH2+]Cc1ccccc1CNC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000652292428 492907439 /nfs/dbraw/zinc/90/74/39/492907439.db2.gz PWIWQKXMCPAERR-UHFFFAOYSA-N 2 2 364.490 0.896 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC000652352131 492914379 /nfs/dbraw/zinc/91/43/79/492914379.db2.gz JZTHSOAWAFZKDU-SCTDSRPQSA-N 3 2 352.523 0.520 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC000652352131 492914383 /nfs/dbraw/zinc/91/43/83/492914383.db2.gz JZTHSOAWAFZKDU-SCTDSRPQSA-N 3 2 352.523 0.520 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC000652352131 492914385 /nfs/dbraw/zinc/91/43/85/492914385.db2.gz JZTHSOAWAFZKDU-SCTDSRPQSA-N 3 2 352.523 0.520 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC000652352131 492914389 /nfs/dbraw/zinc/91/43/89/492914389.db2.gz JZTHSOAWAFZKDU-SCTDSRPQSA-N 3 2 352.523 0.520 10 0 FCAELP CN1CC[N@H+](C)C[C@@H]1CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638140140 492917283 /nfs/dbraw/zinc/91/72/83/492917283.db2.gz VUNBYHDSTOIOCL-IBGZPJMESA-N 3 2 373.545 0.732 10 0 FCAELP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638140140 492917287 /nfs/dbraw/zinc/91/72/87/492917287.db2.gz VUNBYHDSTOIOCL-IBGZPJMESA-N 3 2 373.545 0.732 10 0 FCAELP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)N(C)CC2C[NH+](C)C2)C[C@H](C)O1 ZINC000658516468 492923750 /nfs/dbraw/zinc/92/37/50/492923750.db2.gz XRWUXUKHNYGLAB-HLLBOEOZSA-N 2 2 366.506 0.107 10 0 FCAELP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)N(C)CC2C[NH+](C)C2)C[C@H](C)O1 ZINC000658516468 492923751 /nfs/dbraw/zinc/92/37/51/492923751.db2.gz XRWUXUKHNYGLAB-HLLBOEOZSA-N 2 2 366.506 0.107 10 0 FCAELP C[N@@H+]1CC[C@H](NS(=O)(=O)C[C@@H]2C[NH+](C)CCO2)[C@H]1c1ccccc1 ZINC000632151101 492939626 /nfs/dbraw/zinc/93/96/26/492939626.db2.gz XSZGYYJHSLACPN-YESZJQIVSA-N 2 2 353.488 0.682 10 0 FCAELP C[N@H+]1CC[C@H](NS(=O)(=O)C[C@@H]2C[NH+](C)CCO2)[C@H]1c1ccccc1 ZINC000632151101 492939629 /nfs/dbraw/zinc/93/96/29/492939629.db2.gz XSZGYYJHSLACPN-YESZJQIVSA-N 2 2 353.488 0.682 10 0 FCAELP C[NH+]1CC[C@H](NS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)[C@H]1c1ccccc1 ZINC000632151101 492939631 /nfs/dbraw/zinc/93/96/31/492939631.db2.gz XSZGYYJHSLACPN-YESZJQIVSA-N 2 2 353.488 0.682 10 0 FCAELP C[NH+]1CC[C@H](NS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)[C@H]1c1ccccc1 ZINC000632151101 492939635 /nfs/dbraw/zinc/93/96/35/492939635.db2.gz XSZGYYJHSLACPN-YESZJQIVSA-N 2 2 353.488 0.682 10 0 FCAELP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cnc(C[NH3+])nc2)C1 ZINC000638430926 492946411 /nfs/dbraw/zinc/94/64/11/492946411.db2.gz RVZVGEZXQNWOQM-KRWDZBQOSA-N 2 2 354.458 0.481 10 0 FCAELP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cnc(C[NH3+])nc2)C1 ZINC000638430926 492946416 /nfs/dbraw/zinc/94/64/16/492946416.db2.gz RVZVGEZXQNWOQM-KRWDZBQOSA-N 2 2 354.458 0.481 10 0 FCAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)C[C@@H]1C[NH+](C)CCO1 ZINC000632217097 492952534 /nfs/dbraw/zinc/95/25/34/492952534.db2.gz SMRMLUPECSSABP-NJAFHUGGSA-N 2 2 367.515 0.757 10 0 FCAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)C[C@@H]1C[NH+](C)CCO1 ZINC000632217097 492952536 /nfs/dbraw/zinc/95/25/36/492952536.db2.gz SMRMLUPECSSABP-NJAFHUGGSA-N 2 2 367.515 0.757 10 0 FCAELP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632217097 492952541 /nfs/dbraw/zinc/95/25/41/492952541.db2.gz SMRMLUPECSSABP-NJAFHUGGSA-N 2 2 367.515 0.757 10 0 FCAELP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632217097 492952544 /nfs/dbraw/zinc/95/25/44/492952544.db2.gz SMRMLUPECSSABP-NJAFHUGGSA-N 2 2 367.515 0.757 10 0 FCAELP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CCc3nnc(C4CC4)n3C2)CC1 ZINC000645711738 492965204 /nfs/dbraw/zinc/96/52/04/492965204.db2.gz SNZMLIJIBZQVNI-HNNXBMFYSA-N 2 2 360.506 0.860 10 0 FCAELP COc1cc[nH+]cc1CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000645729945 492966658 /nfs/dbraw/zinc/96/66/58/492966658.db2.gz REGNJIIVQNUELS-UHFFFAOYSA-N 2 2 352.354 0.926 10 0 FCAELP Cc1cc(NCCNC(=O)N=c2ccn(CC[NH+](C)C)[nH]2)nc(C(C)C)[nH+]1 ZINC000626405247 492972011 /nfs/dbraw/zinc/97/20/11/492972011.db2.gz CCUOLCQLMLZKSW-UHFFFAOYSA-N 2 2 374.493 0.744 10 0 FCAELP C[C@@H]1[C@@H](NS(=O)(=O)C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000632340173 492977717 /nfs/dbraw/zinc/97/77/17/492977717.db2.gz TXGCCZQQBPMISC-NJAFHUGGSA-N 2 2 367.515 0.899 10 0 FCAELP C[C@@H]1[C@@H](NS(=O)(=O)C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000632340173 492977720 /nfs/dbraw/zinc/97/77/20/492977720.db2.gz TXGCCZQQBPMISC-NJAFHUGGSA-N 2 2 367.515 0.899 10 0 FCAELP C[C@@H]1[C@@H](NS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000632340173 492977724 /nfs/dbraw/zinc/97/77/24/492977724.db2.gz TXGCCZQQBPMISC-NJAFHUGGSA-N 2 2 367.515 0.899 10 0 FCAELP C[C@@H]1[C@@H](NS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000632340173 492977727 /nfs/dbraw/zinc/97/77/27/492977727.db2.gz TXGCCZQQBPMISC-NJAFHUGGSA-N 2 2 367.515 0.899 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000652710496 492997118 /nfs/dbraw/zinc/99/71/18/492997118.db2.gz RKDYICNFBGBORO-INIZCTEOSA-N 2 2 358.486 0.965 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000652710496 492997122 /nfs/dbraw/zinc/99/71/22/492997122.db2.gz RKDYICNFBGBORO-INIZCTEOSA-N 2 2 358.486 0.965 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)Nc1ccc3c(c1)OCC[NH2+]C3)CC2 ZINC000626813866 493025076 /nfs/dbraw/zinc/02/50/76/493025076.db2.gz ZOVDHWMSZPRKEL-UHFFFAOYSA-N 2 2 355.398 0.654 10 0 FCAELP C[N@@H+]1CCO[C@@H](CS(=O)(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000632574460 493032384 /nfs/dbraw/zinc/03/23/84/493032384.db2.gz IXDQAZVGTMFAOQ-DLBZAZTESA-N 2 2 353.488 0.511 10 0 FCAELP C[N@H+]1CCO[C@@H](CS(=O)(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000632574460 493032388 /nfs/dbraw/zinc/03/23/88/493032388.db2.gz IXDQAZVGTMFAOQ-DLBZAZTESA-N 2 2 353.488 0.511 10 0 FCAELP C[NH+]1CCO[C@@H](CS(=O)(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC000632574460 493032391 /nfs/dbraw/zinc/03/23/91/493032391.db2.gz IXDQAZVGTMFAOQ-DLBZAZTESA-N 2 2 353.488 0.511 10 0 FCAELP C[NH+]1CCO[C@@H](CS(=O)(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC000632574460 493032394 /nfs/dbraw/zinc/03/23/94/493032394.db2.gz IXDQAZVGTMFAOQ-DLBZAZTESA-N 2 2 353.488 0.511 10 0 FCAELP C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C[NH2+]1 ZINC000626887465 493051145 /nfs/dbraw/zinc/05/11/45/493051145.db2.gz MNAMETIZYWMSDE-GOEBONIOSA-N 2 2 360.458 0.714 10 0 FCAELP CCN(C(=O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000658804892 493061867 /nfs/dbraw/zinc/06/18/67/493061867.db2.gz XVNQDNUWHYGYKN-MRXNPFEDSA-N 2 2 359.474 0.591 10 0 FCAELP CCN(C(=O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000658804892 493061870 /nfs/dbraw/zinc/06/18/70/493061870.db2.gz XVNQDNUWHYGYKN-MRXNPFEDSA-N 2 2 359.474 0.591 10 0 FCAELP C[NH2+]CCOCCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000626920377 493062472 /nfs/dbraw/zinc/06/24/72/493062472.db2.gz ZBPBKGBEDSTXQF-AWEZNQCLSA-N 2 2 356.492 0.657 10 0 FCAELP C[NH2+]CCOCCN(C)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000626931558 493066723 /nfs/dbraw/zinc/06/67/23/493066723.db2.gz IZGCCVVTWWPEMG-UHFFFAOYSA-N 2 2 351.451 0.296 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1=O ZINC000627011641 493080451 /nfs/dbraw/zinc/08/04/51/493080451.db2.gz GZCJTSQYYRVKJY-ZMYBRWDISA-N 2 2 374.489 0.552 10 0 FCAELP CCO[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C[C@H]1C[NH3+] ZINC000653244052 493085019 /nfs/dbraw/zinc/08/50/19/493085019.db2.gz VZZRCTDZSKDSGZ-NZSAHSFTSA-N 3 2 371.485 0.623 10 0 FCAELP C[NH2+]CCOCCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000627117014 493089592 /nfs/dbraw/zinc/08/95/92/493089592.db2.gz CLQBCHITXVRGCR-SFHVURJKSA-N 2 2 363.506 0.338 10 0 FCAELP C[NH2+]CCOCCNC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000627117014 493089594 /nfs/dbraw/zinc/08/95/94/493089594.db2.gz CLQBCHITXVRGCR-SFHVURJKSA-N 2 2 363.506 0.338 10 0 FCAELP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627201151 493107186 /nfs/dbraw/zinc/10/71/86/493107186.db2.gz XTCLGYNNDUAJGI-PMPSAXMXSA-N 2 2 351.495 0.465 10 0 FCAELP O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658903786 493107806 /nfs/dbraw/zinc/10/78/06/493107806.db2.gz PGONOPJBHPZQTE-HNNXBMFYSA-N 2 2 357.414 0.330 10 0 FCAELP O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658903786 493107808 /nfs/dbraw/zinc/10/78/08/493107808.db2.gz PGONOPJBHPZQTE-HNNXBMFYSA-N 2 2 357.414 0.330 10 0 FCAELP O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000627224149 493109881 /nfs/dbraw/zinc/10/98/81/493109881.db2.gz JKGRXYBBQPBRQW-IEBWSBKVSA-N 2 2 359.474 0.677 10 0 FCAELP O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000627224149 493109884 /nfs/dbraw/zinc/10/98/84/493109884.db2.gz JKGRXYBBQPBRQW-IEBWSBKVSA-N 2 2 359.474 0.677 10 0 FCAELP C[NH+](C)C[C@H](CO)NC(=O)c1ccc(NCC[NH+]2CCOCC2)c(F)c1 ZINC000633072854 493114617 /nfs/dbraw/zinc/11/46/17/493114617.db2.gz RQGMSIKHDFYDIX-OAHLLOKOSA-N 2 2 368.453 0.222 10 0 FCAELP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000633090447 493121514 /nfs/dbraw/zinc/12/15/14/493121514.db2.gz DNAJOXQMQLDPJC-BFYDXBDKSA-N 2 2 359.474 0.340 10 0 FCAELP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000633105548 493127714 /nfs/dbraw/zinc/12/77/14/493127714.db2.gz CWGFAPLVWXDJMW-CABCVRRESA-N 2 2 359.405 0.851 10 0 FCAELP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000653436097 493137303 /nfs/dbraw/zinc/13/73/03/493137303.db2.gz LBZMFOKXBFGCKS-UHFFFAOYSA-N 2 2 356.511 0.308 10 0 FCAELP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000653436097 493137305 /nfs/dbraw/zinc/13/73/05/493137305.db2.gz LBZMFOKXBFGCKS-UHFFFAOYSA-N 2 2 356.511 0.308 10 0 FCAELP CC(C)C[NH+](C)CCCNC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000653436097 493137307 /nfs/dbraw/zinc/13/73/07/493137307.db2.gz LBZMFOKXBFGCKS-UHFFFAOYSA-N 2 2 356.511 0.308 10 0 FCAELP CC(C)C[NH+](C)CCCNC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000653436097 493137308 /nfs/dbraw/zinc/13/73/08/493137308.db2.gz LBZMFOKXBFGCKS-UHFFFAOYSA-N 2 2 356.511 0.308 10 0 FCAELP O=C(NCCCn1cc[nH+]c1)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659069667 493137898 /nfs/dbraw/zinc/13/78/98/493137898.db2.gz ISFSDMXMBBFWHA-INIZCTEOSA-N 2 2 357.414 0.689 10 0 FCAELP C[C@H]1CC[C@@H](NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C[NH2+]1 ZINC000627302964 493142074 /nfs/dbraw/zinc/14/20/74/493142074.db2.gz CATGGKPJJOJGEQ-GXTWGEPZSA-N 2 2 350.488 0.479 10 0 FCAELP C[C@H]1CC[C@@H](NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C[NH2+]1 ZINC000627302964 493142076 /nfs/dbraw/zinc/14/20/76/493142076.db2.gz CATGGKPJJOJGEQ-GXTWGEPZSA-N 2 2 350.488 0.479 10 0 FCAELP [NH3+]CCCOCCNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000627311649 493145745 /nfs/dbraw/zinc/14/57/45/493145745.db2.gz DREKWRWMSCHACB-UHFFFAOYSA-N 2 2 363.393 0.109 10 0 FCAELP CN(C(=O)C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000647111792 493167132 /nfs/dbraw/zinc/16/71/32/493167132.db2.gz UITWSXAXSJEYDJ-CUSZFKRNSA-N 2 2 362.518 0.918 10 0 FCAELP CN(C(=O)C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000647111792 493167135 /nfs/dbraw/zinc/16/71/35/493167135.db2.gz UITWSXAXSJEYDJ-CUSZFKRNSA-N 2 2 362.518 0.918 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@H]2CCC(=O)N(C)C2)C1 ZINC000653696143 493171599 /nfs/dbraw/zinc/17/15/99/493171599.db2.gz MKRVCSQHIMRJJM-JKSUJKDBSA-N 2 2 354.495 0.012 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@H]2CCC(=O)N(C)C2)C1 ZINC000653696143 493171603 /nfs/dbraw/zinc/17/16/03/493171603.db2.gz MKRVCSQHIMRJJM-JKSUJKDBSA-N 2 2 354.495 0.012 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)[C@H]2CCC(=O)N(C)C2)C1 ZINC000653696143 493171607 /nfs/dbraw/zinc/17/16/07/493171607.db2.gz MKRVCSQHIMRJJM-JKSUJKDBSA-N 2 2 354.495 0.012 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)C1 ZINC000653696143 493171611 /nfs/dbraw/zinc/17/16/11/493171611.db2.gz MKRVCSQHIMRJJM-JKSUJKDBSA-N 2 2 354.495 0.012 10 0 FCAELP [NH3+][C@@H]1CN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[C@H]1F ZINC000659424398 493172973 /nfs/dbraw/zinc/17/29/73/493172973.db2.gz DERMTAJUOFJQJK-GVDBMIGSSA-N 2 2 350.438 0.968 10 0 FCAELP [NH3+][C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[C@H]1F ZINC000659424398 493172978 /nfs/dbraw/zinc/17/29/78/493172978.db2.gz DERMTAJUOFJQJK-GVDBMIGSSA-N 2 2 350.438 0.968 10 0 FCAELP O=C(NCC12CC(C1)C[NH2+]2)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000659452640 493181573 /nfs/dbraw/zinc/18/15/73/493181573.db2.gz DPWHNHKNDUMKPV-FDYSRKEFSA-N 2 2 358.486 0.981 10 0 FCAELP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000627378482 493188319 /nfs/dbraw/zinc/18/83/19/493188319.db2.gz MWAGZLATJWWBNS-NSHDSACASA-N 2 2 361.368 0.518 10 0 FCAELP CN(C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000659364709 493197852 /nfs/dbraw/zinc/19/78/52/493197852.db2.gz OLNUQHHBKXVLHJ-IRXDYDNUSA-N 2 2 364.490 0.005 10 0 FCAELP CN(C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000659364709 493197859 /nfs/dbraw/zinc/19/78/59/493197859.db2.gz OLNUQHHBKXVLHJ-IRXDYDNUSA-N 2 2 364.490 0.005 10 0 FCAELP Cc1cc(NCCNC(=O)C(=O)NC2CCC([NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000627403432 493203772 /nfs/dbraw/zinc/20/37/72/493203772.db2.gz GXCGCUUUAUMRCE-UHFFFAOYSA-N 2 2 362.478 0.823 10 0 FCAELP CN(C(=O)NCc1cc(C(N)=O)co1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681801110 493219162 /nfs/dbraw/zinc/21/91/62/493219162.db2.gz SMRNYMLCXWGNIV-HNNXBMFYSA-N 2 2 363.462 0.688 10 0 FCAELP CN(C(=O)NCc1cc(C(N)=O)co1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681801110 493219164 /nfs/dbraw/zinc/21/91/64/493219164.db2.gz SMRNYMLCXWGNIV-HNNXBMFYSA-N 2 2 363.462 0.688 10 0 FCAELP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000659622775 493221915 /nfs/dbraw/zinc/22/19/15/493221915.db2.gz VJZSTXZMMKONNT-HZPDHXFCSA-N 2 2 353.511 0.698 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@H](C)[C@@H](C)O1 ZINC000672642581 493226970 /nfs/dbraw/zinc/22/69/70/493226970.db2.gz NYXQKKYFVSYNCZ-KLHDSHLOSA-N 2 2 366.506 0.295 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@H](C)[C@@H](C)O1 ZINC000672642581 493226971 /nfs/dbraw/zinc/22/69/71/493226971.db2.gz NYXQKKYFVSYNCZ-KLHDSHLOSA-N 2 2 366.506 0.295 10 0 FCAELP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000659676515 493246369 /nfs/dbraw/zinc/24/63/69/493246369.db2.gz GUDQHYYTRXBTDR-VQISRLSMSA-N 2 2 354.401 0.550 10 0 FCAELP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000659676515 493246372 /nfs/dbraw/zinc/24/63/72/493246372.db2.gz GUDQHYYTRXBTDR-VQISRLSMSA-N 2 2 354.401 0.550 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@H](CC(N)=O)C3)CC2)CC1 ZINC000672795050 493251652 /nfs/dbraw/zinc/25/16/52/493251652.db2.gz AWVVBYUAILZDLT-CQSZACIVSA-N 2 2 351.495 0.452 10 0 FCAELP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000659693360 493256958 /nfs/dbraw/zinc/25/69/58/493256958.db2.gz ZUQFHOTWODKZIG-MCIONIFRSA-N 2 2 363.462 0.036 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000659725973 493273868 /nfs/dbraw/zinc/27/38/68/493273868.db2.gz FVMUDTFVPPBNED-LEOABGAYSA-N 2 2 354.495 0.186 10 0 FCAELP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000659744553 493282788 /nfs/dbraw/zinc/28/27/88/493282788.db2.gz NBLPFSVWFNUXCW-OAHLLOKOSA-N 2 2 352.504 0.882 10 0 FCAELP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659745453 493283327 /nfs/dbraw/zinc/28/33/27/493283327.db2.gz RYCQVYXLWPJVFG-XVTSOASTSA-N 2 2 357.458 0.155 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N3C[C@H](O)CC(F)(F)C3)CC2)CC1 ZINC000682449336 493300453 /nfs/dbraw/zinc/30/04/53/493300453.db2.gz USNGKQLIFHOZLD-OAHLLOKOSA-N 2 2 360.449 0.957 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)CC2 ZINC000673349175 493320476 /nfs/dbraw/zinc/32/04/76/493320476.db2.gz WSNQAYSSPKYWNA-UHFFFAOYSA-N 2 2 373.432 0.921 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)CC2 ZINC000673349175 493320477 /nfs/dbraw/zinc/32/04/77/493320477.db2.gz WSNQAYSSPKYWNA-UHFFFAOYSA-N 2 2 373.432 0.921 10 0 FCAELP CNC(=O)C[NH+]1CCC(NC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000673861499 493368756 /nfs/dbraw/zinc/36/87/56/493368756.db2.gz HWSHYJNDQFBKRK-UHFFFAOYSA-N 2 2 357.418 0.599 10 0 FCAELP COC[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000660714045 493375423 /nfs/dbraw/zinc/37/54/23/493375423.db2.gz XEPQGCHJLYXTLX-AEFFLSMTSA-N 2 2 368.522 0.896 10 0 FCAELP COC[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000660714045 493375425 /nfs/dbraw/zinc/37/54/25/493375425.db2.gz XEPQGCHJLYXTLX-AEFFLSMTSA-N 2 2 368.522 0.896 10 0 FCAELP C[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1[nH+]ccn1C ZINC000660852872 493386820 /nfs/dbraw/zinc/38/68/20/493386820.db2.gz KAKRPCUXNJQOBC-ZIAGYGMSSA-N 2 2 350.467 0.723 10 0 FCAELP C[C@@H](NC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1[nH+]ccn1C ZINC000660852872 493386821 /nfs/dbraw/zinc/38/68/21/493386821.db2.gz KAKRPCUXNJQOBC-ZIAGYGMSSA-N 2 2 350.467 0.723 10 0 FCAELP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000674384015 493412248 /nfs/dbraw/zinc/41/22/48/493412248.db2.gz QCDXUOLURKHZMZ-MRXNPFEDSA-N 2 2 360.418 0.424 10 0 FCAELP O=C(C[NH2+][C@H](CO)C1CCC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000661152900 493412375 /nfs/dbraw/zinc/41/23/75/493412375.db2.gz CVNATSAIYJEIGW-LJQANCHMSA-N 2 2 361.486 0.886 10 0 FCAELP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)CC1 ZINC000661192274 493416925 /nfs/dbraw/zinc/41/69/25/493416925.db2.gz ZRWDYQQHXMXCER-RYUDHWBXSA-N 2 2 371.425 0.058 10 0 FCAELP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)CC1 ZINC000661192274 493416928 /nfs/dbraw/zinc/41/69/28/493416928.db2.gz ZRWDYQQHXMXCER-RYUDHWBXSA-N 2 2 371.425 0.058 10 0 FCAELP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cscn1 ZINC000668910386 493435780 /nfs/dbraw/zinc/43/57/80/493435780.db2.gz HIKZDWDTBBJEBX-QWHCGFSZSA-N 2 2 365.503 0.605 10 0 FCAELP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cscn1 ZINC000668910386 493435782 /nfs/dbraw/zinc/43/57/82/493435782.db2.gz HIKZDWDTBBJEBX-QWHCGFSZSA-N 2 2 365.503 0.605 10 0 FCAELP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000685076355 493447252 /nfs/dbraw/zinc/44/72/52/493447252.db2.gz IZXPYVNLEKHFBS-KRWDZBQOSA-N 2 2 369.469 0.952 10 0 FCAELP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000685076355 493447255 /nfs/dbraw/zinc/44/72/55/493447255.db2.gz IZXPYVNLEKHFBS-KRWDZBQOSA-N 2 2 369.469 0.952 10 0 FCAELP O=C(C[N@@H+]1CC[C@@]2(O)C[C@H]2C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000661716782 493461978 /nfs/dbraw/zinc/46/19/78/493461978.db2.gz DSFKMIMKZJLFEJ-GHTZIAJQSA-N 2 2 371.481 0.722 10 0 FCAELP O=C(C[N@H+]1CC[C@@]2(O)C[C@H]2C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000661716782 493461980 /nfs/dbraw/zinc/46/19/80/493461980.db2.gz DSFKMIMKZJLFEJ-GHTZIAJQSA-N 2 2 371.481 0.722 10 0 FCAELP C[NH+]1CCN(c2cc(CNC(=O)N3CC[NH2+]C[C@](C)(F)C3)ccn2)CC1 ZINC000669156640 493469241 /nfs/dbraw/zinc/46/92/41/493469241.db2.gz JRSNHEHZFBHRLZ-SFHVURJKSA-N 2 2 364.469 0.676 10 0 FCAELP O=C(CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)NCC(=O)c1ccccc1 ZINC000662152923 493492983 /nfs/dbraw/zinc/49/29/83/493492983.db2.gz JJJVILOHKHWACV-GOSISDBHSA-N 2 2 359.470 0.907 10 0 FCAELP O=C(CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)NCC(=O)c1ccccc1 ZINC000662152923 493492985 /nfs/dbraw/zinc/49/29/85/493492985.db2.gz JJJVILOHKHWACV-GOSISDBHSA-N 2 2 359.470 0.907 10 0 FCAELP NS(=O)(=O)c1cc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)co1 ZINC000662264244 493501559 /nfs/dbraw/zinc/50/15/59/493501559.db2.gz GYCWPEVWLZMRFH-OCCSQVGLSA-N 2 2 370.475 0.007 10 0 FCAELP NS(=O)(=O)c1cc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)co1 ZINC000662264244 493501562 /nfs/dbraw/zinc/50/15/62/493501562.db2.gz GYCWPEVWLZMRFH-OCCSQVGLSA-N 2 2 370.475 0.007 10 0 FCAELP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000662323331 493505986 /nfs/dbraw/zinc/50/59/86/493505986.db2.gz YSOBENFYIITNGB-SJORKVTESA-N 2 2 354.495 0.156 10 0 FCAELP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000662323331 493505989 /nfs/dbraw/zinc/50/59/89/493505989.db2.gz YSOBENFYIITNGB-SJORKVTESA-N 2 2 354.495 0.156 10 0 FCAELP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000662323910 493506098 /nfs/dbraw/zinc/50/60/98/493506098.db2.gz UGOYDMPQFXYSCU-RDJZCZTQSA-N 2 2 354.495 0.108 10 0 FCAELP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000662323910 493506100 /nfs/dbraw/zinc/50/61/00/493506100.db2.gz UGOYDMPQFXYSCU-RDJZCZTQSA-N 2 2 354.495 0.108 10 0 FCAELP C[NH+](C)CCC[C@@H]1C[N@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)CCO1 ZINC000662320341 493506181 /nfs/dbraw/zinc/50/61/81/493506181.db2.gz BCYPVKNFKXQLRX-QGZVFWFLSA-N 2 2 366.506 0.110 10 0 FCAELP C[NH+](C)CCC[C@@H]1C[N@@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)CCO1 ZINC000662320341 493506182 /nfs/dbraw/zinc/50/61/82/493506182.db2.gz BCYPVKNFKXQLRX-QGZVFWFLSA-N 2 2 366.506 0.110 10 0 FCAELP C[N@@H+]1CCN(C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)[C@@H](C[NH3+])C1 ZINC000669528963 493509049 /nfs/dbraw/zinc/50/90/49/493509049.db2.gz XVFITGQJWZUBJG-STQMWFEESA-N 2 2 352.870 0.598 10 0 FCAELP C[N@H+]1CCN(C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)[C@@H](C[NH3+])C1 ZINC000669528963 493509051 /nfs/dbraw/zinc/50/90/51/493509051.db2.gz XVFITGQJWZUBJG-STQMWFEESA-N 2 2 352.870 0.598 10 0 FCAELP COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)C1 ZINC000685716624 493509817 /nfs/dbraw/zinc/50/98/17/493509817.db2.gz YKDJENPHNHUDNU-QGZVFWFLSA-N 2 2 362.474 0.754 10 0 FCAELP COCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)C1 ZINC000685716624 493509821 /nfs/dbraw/zinc/50/98/21/493509821.db2.gz YKDJENPHNHUDNU-QGZVFWFLSA-N 2 2 362.474 0.754 10 0 FCAELP C[C@H](NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)[C@@H]1C[N@H+](C)CCO1 ZINC000669631164 493516072 /nfs/dbraw/zinc/51/60/72/493516072.db2.gz DQUNTURXIQNMNO-HOCLYGCPSA-N 2 2 364.471 0.929 10 0 FCAELP C[C@H](NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000669631164 493516075 /nfs/dbraw/zinc/51/60/75/493516075.db2.gz DQUNTURXIQNMNO-HOCLYGCPSA-N 2 2 364.471 0.929 10 0 FCAELP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000676098595 493524404 /nfs/dbraw/zinc/52/44/04/493524404.db2.gz RCNHGVPTQWZCRP-CYBMUJFWSA-N 2 2 359.434 0.513 10 0 FCAELP CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000676098268 493524416 /nfs/dbraw/zinc/52/44/16/493524416.db2.gz GETLXBDISJYQOF-HNNXBMFYSA-N 2 2 372.429 0.121 10 0 FCAELP [NH3+][C@@H]1CN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[C@H]1F ZINC000662747642 493537406 /nfs/dbraw/zinc/53/74/06/493537406.db2.gz ACDKEJOBNBQZEH-HUUCEWRRSA-N 2 2 363.437 0.408 10 0 FCAELP CCN1CC[C@@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC000670013153 493540807 /nfs/dbraw/zinc/54/08/07/493540807.db2.gz CBRJJRNXVOTUDI-MRXNPFEDSA-N 2 2 351.495 0.465 10 0 FCAELP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000670527177 493576958 /nfs/dbraw/zinc/57/69/58/493576958.db2.gz KQLSTAKYNDNOCG-INIZCTEOSA-N 2 2 366.506 0.348 10 0 FCAELP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000670527177 493576960 /nfs/dbraw/zinc/57/69/60/493576960.db2.gz KQLSTAKYNDNOCG-INIZCTEOSA-N 2 2 366.506 0.348 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000663406365 493587484 /nfs/dbraw/zinc/58/74/84/493587484.db2.gz ASSYZMRVBSYPDR-UHFFFAOYSA-N 2 2 371.507 0.017 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000663406365 493587486 /nfs/dbraw/zinc/58/74/86/493587486.db2.gz ASSYZMRVBSYPDR-UHFFFAOYSA-N 2 2 371.507 0.017 10 0 FCAELP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000670732255 493592495 /nfs/dbraw/zinc/59/24/95/493592495.db2.gz KIFGMYIOKUADQG-JKSUJKDBSA-N 2 2 373.432 0.975 10 0 FCAELP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000670732255 493592498 /nfs/dbraw/zinc/59/24/98/493592498.db2.gz KIFGMYIOKUADQG-JKSUJKDBSA-N 2 2 373.432 0.975 10 0 FCAELP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCOC3(C[NH2+]C3)C1)CC2 ZINC000663490230 493592716 /nfs/dbraw/zinc/59/27/16/493592716.db2.gz BVSCZTFFMWKGIG-UHFFFAOYSA-N 2 2 361.442 0.263 10 0 FCAELP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCOC3(C[NH2+]C3)C1)CC2 ZINC000663490230 493592717 /nfs/dbraw/zinc/59/27/17/493592717.db2.gz BVSCZTFFMWKGIG-UHFFFAOYSA-N 2 2 361.442 0.263 10 0 FCAELP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)C[C@@H](C)O1 ZINC000670772925 493595171 /nfs/dbraw/zinc/59/51/71/493595171.db2.gz BDZDNOIOTHMUDF-RBSFLKMASA-N 2 2 354.495 0.201 10 0 FCAELP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)C[C@@H](C)O1 ZINC000670772925 493595172 /nfs/dbraw/zinc/59/51/72/493595172.db2.gz BDZDNOIOTHMUDF-RBSFLKMASA-N 2 2 354.495 0.201 10 0 FCAELP O=C1C[C@@H]([NH2+]Cc2cn3cccc(F)c3n2)CN1CC[NH+]1CCOCC1 ZINC000677322998 493596411 /nfs/dbraw/zinc/59/64/11/493596411.db2.gz VCXDXBSGQCCZCI-CQSZACIVSA-N 2 2 361.421 0.496 10 0 FCAELP CCN(C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)[C@H]1CC[N@H+](C)C1 ZINC000663782012 493618213 /nfs/dbraw/zinc/61/82/13/493618213.db2.gz MOANEBOEFWIYNG-DOTOQJQBSA-N 2 2 356.536 0.930 10 0 FCAELP CCN(C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)[C@H]1CC[N@@H+](C)C1 ZINC000663782012 493618216 /nfs/dbraw/zinc/61/82/16/493618216.db2.gz MOANEBOEFWIYNG-DOTOQJQBSA-N 2 2 356.536 0.930 10 0 FCAELP CO[C@]1(CO)CCCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000663876924 493622848 /nfs/dbraw/zinc/62/28/48/493622848.db2.gz OVVHIWQONTYZDE-LJQANCHMSA-N 2 2 368.522 0.728 10 0 FCAELP C[N@@H+]1CCC[C@@H](N2CC[NH+](CC(=O)N3CCOC[C@@H]3C3CC3)CC2)C1 ZINC000677985522 493629624 /nfs/dbraw/zinc/62/96/24/493629624.db2.gz CQTMOQVHHSDTGM-QZTJIDSGSA-N 2 2 350.507 0.336 10 0 FCAELP C[N@H+]1CCC[C@@H](N2CC[NH+](CC(=O)N3CCOC[C@@H]3C3CC3)CC2)C1 ZINC000677985522 493629626 /nfs/dbraw/zinc/62/96/26/493629626.db2.gz CQTMOQVHHSDTGM-QZTJIDSGSA-N 2 2 350.507 0.336 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc[nH+]1 ZINC000671108470 493636259 /nfs/dbraw/zinc/63/62/59/493636259.db2.gz YZWTUMJLOFNVLN-HZPDHXFCSA-N 2 2 372.473 0.177 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc[nH+]1 ZINC000671108470 493636262 /nfs/dbraw/zinc/63/62/62/493636262.db2.gz YZWTUMJLOFNVLN-HZPDHXFCSA-N 2 2 372.473 0.177 10 0 FCAELP COCc1nc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n(C)n1 ZINC000664255405 493648878 /nfs/dbraw/zinc/64/88/78/493648878.db2.gz QGTYPIMTFJTXJP-UHFFFAOYSA-N 2 2 364.494 0.642 10 0 FCAELP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc4[nH+]ccn4c3)CC2)C1 ZINC000678672719 493653811 /nfs/dbraw/zinc/65/38/11/493653811.db2.gz BUXWXTYDJCWQGT-INIZCTEOSA-N 2 2 370.457 0.511 10 0 FCAELP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc4[nH+]ccn4c3)CC2)C1 ZINC000678672719 493653812 /nfs/dbraw/zinc/65/38/12/493653812.db2.gz BUXWXTYDJCWQGT-INIZCTEOSA-N 2 2 370.457 0.511 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000664473009 493662043 /nfs/dbraw/zinc/66/20/43/493662043.db2.gz JMQDQCSVIPGXIP-QZTJIDSGSA-N 3 2 369.554 0.547 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000664473009 493662045 /nfs/dbraw/zinc/66/20/45/493662045.db2.gz JMQDQCSVIPGXIP-QZTJIDSGSA-N 3 2 369.554 0.547 10 0 FCAELP CN(CCC[NH+](C)C)C(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000671390642 493663101 /nfs/dbraw/zinc/66/31/01/493663101.db2.gz JDYMIYBMCNELAY-UHFFFAOYSA-N 2 2 352.504 0.633 10 0 FCAELP CN(CCC[NH+](C)C)C(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000671390642 493663102 /nfs/dbraw/zinc/66/31/02/493663102.db2.gz JDYMIYBMCNELAY-UHFFFAOYSA-N 2 2 352.504 0.633 10 0 FCAELP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[C@H]3OCC[NH+](C)[C@H]3C2)CCCO1 ZINC000671621481 493698670 /nfs/dbraw/zinc/69/86/70/493698670.db2.gz NXTHORONYQGYDM-IXDOHACOSA-N 2 2 354.495 0.602 10 0 FCAELP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[C@H]3OCC[NH+](C)[C@H]3C2)CCCO1 ZINC000671621481 493698671 /nfs/dbraw/zinc/69/86/71/493698671.db2.gz NXTHORONYQGYDM-IXDOHACOSA-N 2 2 354.495 0.602 10 0 FCAELP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)CCCO1 ZINC000671621481 493698673 /nfs/dbraw/zinc/69/86/73/493698673.db2.gz NXTHORONYQGYDM-IXDOHACOSA-N 2 2 354.495 0.602 10 0 FCAELP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)CCCO1 ZINC000671621481 493698675 /nfs/dbraw/zinc/69/86/75/493698675.db2.gz NXTHORONYQGYDM-IXDOHACOSA-N 2 2 354.495 0.602 10 0 FCAELP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C3([NH+]4CCOCC4)CCC3)CC2)C1 ZINC000679888664 493699359 /nfs/dbraw/zinc/69/93/59/493699359.db2.gz XUFVLQYXPNIAEP-QGZVFWFLSA-N 2 2 350.507 0.480 10 0 FCAELP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C3([NH+]4CCOCC4)CCC3)CC2)C1 ZINC000679888664 493699360 /nfs/dbraw/zinc/69/93/60/493699360.db2.gz XUFVLQYXPNIAEP-QGZVFWFLSA-N 2 2 350.507 0.480 10 0 FCAELP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000672132556 493737217 /nfs/dbraw/zinc/73/72/17/493737217.db2.gz JTCHYCXKSOYDJO-ZBFHGGJFSA-N 2 2 359.474 0.921 10 0 FCAELP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000672132556 493737219 /nfs/dbraw/zinc/73/72/19/493737219.db2.gz JTCHYCXKSOYDJO-ZBFHGGJFSA-N 2 2 359.474 0.921 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCO[C@]4(CCOC4)C3)C2)CC1 ZINC000681093569 493745321 /nfs/dbraw/zinc/74/53/21/493745321.db2.gz BHSRPGUOZWREAE-CRAIPNDOSA-N 2 2 352.479 0.356 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCO[C@]4(CCOC4)C3)C2)CC1 ZINC000681093569 493745324 /nfs/dbraw/zinc/74/53/24/493745324.db2.gz BHSRPGUOZWREAE-CRAIPNDOSA-N 2 2 352.479 0.356 10 0 FCAELP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419456321 534909194 /nfs/dbraw/zinc/90/91/94/534909194.db2.gz SIUHSIKYYGROMD-STQMWFEESA-N 2 2 351.451 0.385 10 0 FCAELP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000410496291 527957134 /nfs/dbraw/zinc/95/71/34/527957134.db2.gz FAIOCZLLDQIKTN-QGZVFWFLSA-N 2 2 366.506 0.251 10 0 FCAELP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000410496291 527957135 /nfs/dbraw/zinc/95/71/35/527957135.db2.gz FAIOCZLLDQIKTN-QGZVFWFLSA-N 2 2 366.506 0.251 10 0 FCAELP CCC[C@@H](O)[C@H](CO)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000413318092 529065494 /nfs/dbraw/zinc/06/54/94/529065494.db2.gz NEXNLUQJQLLKFO-DLBZAZTESA-N 2 2 370.538 0.758 10 0 FCAELP CC[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CC[N@@H+]1C[C@H](C)O ZINC000247156875 529359313 /nfs/dbraw/zinc/35/93/13/529359313.db2.gz UOOWFSLBAARXDM-KBXCAEBGSA-N 2 2 374.485 0.874 10 0 FCAELP CC[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CC[N@H+]1C[C@H](C)O ZINC000247156875 529359315 /nfs/dbraw/zinc/35/93/15/529359315.db2.gz UOOWFSLBAARXDM-KBXCAEBGSA-N 2 2 374.485 0.874 10 0 FCAELP CC[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC[NH+]1C[C@H](C)O ZINC000247156875 529359317 /nfs/dbraw/zinc/35/93/17/529359317.db2.gz UOOWFSLBAARXDM-KBXCAEBGSA-N 2 2 374.485 0.874 10 0 FCAELP CC[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC[NH+]1C[C@H](C)O ZINC000247156875 529359320 /nfs/dbraw/zinc/35/93/20/529359320.db2.gz UOOWFSLBAARXDM-KBXCAEBGSA-N 2 2 374.485 0.874 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@H](C)[NH+](CCO)C[C@@H]2C)C1 ZINC000419409040 535120344 /nfs/dbraw/zinc/12/03/44/535120344.db2.gz YNAQTXOTSLAARK-YESZJQIVSA-N 2 2 356.511 0.440 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2C[C@H](C)[NH+](CCO)C[C@@H]2C)C1 ZINC000419409040 535120348 /nfs/dbraw/zinc/12/03/48/535120348.db2.gz YNAQTXOTSLAARK-YESZJQIVSA-N 2 2 356.511 0.440 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)C1 ZINC000419409040 535120354 /nfs/dbraw/zinc/12/03/54/535120354.db2.gz YNAQTXOTSLAARK-YESZJQIVSA-N 2 2 356.511 0.440 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)C1 ZINC000419409040 535120360 /nfs/dbraw/zinc/12/03/60/535120360.db2.gz YNAQTXOTSLAARK-YESZJQIVSA-N 2 2 356.511 0.440 10 0 FCAELP C[NH2+][C@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000419714462 536416476 /nfs/dbraw/zinc/41/64/76/536416476.db2.gz UAIGXMPRVWRJJW-AWEZNQCLSA-N 2 2 364.877 0.635 10 0 FCAELP C[NH2+][C@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000419714462 536416477 /nfs/dbraw/zinc/41/64/77/536416477.db2.gz UAIGXMPRVWRJJW-AWEZNQCLSA-N 2 2 364.877 0.635 10 0 FCAELP CC[NH+]1CCC(CCNC(=O)N(CCO)CC[NH+]2CCOCC2)CC1 ZINC000122276402 546518559 /nfs/dbraw/zinc/51/85/59/546518559.db2.gz ZKKDDQPKZCFYKI-UHFFFAOYSA-N 2 2 356.511 0.445 10 0 FCAELP CCOC(=O)c1sc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)nc1C ZINC000591749374 546600180 /nfs/dbraw/zinc/60/01/80/546600180.db2.gz MLAFZVJINYLTKV-ZDUSSCGKSA-N 2 2 356.492 0.326 10 0 FCAELP COC(=O)c1nscc1S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000594821944 546835934 /nfs/dbraw/zinc/83/59/34/546835934.db2.gz QQBORBGXKDGJSX-UHFFFAOYSA-N 2 2 364.493 0.092 10 0 FCAELP COC(=O)c1nscc1S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000594821944 546835941 /nfs/dbraw/zinc/83/59/41/546835941.db2.gz QQBORBGXKDGJSX-UHFFFAOYSA-N 2 2 364.493 0.092 10 0 FCAELP COCC[NH2+]CCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000418506580 546906938 /nfs/dbraw/zinc/90/69/38/546906938.db2.gz IVDDLFUOEVZBEG-SJPCQFCGSA-N 3 2 353.511 0.175 10 0 FCAELP COCC[NH2+]CCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000418506580 546906942 /nfs/dbraw/zinc/90/69/42/546906942.db2.gz IVDDLFUOEVZBEG-SJPCQFCGSA-N 3 2 353.511 0.175 10 0 FCAELP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898507087 665881446 /nfs/dbraw/zinc/88/14/46/665881446.db2.gz KROYKELZZWOOMX-KGLIPLIRSA-N 2 2 360.474 0.991 10 0 FCAELP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898507087 665881448 /nfs/dbraw/zinc/88/14/48/665881448.db2.gz KROYKELZZWOOMX-KGLIPLIRSA-N 2 2 360.474 0.991 10 0 FCAELP COC(=O)[C@@]1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C[C@@H]1S(C)(=O)=O ZINC000895510910 665048026 /nfs/dbraw/zinc/04/80/26/665048026.db2.gz JEHYUULKZFXXBQ-DZGCQCFKSA-N 2 2 369.468 1.000 10 0 FCAELP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925154283 665172759 /nfs/dbraw/zinc/17/27/59/665172759.db2.gz BFGOJJPPNSIHLU-IXDOHACOSA-N 2 2 369.579 0.891 10 0 FCAELP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000925154283 665172761 /nfs/dbraw/zinc/17/27/61/665172761.db2.gz BFGOJJPPNSIHLU-IXDOHACOSA-N 2 2 369.579 0.891 10 0 FCAELP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925154283 665172764 /nfs/dbraw/zinc/17/27/64/665172764.db2.gz BFGOJJPPNSIHLU-IXDOHACOSA-N 2 2 369.579 0.891 10 0 FCAELP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000925154283 665172766 /nfs/dbraw/zinc/17/27/66/665172766.db2.gz BFGOJJPPNSIHLU-IXDOHACOSA-N 2 2 369.579 0.891 10 0 FCAELP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2S(=O)(=O)CC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000905334368 666019628 /nfs/dbraw/zinc/01/96/28/666019628.db2.gz DYPWKDSPKCKLOQ-UXLLHSPISA-N 2 2 359.536 0.889 10 0 FCAELP C[C@@H]1C[N@H+](C[C@@H]2CCCN2S(=O)(=O)CC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000905334368 666019631 /nfs/dbraw/zinc/01/96/31/666019631.db2.gz DYPWKDSPKCKLOQ-UXLLHSPISA-N 2 2 359.536 0.889 10 0 FCAELP COc1ccccc1[C@@H]1C[NH2+]CCN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905342962 666021182 /nfs/dbraw/zinc/02/11/82/666021182.db2.gz DLUHQOQBRDWGGN-INIZCTEOSA-N 2 2 353.488 0.971 10 0 FCAELP S=C(NCCC[NH+]1CCOCC1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000905632117 666032112 /nfs/dbraw/zinc/03/21/12/666032112.db2.gz OEDBZWJOXMINKC-HUUCEWRRSA-N 2 2 358.577 0.753 10 0 FCAELP S=C(NCCC[NH+]1CCOCC1)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000905632117 666032114 /nfs/dbraw/zinc/03/21/14/666032114.db2.gz OEDBZWJOXMINKC-HUUCEWRRSA-N 2 2 358.577 0.753 10 0 FCAELP CN1CCN(c2cc(N3CC[C@@H](C(F)(F)F)[C@H]([NH3+])C3)nc[nH+]2)CC1=O ZINC000905723186 666036581 /nfs/dbraw/zinc/03/65/81/666036581.db2.gz PZCUUZHRBXIPGQ-GHMZBOCLSA-N 2 2 358.368 0.471 10 0 FCAELP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)C1 ZINC000907795892 666163663 /nfs/dbraw/zinc/16/36/63/666163663.db2.gz ZXCUFZLFDOLQIR-PMPSAXMXSA-N 2 2 355.454 0.906 10 0 FCAELP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)C1 ZINC000907795892 666163665 /nfs/dbraw/zinc/16/36/65/666163665.db2.gz ZXCUFZLFDOLQIR-PMPSAXMXSA-N 2 2 355.454 0.906 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(N3C(=O)N[C@@]4(CCSC4)C3=O)CC2)CC1 ZINC000349343263 666547689 /nfs/dbraw/zinc/54/76/89/666547689.db2.gz QECDEUAKOCXEDP-QGZVFWFLSA-N 2 2 352.504 0.973 10 0 FCAELP CC(C)(CNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)[NH+]1CCOCC1 ZINC000913876436 666661123 /nfs/dbraw/zinc/66/11/23/666661123.db2.gz AILLNGDYMWTKAH-GJZGRUSLSA-N 2 2 356.536 0.976 10 0 FCAELP CC(C)(CNC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12)[NH+]1CCOCC1 ZINC000913876436 666661126 /nfs/dbraw/zinc/66/11/26/666661126.db2.gz AILLNGDYMWTKAH-GJZGRUSLSA-N 2 2 356.536 0.976 10 0 FCAELP C[NH+]1CCN(C(C)(C)CNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000913997174 666680005 /nfs/dbraw/zinc/68/00/05/666680005.db2.gz IZBPWORDDDOMJU-HZPDHXFCSA-N 2 2 369.579 0.891 10 0 FCAELP C[NH+]1CCN(C(C)(C)CNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000913997174 666680006 /nfs/dbraw/zinc/68/00/06/666680006.db2.gz IZBPWORDDDOMJU-HZPDHXFCSA-N 2 2 369.579 0.891 10 0 FCAELP CN1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000913997174 666680007 /nfs/dbraw/zinc/68/00/07/666680007.db2.gz IZBPWORDDDOMJU-HZPDHXFCSA-N 2 2 369.579 0.891 10 0 FCAELP CN1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000913997174 666680008 /nfs/dbraw/zinc/68/00/08/666680008.db2.gz IZBPWORDDDOMJU-HZPDHXFCSA-N 2 2 369.579 0.891 10 0 FCAELP C/C(=C\C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)C[NH+]1CCOCC1 ZINC000901161550 666958543 /nfs/dbraw/zinc/95/85/43/666958543.db2.gz CUVBXVNXOPJMFN-YJXBEOEHSA-N 2 2 351.491 0.975 10 0 FCAELP C/C(=C\C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)C[NH+]1CCOCC1 ZINC000901161549 666958583 /nfs/dbraw/zinc/95/85/83/666958583.db2.gz CUVBXVNXOPJMFN-HOOHWIHRSA-N 2 2 351.491 0.975 10 0 FCAELP CC1(C)COCC[N@@H+]1CCNC(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000916619239 667009865 /nfs/dbraw/zinc/00/98/65/667009865.db2.gz KMDYESXNOOZBAT-GJZGRUSLSA-N 2 2 356.536 0.976 10 0 FCAELP CC1(C)COCC[N@H+]1CCNC(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000916619239 667009871 /nfs/dbraw/zinc/00/98/71/667009871.db2.gz KMDYESXNOOZBAT-GJZGRUSLSA-N 2 2 356.536 0.976 10 0 FCAELP CC1(C)COCC[NH+]1CCNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000916619239 667009876 /nfs/dbraw/zinc/00/98/76/667009876.db2.gz KMDYESXNOOZBAT-GJZGRUSLSA-N 2 2 356.536 0.976 10 0 FCAELP CC1(C)COCC[NH+]1CCNC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000916619239 667009881 /nfs/dbraw/zinc/00/98/81/667009881.db2.gz KMDYESXNOOZBAT-GJZGRUSLSA-N 2 2 356.536 0.976 10 0 FCAELP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000923599040 667063384 /nfs/dbraw/zinc/06/33/84/667063384.db2.gz ZIIPXONKKRQRBN-CYBMUJFWSA-N 2 2 373.441 0.655 10 0 FCAELP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000917223364 667064431 /nfs/dbraw/zinc/06/44/31/667064431.db2.gz HTUHBFLEXXJOLY-OWCLPIDISA-N 2 2 355.552 0.501 10 0 FCAELP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000917223364 667064435 /nfs/dbraw/zinc/06/44/35/667064435.db2.gz HTUHBFLEXXJOLY-OWCLPIDISA-N 2 2 355.552 0.501 10 0 FCAELP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000917223364 667064437 /nfs/dbraw/zinc/06/44/37/667064437.db2.gz HTUHBFLEXXJOLY-OWCLPIDISA-N 2 2 355.552 0.501 10 0 FCAELP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000917223364 667064440 /nfs/dbraw/zinc/06/44/40/667064440.db2.gz HTUHBFLEXXJOLY-OWCLPIDISA-N 2 2 355.552 0.501 10 0 FCAELP CCO[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C[NH+](C)C ZINC000918906412 667140423 /nfs/dbraw/zinc/14/04/23/667140423.db2.gz OBZKDYWOCYSDPW-RDJZCZTQSA-N 3 2 355.527 0.421 10 0 FCAELP CCO[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C[NH+](C)C ZINC000918906412 667140425 /nfs/dbraw/zinc/14/04/25/667140425.db2.gz OBZKDYWOCYSDPW-RDJZCZTQSA-N 3 2 355.527 0.421 10 0 FCAELP CCOC1CC(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)([NH+]2CCOCC2)C1 ZINC000922212142 667618807 /nfs/dbraw/zinc/61/88/07/667618807.db2.gz CKYGETGATLORFN-CTMQZQKCSA-N 2 2 354.495 0.648 10 0 FCAELP CCOC1CC(CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)([NH+]2CCOCC2)C1 ZINC000922212142 667618809 /nfs/dbraw/zinc/61/88/09/667618809.db2.gz CKYGETGATLORFN-CTMQZQKCSA-N 2 2 354.495 0.648 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCOC[C@@H]3CCO)CC2)CC1 ZINC000758433019 667759527 /nfs/dbraw/zinc/75/95/27/667759527.db2.gz QRTZLCVIYHXRKO-KRWDZBQOSA-N 2 2 354.495 0.338 10 0 FCAELP C[C@H]1C[N@H+](CC(=O)NCc2ccc(S(C)(=O)=O)cc2)CC[C@@H]1C[NH3+] ZINC000923494436 667841217 /nfs/dbraw/zinc/84/12/17/667841217.db2.gz MXHRYXMJVSZIEQ-DZGCQCFKSA-N 2 2 353.488 0.623 10 0 FCAELP C[C@H]1C[N@@H+](CC(=O)NCc2ccc(S(C)(=O)=O)cc2)CC[C@@H]1C[NH3+] ZINC000923494436 667841220 /nfs/dbraw/zinc/84/12/20/667841220.db2.gz MXHRYXMJVSZIEQ-DZGCQCFKSA-N 2 2 353.488 0.623 10 0 FCAELP CCCCN(C(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000923504012 667842287 /nfs/dbraw/zinc/84/22/87/667842287.db2.gz NXGOGPKXJQAOID-BZUAXINKSA-N 2 2 359.536 0.719 10 0 FCAELP CCCCN(C(=O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000923504012 667842292 /nfs/dbraw/zinc/84/22/92/667842292.db2.gz NXGOGPKXJQAOID-BZUAXINKSA-N 2 2 359.536 0.719 10 0 FCAELP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000824369065 669387270 /nfs/dbraw/zinc/38/72/70/669387270.db2.gz VGJGIVXAWINWLP-OWSLCNJRSA-N 2 2 351.491 0.999 10 0 FCAELP O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000824369065 669387274 /nfs/dbraw/zinc/38/72/74/669387274.db2.gz VGJGIVXAWINWLP-OWSLCNJRSA-N 2 2 351.491 0.999 10 0 FCAELP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000806828325 669448186 /nfs/dbraw/zinc/44/81/86/669448186.db2.gz FCFNFBPYJCVYAQ-MRXNPFEDSA-N 2 2 359.536 0.876 10 0 FCAELP C[N@H+]1CCCC[C@@H]1CCC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000806828325 669448191 /nfs/dbraw/zinc/44/81/91/669448191.db2.gz FCFNFBPYJCVYAQ-MRXNPFEDSA-N 2 2 359.536 0.876 10 0 FCAELP CC1(C(N)=O)C[NH+](Cc2cc(Cl)cc(C[NH+]3CC(C)(C(N)=O)C3)c2)C1 ZINC000829075203 669683185 /nfs/dbraw/zinc/68/31/85/669683185.db2.gz JCJCWGUANNBUHX-UHFFFAOYSA-N 2 2 364.877 0.954 10 0 FCAELP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000829116202 669684431 /nfs/dbraw/zinc/68/44/31/669684431.db2.gz PJFPIRLLSNFAQL-MRXNPFEDSA-N 2 2 371.478 0.493 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N(C)C1CCC([NH3+])CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848613213 671286760 /nfs/dbraw/zinc/28/67/60/671286760.db2.gz DWVRHLZLHHCFGY-QJUBBFGZSA-N 2 2 354.495 0.329 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N(C)C1CCC([NH3+])CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848613213 671286764 /nfs/dbraw/zinc/28/67/64/671286764.db2.gz DWVRHLZLHHCFGY-QJUBBFGZSA-N 2 2 354.495 0.329 10 0 FCAELP COc1ccc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(Cl)n1 ZINC000850596460 671388757 /nfs/dbraw/zinc/38/87/57/671388757.db2.gz QAOSWGOUWSOJEP-UHFFFAOYSA-N 2 2 371.869 0.682 10 0 FCAELP COc1ccc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(Cl)n1 ZINC000850596460 671388762 /nfs/dbraw/zinc/38/87/62/671388762.db2.gz QAOSWGOUWSOJEP-UHFFFAOYSA-N 2 2 371.869 0.682 10 0 FCAELP COC(=O)N(C)CCN(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000852127716 671489382 /nfs/dbraw/zinc/48/93/82/671489382.db2.gz BEMYYPNCLCCIRF-CQSZACIVSA-N 2 2 355.483 0.495 10 0 FCAELP COC(=O)N(C)CCN(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000852127716 671489384 /nfs/dbraw/zinc/48/93/84/671489384.db2.gz BEMYYPNCLCCIRF-CQSZACIVSA-N 2 2 355.483 0.495 10 0 FCAELP CC(C)(C)OC(=O)NC[C@](C)(O)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000852707942 671518805 /nfs/dbraw/zinc/51/88/05/671518805.db2.gz MEXWNYOTJZJQIJ-YJBOKZPZSA-N 2 2 357.495 0.793 10 0 FCAELP CC(C)(C)OC(=O)NC[C@](C)(O)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000852707942 671518806 /nfs/dbraw/zinc/51/88/06/671518806.db2.gz MEXWNYOTJZJQIJ-YJBOKZPZSA-N 2 2 357.495 0.793 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC1CN(C(=O)OC(C)(C)C)C1 ZINC000853833445 671558742 /nfs/dbraw/zinc/55/87/42/671558742.db2.gz HBDHOTCPTBXKBU-UHFFFAOYSA-N 2 2 357.499 0.788 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC1CN(C(=O)OC(C)(C)C)C1 ZINC000853833445 671558743 /nfs/dbraw/zinc/55/87/43/671558743.db2.gz HBDHOTCPTBXKBU-UHFFFAOYSA-N 2 2 357.499 0.788 10 0 FCAELP C(C[NH+]1CCOCC1)N1CCC([NH2+][C@@H]2CCCN3CCSC[C@@H]23)CC1 ZINC000903270926 675923314 /nfs/dbraw/zinc/92/33/14/675923314.db2.gz JEBNSHAJQRLSRL-MOPGFXCFSA-N 2 2 368.591 0.952 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000803493414 675931037 /nfs/dbraw/zinc/93/10/37/675931037.db2.gz MOXWESLCPUPZFW-DOTOQJQBSA-N 2 2 357.495 0.589 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000803493414 675931038 /nfs/dbraw/zinc/93/10/38/675931038.db2.gz MOXWESLCPUPZFW-DOTOQJQBSA-N 2 2 357.495 0.589 10 0 FCAELP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CCCC[NH+]1CCCC1 ZINC000862644899 672060922 /nfs/dbraw/zinc/06/09/22/672060922.db2.gz SDOMCSPZNPNSKK-LJQANCHMSA-N 2 2 353.507 0.985 10 0 FCAELP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CCCC[NH+]1CCCC1 ZINC000862644899 672060927 /nfs/dbraw/zinc/06/09/27/672060927.db2.gz SDOMCSPZNPNSKK-LJQANCHMSA-N 2 2 353.507 0.985 10 0 FCAELP CCS(=O)(=O)N(C)C1CC[NH+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903903493 675981163 /nfs/dbraw/zinc/98/11/63/675981163.db2.gz LLYBRKWYUXCQFE-HNNXBMFYSA-N 2 2 370.523 0.449 10 0 FCAELP CC/C=C(/F)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000865192831 672231917 /nfs/dbraw/zinc/23/19/17/672231917.db2.gz FVEJXNLQCNNVAE-FZSIALSZSA-N 2 2 354.470 0.947 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C2)CC1 ZINC000865748974 672250000 /nfs/dbraw/zinc/25/00/00/672250000.db2.gz KZJXMMRKESQUSR-YUTCNCBUSA-N 2 2 365.396 0.617 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C2)CC1 ZINC000865748974 672250005 /nfs/dbraw/zinc/25/00/05/672250005.db2.gz KZJXMMRKESQUSR-YUTCNCBUSA-N 2 2 365.396 0.617 10 0 FCAELP O=C1C[C@H]([NH2+][C@@H](C2CCC2)[C@H]2CCCO2)CN1CC[NH+]1CCOCC1 ZINC000866299074 672267409 /nfs/dbraw/zinc/26/74/09/672267409.db2.gz IASILFPIJDDKLK-SCTDSRPQSA-N 2 2 351.491 0.857 10 0 FCAELP CCN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712529 672291226 /nfs/dbraw/zinc/29/12/26/672291226.db2.gz VGEUSCVLCINMPP-UTUOFQBUSA-N 2 2 364.368 0.264 10 0 FCAELP CCN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712529 672291230 /nfs/dbraw/zinc/29/12/30/672291230.db2.gz VGEUSCVLCINMPP-UTUOFQBUSA-N 2 2 364.368 0.264 10 0 FCAELP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)CC[C@H]21 ZINC000868129730 672386799 /nfs/dbraw/zinc/38/67/99/672386799.db2.gz CISHFAWMWGFCEL-NUJGCVRESA-N 2 2 368.547 0.930 10 0 FCAELP C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)CC[C@H]21 ZINC000868129730 672386801 /nfs/dbraw/zinc/38/68/01/672386801.db2.gz CISHFAWMWGFCEL-NUJGCVRESA-N 2 2 368.547 0.930 10 0 FCAELP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923612801 672440112 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LSBFFNRPJBUQGG-GFCCVEGCSA-N 2 2 353.471 0.249 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)ccc2[nH+]1 ZINC000927840884 673882961 /nfs/dbraw/zinc/88/29/61/673882961.db2.gz BTGORURUESOURH-GHMZBOCLSA-N 2 2 355.320 0.929 10 0 FCAELP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000929745360 673974547 /nfs/dbraw/zinc/97/45/47/673974547.db2.gz OIOZKSFOLDYZLH-SNPRPXQTSA-N 2 2 352.504 0.035 10 0 FCAELP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000929745360 673974548 /nfs/dbraw/zinc/97/45/48/673974548.db2.gz OIOZKSFOLDYZLH-SNPRPXQTSA-N 2 2 352.504 0.035 10 0 FCAELP O=C(N[C@@H]1CC[NH+](C2CC2)C1)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000929745360 673974552 /nfs/dbraw/zinc/97/45/52/673974552.db2.gz OIOZKSFOLDYZLH-SNPRPXQTSA-N 2 2 352.504 0.035 10 0 FCAELP C[NH+](C)CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)[C@@H]1CCS(=O)(=O)C1 ZINC000900967729 675735889 /nfs/dbraw/zinc/73/58/89/675735889.db2.gz OQKQXFPLOSARPE-XHSDSOJGSA-N 2 2 357.520 0.581 10 0 FCAELP C[NH+](C)CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)[C@@H]1CCS(=O)(=O)C1 ZINC000900967729 675735891 /nfs/dbraw/zinc/73/58/91/675735891.db2.gz OQKQXFPLOSARPE-XHSDSOJGSA-N 2 2 357.520 0.581 10 0 FCAELP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCc2ccccc2C1 ZINC000897587829 1192823968 /nfs/dbraw/zinc/82/39/68/1192823968.db2.gz HKNLEGCORKGVLS-QAPCUYQASA-N 2 2 358.486 0.760 10 0 FCAELP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCc2ccccc2C1 ZINC000897587829 1192823970 /nfs/dbraw/zinc/82/39/70/1192823970.db2.gz HKNLEGCORKGVLS-QAPCUYQASA-N 2 2 358.486 0.760 10 0 FCAELP CC[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000897587829 1192823971 /nfs/dbraw/zinc/82/39/71/1192823971.db2.gz HKNLEGCORKGVLS-QAPCUYQASA-N 2 2 358.486 0.760 10 0 FCAELP CC[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000897587829 1192823974 /nfs/dbraw/zinc/82/39/74/1192823974.db2.gz HKNLEGCORKGVLS-QAPCUYQASA-N 2 2 358.486 0.760 10 0 FCAELP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000548820423 1179879342 /nfs/dbraw/zinc/87/93/42/1179879342.db2.gz DEJFDLCPYDLXGL-HNNXBMFYSA-N 2 2 371.441 0.844 10 0 FCAELP CN(CC[NH2+]CC[C@H]1CCOC1)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001267407370 1180480672 /nfs/dbraw/zinc/48/06/72/1180480672.db2.gz KEVXQZVZTKSUGV-KSZLIROESA-N 2 2 369.506 0.341 10 0 FCAELP CCNC(=O)C[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001267916159 1183148473 /nfs/dbraw/zinc/14/84/73/1183148473.db2.gz XROFQGYHCRAGSB-HZPDHXFCSA-N 2 2 361.490 0.878 10 0 FCAELP CN(CC[NH2+]Cc1cccc(C(N)=O)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001481281125 1183162208 /nfs/dbraw/zinc/16/22/08/1183162208.db2.gz ATJXXVAJIICAOT-HZPDHXFCSA-N 2 2 355.442 0.871 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CN(C)C(=O)Cc3c[nH+]c[nH]3)C2)CC[N@@H+]1C ZINC001745724228 1187489304 /nfs/dbraw/zinc/48/93/04/1187489304.db2.gz DVJWNFWXSCDYLW-BHYGNILZSA-N 2 2 361.490 0.989 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CN(C)C(=O)Cc3c[nH+]c[nH]3)C2)CC[N@H+]1C ZINC001745724228 1187489310 /nfs/dbraw/zinc/48/93/10/1187489310.db2.gz DVJWNFWXSCDYLW-BHYGNILZSA-N 2 2 361.490 0.989 10 0 FCAELP Cn1cc(C[NH2+]C[C@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C2CC2)nn1 ZINC001481942337 1187557329 /nfs/dbraw/zinc/55/73/29/1187557329.db2.gz KRDSSVNQBHEOLA-RKVPGOIHSA-N 2 2 357.462 0.727 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH+](CCOCC3CC3)CCO2)CC[N@@H+]1C ZINC001482193237 1187769592 /nfs/dbraw/zinc/76/95/92/1187769592.db2.gz UMIQQJNQLOHNGJ-OKZBNKHCSA-N 2 2 353.507 0.960 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH+](CCOCC3CC3)CCO2)CC[N@H+]1C ZINC001482193237 1187769595 /nfs/dbraw/zinc/76/95/95/1187769595.db2.gz UMIQQJNQLOHNGJ-OKZBNKHCSA-N 2 2 353.507 0.960 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[N@H+](CCOCC3CC3)CCO2)CC[NH+]1C ZINC001482193237 1187769599 /nfs/dbraw/zinc/76/95/99/1187769599.db2.gz UMIQQJNQLOHNGJ-OKZBNKHCSA-N 2 2 353.507 0.960 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[N@@H+](CCOCC3CC3)CCO2)CC[NH+]1C ZINC001482193237 1187769602 /nfs/dbraw/zinc/76/96/02/1187769602.db2.gz UMIQQJNQLOHNGJ-OKZBNKHCSA-N 2 2 353.507 0.960 10 0 FCAELP CNC(=O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001269574876 1187857141 /nfs/dbraw/zinc/85/71/41/1187857141.db2.gz DGWNBQOWMSHCFX-WFDRTZIDSA-N 2 2 359.474 0.771 10 0 FCAELP Cc1ccncc1C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001271193103 1190352332 /nfs/dbraw/zinc/35/23/32/1190352332.db2.gz QXIDLVWPQOMGRP-MBOZVWFJSA-N 2 2 369.469 0.980 10 0 FCAELP Cc1ccncc1C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001271193103 1190352341 /nfs/dbraw/zinc/35/23/41/1190352341.db2.gz QXIDLVWPQOMGRP-MBOZVWFJSA-N 2 2 369.469 0.980 10 0 FCAELP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000897340318 1190709207 /nfs/dbraw/zinc/70/92/07/1190709207.db2.gz NBANNACWEHCAPH-MRXNPFEDSA-N 2 2 366.506 0.348 10 0 FCAELP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000897340318 1190709211 /nfs/dbraw/zinc/70/92/11/1190709211.db2.gz NBANNACWEHCAPH-MRXNPFEDSA-N 2 2 366.506 0.348 10 0 FCAELP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000897340317 1190709292 /nfs/dbraw/zinc/70/92/92/1190709292.db2.gz NBANNACWEHCAPH-INIZCTEOSA-N 2 2 366.506 0.348 10 0 FCAELP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000897340317 1190709293 /nfs/dbraw/zinc/70/92/93/1190709293.db2.gz NBANNACWEHCAPH-INIZCTEOSA-N 2 2 366.506 0.348 10 0 FCAELP CC[NH+](CC)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1[nH+]ccn1C)C2 ZINC001719921325 1191213890 /nfs/dbraw/zinc/21/38/90/1191213890.db2.gz YVHHMGSWIRZUNQ-OAGGEKHMSA-N 2 2 361.490 0.943 10 0 FCAELP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000553174019 1193976339 /nfs/dbraw/zinc/97/63/39/1193976339.db2.gz GZUKSVMBGQZUIT-GOSISDBHSA-N 2 2 370.497 0.931 10 0 FCAELP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000553174019 1193976345 /nfs/dbraw/zinc/97/63/45/1193976345.db2.gz GZUKSVMBGQZUIT-GOSISDBHSA-N 2 2 370.497 0.931 10 0 FCAELP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000553278278 1193984379 /nfs/dbraw/zinc/98/43/79/1193984379.db2.gz NFKKMGDBARPFKC-HNNXBMFYSA-N 2 2 363.462 0.343 10 0 FCAELP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000553278278 1193984382 /nfs/dbraw/zinc/98/43/82/1193984382.db2.gz NFKKMGDBARPFKC-HNNXBMFYSA-N 2 2 363.462 0.343 10 0 FCAELP Cc1nc(C)c(C[NH2+]CCN(CCO)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)o1 ZINC001272258272 1195063039 /nfs/dbraw/zinc/06/30/39/1195063039.db2.gz GKDCWQPWEGXXQT-HUUCEWRRSA-N 2 2 361.446 0.739 10 0 FCAELP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000912723444 1196361238 /nfs/dbraw/zinc/36/12/38/1196361238.db2.gz GVNCWFVDUGTTDR-CTNGQTDRSA-N 2 2 374.529 0.766 10 0 FCAELP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000912723444 1196361244 /nfs/dbraw/zinc/36/12/44/1196361244.db2.gz GVNCWFVDUGTTDR-CTNGQTDRSA-N 2 2 374.529 0.766 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000914082416 1197222929 /nfs/dbraw/zinc/22/29/29/1197222929.db2.gz FCSLWZMALBGYGJ-IAGOWNOFSA-N 2 2 368.522 0.992 10 0 FCAELP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000743424737 1198264865 /nfs/dbraw/zinc/26/48/65/1198264865.db2.gz ZJDKQUWMSYDSOR-UHFFFAOYSA-N 2 2 371.485 0.684 10 0 FCAELP CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000745087131 1198353932 /nfs/dbraw/zinc/35/39/32/1198353932.db2.gz IZRHOYVVUTYBSM-DLBZAZTESA-N 2 2 369.506 0.877 10 0 FCAELP CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000745087131 1198353940 /nfs/dbraw/zinc/35/39/40/1198353940.db2.gz IZRHOYVVUTYBSM-DLBZAZTESA-N 2 2 369.506 0.877 10 0 FCAELP CC[NH+]1CCCC[C@@H]1C(=O)OCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000745087131 1198353952 /nfs/dbraw/zinc/35/39/52/1198353952.db2.gz IZRHOYVVUTYBSM-DLBZAZTESA-N 2 2 369.506 0.877 10 0 FCAELP CC[NH+]1CCCC[C@@H]1C(=O)OCC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000745087131 1198353961 /nfs/dbraw/zinc/35/39/61/1198353961.db2.gz IZRHOYVVUTYBSM-DLBZAZTESA-N 2 2 369.506 0.877 10 0 FCAELP COC(=O)N1CC(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000770398398 1200436460 /nfs/dbraw/zinc/43/64/60/1200436460.db2.gz BGJDXCHDHRCNOZ-UHFFFAOYSA-N 2 2 367.494 0.687 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000785728562 1200789570 /nfs/dbraw/zinc/78/95/70/1200789570.db2.gz CAPVJHILKOMEPA-BBWFWOEESA-N 2 2 369.506 0.875 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000785728562 1200789576 /nfs/dbraw/zinc/78/95/76/1200789576.db2.gz CAPVJHILKOMEPA-BBWFWOEESA-N 2 2 369.506 0.875 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)COC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000785728562 1200789582 /nfs/dbraw/zinc/78/95/82/1200789582.db2.gz CAPVJHILKOMEPA-BBWFWOEESA-N 2 2 369.506 0.875 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)COC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000785728562 1200789586 /nfs/dbraw/zinc/78/95/86/1200789586.db2.gz CAPVJHILKOMEPA-BBWFWOEESA-N 2 2 369.506 0.875 10 0 FCAELP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000787123503 1200869581 /nfs/dbraw/zinc/86/95/81/1200869581.db2.gz LKCLQJSWPKXXNC-KRWDZBQOSA-N 2 2 364.490 0.053 10 0 FCAELP Cn1cnc(C[NH2+]C[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)c1 ZINC000808409894 1202881279 /nfs/dbraw/zinc/88/12/79/1202881279.db2.gz WUAAXGZALBZFQD-HNNXBMFYSA-N 2 2 371.489 0.356 10 0 FCAELP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cc(-n3cc[nH+]c3)ccc2O)C1 ZINC001136516818 1203221298 /nfs/dbraw/zinc/22/12/98/1203221298.db2.gz JILFVVIIAGZOCA-CQSZACIVSA-N 2 2 371.441 0.895 10 0 FCAELP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2cc(-n3cc[nH+]c3)ccc2O)C1 ZINC001136516818 1203221301 /nfs/dbraw/zinc/22/13/01/1203221301.db2.gz JILFVVIIAGZOCA-CQSZACIVSA-N 2 2 371.441 0.895 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000845279775 1204487784 /nfs/dbraw/zinc/48/77/84/1204487784.db2.gz ZTZPQFDVSDUERO-HZPDHXFCSA-N 2 2 366.462 0.850 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000845279775 1204487788 /nfs/dbraw/zinc/48/77/88/1204487788.db2.gz ZTZPQFDVSDUERO-HZPDHXFCSA-N 2 2 366.462 0.850 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)ccc2[nH+]1 ZINC000774249676 1206430470 /nfs/dbraw/zinc/43/04/70/1206430470.db2.gz DDWRRYMAAPKVNG-GJZGRUSLSA-N 2 2 357.414 0.561 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)ccc2[nH+]1 ZINC000774249676 1206430472 /nfs/dbraw/zinc/43/04/72/1206430472.db2.gz DDWRRYMAAPKVNG-GJZGRUSLSA-N 2 2 357.414 0.561 10 0 FCAELP C[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+](C)C2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000775420016 1207735169 /nfs/dbraw/zinc/73/51/69/1207735169.db2.gz HDWOMPXGJZPJCL-GJZGRUSLSA-N 2 2 369.510 0.931 10 0 FCAELP C[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000775420016 1207735179 /nfs/dbraw/zinc/73/51/79/1207735179.db2.gz HDWOMPXGJZPJCL-GJZGRUSLSA-N 2 2 369.510 0.931 10 0 FCAELP C[NH+]1CCC[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000775420016 1207735190 /nfs/dbraw/zinc/73/51/90/1207735190.db2.gz HDWOMPXGJZPJCL-GJZGRUSLSA-N 2 2 369.510 0.931 10 0 FCAELP C[NH+]1CCC[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000775420016 1207735201 /nfs/dbraw/zinc/73/52/01/1207735201.db2.gz HDWOMPXGJZPJCL-GJZGRUSLSA-N 2 2 369.510 0.931 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[N@@H+]1CCNS(=O)(=O)CC ZINC001489145283 1208644261 /nfs/dbraw/zinc/64/42/61/1208644261.db2.gz QRESGZAEXIOJJL-LSDHHAIUSA-N 2 2 371.507 0.100 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[N@H+]1CCNS(=O)(=O)CC ZINC001489145283 1208644262 /nfs/dbraw/zinc/64/42/62/1208644262.db2.gz QRESGZAEXIOJJL-LSDHHAIUSA-N 2 2 371.507 0.100 10 0 FCAELP 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O=C(CCCn1cc[nH+]c1)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001489660847 1209076199 /nfs/dbraw/zinc/07/61/99/1209076199.db2.gz BVQKGPFONBYPQW-IAGOWNOFSA-N 2 2 371.485 0.818 10 0 FCAELP CN(C[C@H]1CCN1C(=O)CCC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001489787395 1209096701 /nfs/dbraw/zinc/09/67/01/1209096701.db2.gz BLNVMNCSSQAZSK-BZUAXINKSA-N 2 2 361.490 0.925 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001490123039 1209244400 /nfs/dbraw/zinc/24/44/00/1209244400.db2.gz IADCXXMMALTLAT-INMHGKMJSA-N 2 2 361.490 0.893 10 0 FCAELP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001490334732 1209323708 /nfs/dbraw/zinc/32/37/08/1209323708.db2.gz MDKQQMHRYMQVSW-HUUCEWRRSA-N 2 2 361.490 0.515 10 0 FCAELP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001490402298 1209335300 /nfs/dbraw/zinc/33/53/00/1209335300.db2.gz TWABLLBJAZLLLJ-UNEWFSDZSA-N 2 2 361.490 0.956 10 0 FCAELP 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CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cn(CC(N)=O)nn3)C2)ccn1 ZINC000856549130 1209716503 /nfs/dbraw/zinc/71/65/03/1209716503.db2.gz PAABEBQLTCSAEV-QGZVFWFLSA-N 2 2 373.461 0.263 10 0 FCAELP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cn(CC(N)=O)nn3)C2)ccn1 ZINC000856549130 1209716508 /nfs/dbraw/zinc/71/65/08/1209716508.db2.gz PAABEBQLTCSAEV-QGZVFWFLSA-N 2 2 373.461 0.263 10 0 FCAELP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cn(CC(N)=O)nn3)C2)ccn1 ZINC000856549130 1209716514 /nfs/dbraw/zinc/71/65/14/1209716514.db2.gz PAABEBQLTCSAEV-QGZVFWFLSA-N 2 2 373.461 0.263 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc2c(c1)NC(=O)CN2C ZINC000859359125 1209818939 /nfs/dbraw/zinc/81/89/39/1209818939.db2.gz PHRHFXYWSULXHC-UHFFFAOYSA-N 2 2 374.489 0.568 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc2c(c1)NC(=O)CN2C ZINC000859359125 1209818943 /nfs/dbraw/zinc/81/89/43/1209818943.db2.gz PHRHFXYWSULXHC-UHFFFAOYSA-N 2 2 374.489 0.568 10 0 FCAELP 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CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000867573180 1210014288 /nfs/dbraw/zinc/01/42/88/1210014288.db2.gz XUUPFNNFUZXFDV-CVEARBPZSA-N 2 2 366.506 0.108 10 0 FCAELP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867573180 1210014291 /nfs/dbraw/zinc/01/42/91/1210014291.db2.gz XUUPFNNFUZXFDV-CVEARBPZSA-N 2 2 366.506 0.108 10 0 FCAELP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000867573180 1210014295 /nfs/dbraw/zinc/01/42/95/1210014295.db2.gz XUUPFNNFUZXFDV-CVEARBPZSA-N 2 2 366.506 0.108 10 0 FCAELP O=C(Nc1ccc2[nH+]ccn2c1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000868126323 1210042151 /nfs/dbraw/zinc/04/21/51/1210042151.db2.gz RLLILHAHOJVEHJ-MCIONIFRSA-N 2 2 356.386 0.733 10 0 FCAELP Cc1ccc(NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(N(C)C)[nH+]1 ZINC000868137478 1210042798 /nfs/dbraw/zinc/04/27/98/1210042798.db2.gz XQWLDEADXWCPQD-YUELXQCFSA-N 2 2 374.445 0.855 10 0 FCAELP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000868418123 1210064197 /nfs/dbraw/zinc/06/41/97/1210064197.db2.gz IWFWIRWTVWLELN-RBUKOAKNSA-N 2 2 370.497 0.992 10 0 FCAELP C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872152873 1210173983 /nfs/dbraw/zinc/17/39/83/1210173983.db2.gz WGYWHVHLTZADLQ-TWOQFEAHSA-N 2 2 358.486 0.971 10 0 FCAELP C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872152873 1210173984 /nfs/dbraw/zinc/17/39/84/1210173984.db2.gz WGYWHVHLTZADLQ-TWOQFEAHSA-N 2 2 358.486 0.971 10 0 FCAELP c1nnnn1CC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000878020951 1210453381 /nfs/dbraw/zinc/45/33/81/1210453381.db2.gz YLNVPXIUZLTHLI-KRWDZBQOSA-N 2 2 356.478 0.602 10 0 FCAELP c1nnnn1CC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000878020951 1210453385 /nfs/dbraw/zinc/45/33/85/1210453385.db2.gz YLNVPXIUZLTHLI-KRWDZBQOSA-N 2 2 356.478 0.602 10 0 FCAELP C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1N=NC(=O)N1C ZINC000926148812 1211518236 /nfs/dbraw/zinc/51/82/36/1211518236.db2.gz UAFKPSPHKLEMFO-JSGCOSHPSA-N 2 2 365.482 0.392 10 0 FCAELP C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1N=NC(=O)N1C ZINC000926148812 1211518237 /nfs/dbraw/zinc/51/82/37/1211518237.db2.gz UAFKPSPHKLEMFO-JSGCOSHPSA-N 2 2 365.482 0.392 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)CC[C@H]1C[NH3+] ZINC000926287335 1211526452 /nfs/dbraw/zinc/52/64/52/1211526452.db2.gz IWGAIXUWLKCFMJ-NJAFHUGGSA-N 2 2 358.486 0.945 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)CC[C@H]1C[NH3+] ZINC000926287335 1211526454 /nfs/dbraw/zinc/52/64/54/1211526454.db2.gz IWGAIXUWLKCFMJ-NJAFHUGGSA-N 2 2 358.486 0.945 10 0 FCAELP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926336840 1211534181 /nfs/dbraw/zinc/53/41/81/1211534181.db2.gz FROILLNNDWGCDF-OXQOHEQNSA-N 2 2 374.485 0.032 10 0 FCAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926336840 1211534190 /nfs/dbraw/zinc/53/41/90/1211534190.db2.gz FROILLNNDWGCDF-OXQOHEQNSA-N 2 2 374.485 0.032 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1C[NH3+] ZINC000926370417 1211540982 /nfs/dbraw/zinc/54/09/82/1211540982.db2.gz RQNZQPPTDIXBAS-WMZOPIPTSA-N 2 2 358.486 0.774 10 0 FCAELP Cc1cc(NC(=O)C(=O)NCCCCCN2CC[NH2+]CC2)cn2cc[nH+]c12 ZINC000927871353 1211588291 /nfs/dbraw/zinc/58/82/91/1211588291.db2.gz SKWCKFOPWXPEEB-UHFFFAOYSA-N 2 2 372.473 0.773 10 0 FCAELP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@@H]3CC[C@H]([NH3+])C3)c2)CC1 ZINC000927926301 1211593192 /nfs/dbraw/zinc/59/31/92/1211593192.db2.gz AMSDSVVAURQPPW-WBVHZDCISA-N 2 2 373.501 0.616 10 0 FCAELP CCO[C@@H](CNC(=O)C(=O)NCc1[nH+]cc(C)c(OC)c1C)C[NH+](C)C ZINC000929803546 1211661988 /nfs/dbraw/zinc/66/19/88/1211661988.db2.gz YALWRRJSTIWRFO-AWEZNQCLSA-N 2 2 366.462 0.406 10 0 FCAELP CC1([NH+]2CCC2)CCC(NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000930523473 1211712455 /nfs/dbraw/zinc/71/24/55/1211712455.db2.gz YKBLWACBTGEELW-XAUUPUKJSA-N 2 2 359.474 0.837 10 0 FCAELP CC(=O)N1CCO[C@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000933627712 1211844713 /nfs/dbraw/zinc/84/47/13/1211844713.db2.gz LDBNCRDTFOTXCW-KRWDZBQOSA-N 2 2 366.506 0.300 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001490842418 1211957130 /nfs/dbraw/zinc/95/71/30/1211957130.db2.gz MYLWIFZLSBYUJZ-BFHYXJOUSA-N 2 2 354.476 0.149 10 0 FCAELP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000900174901 1217967680 /nfs/dbraw/zinc/96/76/80/1217967680.db2.gz QYXXYGRHFOCQNB-FPOVZHCZSA-N 2 2 374.529 0.766 10 0 FCAELP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000900174901 1217967685 /nfs/dbraw/zinc/96/76/85/1217967685.db2.gz QYXXYGRHFOCQNB-FPOVZHCZSA-N 2 2 374.529 0.766 10 0 FCAELP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000900174901 1217967686 /nfs/dbraw/zinc/96/76/86/1217967686.db2.gz QYXXYGRHFOCQNB-FPOVZHCZSA-N 2 2 374.529 0.766 10 0 FCAELP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000900174901 1217967690 /nfs/dbraw/zinc/96/76/90/1217967690.db2.gz QYXXYGRHFOCQNB-FPOVZHCZSA-N 2 2 374.529 0.766 10 0 FCAELP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)cc2)CC1 ZINC000900209146 1217971731 /nfs/dbraw/zinc/97/17/31/1217971731.db2.gz PXWALAHPSRNKKN-PZJWPPBQSA-N 2 2 374.529 0.895 10 0 FCAELP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@]3(C)C[C@H](O)C[N@H+]3C)cc2)CC1 ZINC000900209146 1217971736 /nfs/dbraw/zinc/97/17/36/1217971736.db2.gz PXWALAHPSRNKKN-PZJWPPBQSA-N 2 2 374.529 0.895 10 0 FCAELP O=C(CCNC(=O)C12CC[NH+](CC1)C2)N1CCN(c2cccc[nH+]2)CC1 ZINC000900453929 1217990750 /nfs/dbraw/zinc/99/07/50/1217990750.db2.gz PTHNKYJHEKPGDV-UHFFFAOYSA-N 2 2 357.458 0.332 10 0 FCAELP C/C(=C/C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)C[NH+]1CCOCC1 ZINC000900497491 1217998749 /nfs/dbraw/zinc/99/87/49/1217998749.db2.gz ORSMOAYLSFKRLA-YHKKIHSWSA-N 2 2 366.506 0.324 10 0 FCAELP C/C(=C/C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C[NH+]1CCOCC1 ZINC000900497491 1217998754 /nfs/dbraw/zinc/99/87/54/1217998754.db2.gz ORSMOAYLSFKRLA-YHKKIHSWSA-N 2 2 366.506 0.324 10 0 FCAELP C/C(=C/C(=O)NCc1ccnc(OCC[NH+](C)C)c1)C[NH+]1CCOCC1 ZINC000901257432 1218102678 /nfs/dbraw/zinc/10/26/78/1218102678.db2.gz PJUHZAQOYIXDJG-VBKFSLOCSA-N 2 2 362.474 0.917 10 0 FCAELP COC(=O)CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)C1=O ZINC000903507284 1218431375 /nfs/dbraw/zinc/43/13/75/1218431375.db2.gz UVTOMHWCJAVXGL-BBWFWOEESA-N 2 2 364.490 0.051 10 0 FCAELP COC(=O)CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)C1=O ZINC000903507284 1218431379 /nfs/dbraw/zinc/43/13/79/1218431379.db2.gz UVTOMHWCJAVXGL-BBWFWOEESA-N 2 2 364.490 0.051 10 0 FCAELP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000903780659 1218524453 /nfs/dbraw/zinc/52/44/53/1218524453.db2.gz ABZVDIMBBASZNL-KRWDZBQOSA-N 3 2 367.538 0.071 10 0 FCAELP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000903780659 1218524455 /nfs/dbraw/zinc/52/44/55/1218524455.db2.gz ABZVDIMBBASZNL-KRWDZBQOSA-N 3 2 367.538 0.071 10 0 FCAELP Cc1c(C[C@H](C[NH3+])CN2CC[NH+](CC(=O)N3CCCC3)CC2)cnn1C ZINC000903878458 1218559661 /nfs/dbraw/zinc/55/96/61/1218559661.db2.gz UUDJNNRSBVXYIC-QGZVFWFLSA-N 2 2 362.522 0.086 10 0 FCAELP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000804059272 1219114355 /nfs/dbraw/zinc/11/43/55/1219114355.db2.gz YMVWURGVWSWHMS-GJZGRUSLSA-N 2 2 361.446 0.095 10 0 FCAELP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000804059272 1219114358 /nfs/dbraw/zinc/11/43/58/1219114358.db2.gz YMVWURGVWSWHMS-GJZGRUSLSA-N 2 2 361.446 0.095 10 0 FCAELP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000804059272 1219114362 /nfs/dbraw/zinc/11/43/62/1219114362.db2.gz YMVWURGVWSWHMS-GJZGRUSLSA-N 2 2 361.446 0.095 10 0 FCAELP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000804059272 1219114364 /nfs/dbraw/zinc/11/43/64/1219114364.db2.gz YMVWURGVWSWHMS-GJZGRUSLSA-N 2 2 361.446 0.095 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC[C@H]2C2OCCO2)C1 ZINC000726882720 1219658515 /nfs/dbraw/zinc/65/85/15/1219658515.db2.gz QYDGMFNJJYMUMQ-SJORKVTESA-N 2 2 369.506 0.687 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC[C@H]2C2OCCO2)C1 ZINC000726882720 1219658518 /nfs/dbraw/zinc/65/85/18/1219658518.db2.gz QYDGMFNJJYMUMQ-SJORKVTESA-N 2 2 369.506 0.687 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCCC[C@H]2C2OCCO2)C1 ZINC000726882720 1219658521 /nfs/dbraw/zinc/65/85/21/1219658521.db2.gz QYDGMFNJJYMUMQ-SJORKVTESA-N 2 2 369.506 0.687 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCCC[C@H]2C2OCCO2)C1 ZINC000726882720 1219658522 /nfs/dbraw/zinc/65/85/22/1219658522.db2.gz QYDGMFNJJYMUMQ-SJORKVTESA-N 2 2 369.506 0.687 10 0 FCAELP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000750247570 1219889474 /nfs/dbraw/zinc/88/94/74/1219889474.db2.gz RNXMVICQBQWSEM-CQSZACIVSA-N 2 2 363.462 0.622 10 0 FCAELP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000750247570 1219889477 /nfs/dbraw/zinc/88/94/77/1219889477.db2.gz RNXMVICQBQWSEM-CQSZACIVSA-N 2 2 363.462 0.622 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001118888566 1221840881 /nfs/dbraw/zinc/84/08/81/1221840881.db2.gz TURPHSGVQRCFJY-HNNXBMFYSA-N 2 2 364.494 0.413 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001118888566 1221840884 /nfs/dbraw/zinc/84/08/84/1221840884.db2.gz TURPHSGVQRCFJY-HNNXBMFYSA-N 2 2 364.494 0.413 10 0 FCAELP CC[NH+]1CCN(C2CN(C(=O)c3c(C)nn(C)c3-n3cc[nH+]c3C)C2)CC1 ZINC001124052832 1222378629 /nfs/dbraw/zinc/37/86/29/1222378629.db2.gz HEXBMPWJPACEJZ-UHFFFAOYSA-N 2 2 371.489 0.685 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3COC4(CCC4)C3)C2)CC1 ZINC000828202883 1222396448 /nfs/dbraw/zinc/39/64/48/1222396448.db2.gz NAQYRWYONFRFIV-LSDHHAIUSA-N 2 2 364.490 0.099 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3COC4(CCC4)C3)C2)CC1 ZINC000828202883 1222396454 /nfs/dbraw/zinc/39/64/54/1222396454.db2.gz NAQYRWYONFRFIV-LSDHHAIUSA-N 2 2 364.490 0.099 10 0 FCAELP C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CCN1c1cc[nH+]cc1 ZINC000829214416 1222430565 /nfs/dbraw/zinc/43/05/65/1222430565.db2.gz AXVPCNJWJXVERJ-UHOSZYNNSA-N 2 2 374.485 0.999 10 0 FCAELP COC(=O)[C@@H]1CC[N@H+](CN2C(=O)[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000839966948 1222763373 /nfs/dbraw/zinc/76/33/73/1222763373.db2.gz BCUDCNPDWLESPN-ZACQAIPSSA-N 2 2 371.437 0.556 10 0 FCAELP COC(=O)[C@@H]1CC[N@@H+](CN2C(=O)[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000839966948 1222763378 /nfs/dbraw/zinc/76/33/78/1222763378.db2.gz BCUDCNPDWLESPN-ZACQAIPSSA-N 2 2 371.437 0.556 10 0 FCAELP COC(=O)[C@@H]1CC[NH+](CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000839966948 1222763382 /nfs/dbraw/zinc/76/33/82/1222763382.db2.gz BCUDCNPDWLESPN-ZACQAIPSSA-N 2 2 371.437 0.556 10 0 FCAELP COC(=O)[C@@H]1CC[NH+](CN2C(=O)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000839966948 1222763387 /nfs/dbraw/zinc/76/33/87/1222763387.db2.gz BCUDCNPDWLESPN-ZACQAIPSSA-N 2 2 371.437 0.556 10 0 FCAELP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000842034950 1222833363 /nfs/dbraw/zinc/83/33/63/1222833363.db2.gz FXDPKWMABDMKLO-IYBDPMFKSA-N 2 2 368.441 0.545 10 0 FCAELP COc1cc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)ccc1OC(=O)C1CC1 ZINC000843044560 1222856917 /nfs/dbraw/zinc/85/69/17/1222856917.db2.gz JEQUVMTVWNWILO-UHFFFAOYSA-N 2 2 361.442 0.874 10 0 FCAELP COc1cc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)ccc1OC(=O)C1CC1 ZINC000843044560 1222856918 /nfs/dbraw/zinc/85/69/18/1222856918.db2.gz JEQUVMTVWNWILO-UHFFFAOYSA-N 2 2 361.442 0.874 10 0 FCAELP C[C@H](CNC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000848931734 1245386141 /nfs/dbraw/zinc/38/61/41/1245386141.db2.gz GXVGHTXUPCINRM-TWMKSMIVSA-N 2 2 368.522 0.591 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848935303 1245389047 /nfs/dbraw/zinc/38/90/47/1245389047.db2.gz KUISPRWOBVPAMR-UUAJXVIYSA-N 2 2 368.522 0.589 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848935303 1245389052 /nfs/dbraw/zinc/38/90/52/1245389052.db2.gz KUISPRWOBVPAMR-UUAJXVIYSA-N 2 2 368.522 0.589 10 0 FCAELP [NH2+]=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H]1CCCO1 ZINC000849012839 1245390919 /nfs/dbraw/zinc/39/09/19/1245390919.db2.gz KUYRPUXWVCRIDN-OAHLLOKOSA-N 2 2 360.462 0.413 10 0 FCAELP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)[C@@H](C)CO1 ZINC000849609515 1245408382 /nfs/dbraw/zinc/40/83/82/1245408382.db2.gz XSOUNYCUXRCKQR-IDCNUPLLSA-N 2 2 363.506 0.681 10 0 FCAELP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)[C@@H](C)CO1 ZINC000849609515 1245408387 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HLXXDEBCBDPIRX-KRWDZBQOSA-N 2 2 362.474 0.884 10 0 FCAELP CN(C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)O2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001329346651 1265739539 /nfs/dbraw/zinc/73/95/39/1265739539.db2.gz WWXRNMXZCSOIJD-YESZJQIVSA-N 2 2 364.490 0.003 10 0 FCAELP CN(C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)O2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001329346651 1265739542 /nfs/dbraw/zinc/73/95/42/1265739542.db2.gz WWXRNMXZCSOIJD-YESZJQIVSA-N 2 2 364.490 0.003 10 0 FCAELP C[C@@H]1COCC[C@@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001329358074 1265741779 /nfs/dbraw/zinc/74/17/79/1265741779.db2.gz VAZLPJYSHMLHIT-OIISXLGYSA-N 2 2 366.506 0.155 10 0 FCAELP C[C@@H]1COCC[C@@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001329358074 1265741789 /nfs/dbraw/zinc/74/17/89/1265741789.db2.gz VAZLPJYSHMLHIT-OIISXLGYSA-N 2 2 366.506 0.155 10 0 FCAELP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)C1 ZINC001329563519 1265782468 /nfs/dbraw/zinc/78/24/68/1265782468.db2.gz YENGRJQMNUGLLK-HOTGVXAUSA-N 2 2 361.490 0.931 10 0 FCAELP CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCOC1 ZINC001329811029 1265857966 /nfs/dbraw/zinc/85/79/66/1265857966.db2.gz PJYYEIQRYFNQHG-WBVHZDCISA-N 2 2 366.506 0.299 10 0 FCAELP CCN(C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCOC1 ZINC001329811029 1265857974 /nfs/dbraw/zinc/85/79/74/1265857974.db2.gz PJYYEIQRYFNQHG-WBVHZDCISA-N 2 2 366.506 0.299 10 0 FCAELP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001520248776 1265887294 /nfs/dbraw/zinc/88/72/94/1265887294.db2.gz MHXRPHNQSKCPMM-CVEARBPZSA-N 2 2 361.490 0.920 10 0 FCAELP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001520248776 1265887304 /nfs/dbraw/zinc/88/73/04/1265887304.db2.gz MHXRPHNQSKCPMM-CVEARBPZSA-N 2 2 361.490 0.920 10 0 FCAELP CCOCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001330011734 1265924768 /nfs/dbraw/zinc/92/47/68/1265924768.db2.gz CLPKWDKHOBYKTF-NXHRZFHOSA-N 2 2 369.506 0.339 10 0 FCAELP CCOC1CC(CNC(=O)NC2(C[NH3+])CCOCC2)([NH+]2CCOCC2)C1 ZINC001331721520 1266272877 /nfs/dbraw/zinc/27/28/77/1266272877.db2.gz KVLXNKUZCBSWPY-UHFFFAOYSA-N 2 2 370.494 0.063 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC001261189731 1260096924 /nfs/dbraw/zinc/09/69/24/1260096924.db2.gz KCCGZSUHJYYQDL-INIZCTEOSA-N 2 2 368.522 0.545 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC001261189731 1260096932 /nfs/dbraw/zinc/09/69/32/1260096932.db2.gz KCCGZSUHJYYQDL-INIZCTEOSA-N 2 2 368.522 0.545 10 0 FCAELP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(F)cc1 ZINC001262126794 1260264942 /nfs/dbraw/zinc/26/49/42/1260264942.db2.gz PXFKBOYHYPLQGX-BRWVUGGUSA-N 2 2 362.449 0.898 10 0 FCAELP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(F)cc1 ZINC001262126794 1260264946 /nfs/dbraw/zinc/26/49/46/1260264946.db2.gz PXFKBOYHYPLQGX-BRWVUGGUSA-N 2 2 362.449 0.898 10 0 FCAELP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001262126794 1260264955 /nfs/dbraw/zinc/26/49/55/1260264955.db2.gz PXFKBOYHYPLQGX-BRWVUGGUSA-N 2 2 362.449 0.898 10 0 FCAELP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001262126794 1260264960 /nfs/dbraw/zinc/26/49/60/1260264960.db2.gz PXFKBOYHYPLQGX-BRWVUGGUSA-N 2 2 362.449 0.898 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC[C@@H]3CC[C@@H]4C[C@@H]43)C2)CC1 ZINC001262236576 1260285685 /nfs/dbraw/zinc/28/56/85/1260285685.db2.gz IAXFMZMUYLKNNP-UIBIWLFHSA-N 2 2 362.518 0.824 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC[C@@H]3CC[C@@H]4C[C@@H]43)C2)CC1 ZINC001262236576 1260285690 /nfs/dbraw/zinc/28/56/90/1260285690.db2.gz IAXFMZMUYLKNNP-UIBIWLFHSA-N 2 2 362.518 0.824 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@]34C[C@H]3CCCC4)C2)CC1 ZINC001262252642 1260290199 /nfs/dbraw/zinc/29/01/99/1260290199.db2.gz WQIGSQMYYONCHD-GUXCAODWSA-N 2 2 362.518 0.968 10 0 FCAELP 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C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH+](C)Cc2cc3n(n2)CCC3)CC[N@@H+]1C ZINC001284491310 1261759978 /nfs/dbraw/zinc/75/99/78/1261759978.db2.gz AFGYZDYPMSTINA-ZTFGCOKTSA-N 2 2 363.506 0.421 10 0 FCAELP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH+](C)Cc2cc3n(n2)CCC3)CC[N@H+]1C ZINC001284491310 1261759979 /nfs/dbraw/zinc/75/99/79/1261759979.db2.gz AFGYZDYPMSTINA-ZTFGCOKTSA-N 2 2 363.506 0.421 10 0 FCAELP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[N@H+](C)Cc2cc3n(n2)CCC3)CC[NH+]1C ZINC001284491310 1261759983 /nfs/dbraw/zinc/75/99/83/1261759983.db2.gz AFGYZDYPMSTINA-ZTFGCOKTSA-N 2 2 363.506 0.421 10 0 FCAELP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)Cc2cc3n(n2)CCC3)CC[NH+]1C ZINC001284491310 1261759987 /nfs/dbraw/zinc/75/99/87/1261759987.db2.gz AFGYZDYPMSTINA-ZTFGCOKTSA-N 2 2 363.506 0.421 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCCN(C(=O)Cc2c[nH+]cn2C)C2CC2)CC[N@@H+]1C ZINC001284736338 1261782518 /nfs/dbraw/zinc/78/25/18/1261782518.db2.gz JIUQCGMJCXGQCT-DLBZAZTESA-N 2 2 361.490 0.800 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCCN(C(=O)Cc2c[nH+]cn2C)C2CC2)CC[N@H+]1C ZINC001284736338 1261782522 /nfs/dbraw/zinc/78/25/22/1261782522.db2.gz JIUQCGMJCXGQCT-DLBZAZTESA-N 2 2 361.490 0.800 10 0 FCAELP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001285098820 1261810132 /nfs/dbraw/zinc/81/01/32/1261810132.db2.gz HFXKOURGTXRITM-RRFJBIMHSA-N 2 2 361.490 0.876 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@@H+]1C ZINC001285565815 1261854335 /nfs/dbraw/zinc/85/43/35/1261854335.db2.gz UDIVWUJCGSEWSQ-HAASYIMLSA-N 2 2 359.474 0.652 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@H+]1C ZINC001285565815 1261854340 /nfs/dbraw/zinc/85/43/40/1261854340.db2.gz UDIVWUJCGSEWSQ-HAASYIMLSA-N 2 2 359.474 0.652 10 0 FCAELP CC[NH+](CC)CC(=O)N[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@@H]1C ZINC001290630970 1262481043 /nfs/dbraw/zinc/48/10/43/1262481043.db2.gz KMBHHHYYIJINJY-HIFRSBDPSA-N 2 2 365.478 0.797 10 0 FCAELP CC[C@H](C(=O)N[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@@H]1C)[NH+](C)C ZINC001290682610 1262493768 /nfs/dbraw/zinc/49/37/68/1262493768.db2.gz HKLNMEFTIKYXGI-IVMMDQJWSA-N 2 2 365.478 0.796 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001290711185 1262499669 /nfs/dbraw/zinc/49/96/69/1262499669.db2.gz YJAIWUAZRHFIOK-PMPSAXMXSA-N 2 2 361.490 0.893 10 0 FCAELP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001290918515 1262535157 /nfs/dbraw/zinc/53/51/57/1262535157.db2.gz KDBHDXFPWRFIHU-UKRRQHHQSA-N 2 2 358.446 0.758 10 0 FCAELP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001290937989 1262539016 /nfs/dbraw/zinc/53/90/16/1262539016.db2.gz BQQHUKWRKXNNHX-BZUAXINKSA-N 2 2 361.490 0.608 10 0 FCAELP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001291646322 1262572786 /nfs/dbraw/zinc/57/27/86/1262572786.db2.gz ZDLVCYBTRRGSSA-GDBMZVCRSA-N 2 2 358.446 0.689 10 0 FCAELP NC(=O)c1ccc(C[NH+]2CCN(C(=O)CC[N@@H+]3CC[C@@H](F)C3)CC2)cc1 ZINC001292946816 1262705621 /nfs/dbraw/zinc/70/56/21/1262705621.db2.gz NBOMCJMBOYQEKH-QGZVFWFLSA-N 2 2 362.449 0.864 10 0 FCAELP NC(=O)c1ccc(C[NH+]2CCN(C(=O)CC[N@H+]3CC[C@@H](F)C3)CC2)cc1 ZINC001292946816 1262705623 /nfs/dbraw/zinc/70/56/23/1262705623.db2.gz NBOMCJMBOYQEKH-QGZVFWFLSA-N 2 2 362.449 0.864 10 0 FCAELP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001479171727 1263175014 /nfs/dbraw/zinc/17/50/14/1263175014.db2.gz LACFHEZJRFXPMV-BRWVUGGUSA-N 2 2 350.507 0.728 10 0 FCAELP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001479171727 1263175019 /nfs/dbraw/zinc/17/50/19/1263175019.db2.gz LACFHEZJRFXPMV-BRWVUGGUSA-N 2 2 350.507 0.728 10 0 FCAELP CC(C)N(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001479171727 1263175020 /nfs/dbraw/zinc/17/50/20/1263175020.db2.gz LACFHEZJRFXPMV-BRWVUGGUSA-N 2 2 350.507 0.728 10 0 FCAELP CC(C)N(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001479171727 1263175023 /nfs/dbraw/zinc/17/50/23/1263175023.db2.gz LACFHEZJRFXPMV-BRWVUGGUSA-N 2 2 350.507 0.728 10 0 FCAELP C[C@@H](NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1)C1CC1 ZINC001479486891 1263218728 /nfs/dbraw/zinc/21/87/28/1263218728.db2.gz MNAGPHQVPZJZDW-IJEWVQPXSA-N 2 2 361.490 0.752 10 0 FCAELP CCOCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1cnn(C)c1 ZINC001479511580 1263236119 /nfs/dbraw/zinc/23/61/19/1263236119.db2.gz SDAADPUOAKTUGB-DLBZAZTESA-N 2 2 360.462 0.317 10 0 FCAELP C[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H](C[NH2+]CCOCCO)C1 ZINC001479567563 1263257385 /nfs/dbraw/zinc/25/73/85/1263257385.db2.gz MCLHULKITYCMLC-RYRKJORJSA-N 2 2 364.490 0.671 10 0 FCAELP C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C[NH2+]CCCS(C)(=O)=O)C1 ZINC001479589093 1263266719 /nfs/dbraw/zinc/26/67/19/1263266719.db2.gz LXOOPFZBGOYHOY-CABCVRRESA-N 2 2 356.492 0.535 10 0 FCAELP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)[C@@H]1CC)[NH+](CC)CC ZINC001479641873 1263291749 /nfs/dbraw/zinc/29/17/49/1263291749.db2.gz QKXQKANWDRGTTF-ZNMIVQPWSA-N 2 2 366.510 0.698 10 0 FCAELP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)[C@@H]1CC)[NH+](CC)CC ZINC001479641873 1263291762 /nfs/dbraw/zinc/29/17/62/1263291762.db2.gz QKXQKANWDRGTTF-ZNMIVQPWSA-N 2 2 366.510 0.698 10 0 FCAELP CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001479656652 1263305419 /nfs/dbraw/zinc/30/54/19/1263305419.db2.gz RKSDYDJITYVNNG-KSZLIROESA-N 2 2 369.506 0.171 10 0 FCAELP CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001479656652 1263305429 /nfs/dbraw/zinc/30/54/29/1263305429.db2.gz RKSDYDJITYVNNG-KSZLIROESA-N 2 2 369.506 0.171 10 0 FCAELP CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001479716505 1263382787 /nfs/dbraw/zinc/38/27/87/1263382787.db2.gz HJDZXTZQIRLYFX-UNEWFSDZSA-N 2 2 361.490 0.811 10 0 FCAELP CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001479716505 1263382795 /nfs/dbraw/zinc/38/27/95/1263382795.db2.gz HJDZXTZQIRLYFX-UNEWFSDZSA-N 2 2 361.490 0.811 10 0 FCAELP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)[C@@H]1C)[NH+](C)C ZINC001479724573 1263400035 /nfs/dbraw/zinc/40/00/35/1263400035.db2.gz POQPMZMVYBRFPS-IVMMDQJWSA-N 2 2 367.494 0.140 10 0 FCAELP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)[C@@H]1C)[NH+](C)C ZINC001479724573 1263400038 /nfs/dbraw/zinc/40/00/38/1263400038.db2.gz POQPMZMVYBRFPS-IVMMDQJWSA-N 2 2 367.494 0.140 10 0 FCAELP CC(C)CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001479728029 1263404148 /nfs/dbraw/zinc/40/41/48/1263404148.db2.gz XFNSEYDZYOYCIP-BBWFWOEESA-N 2 2 368.522 0.306 10 0 FCAELP CC(C)CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001479728029 1263404153 /nfs/dbraw/zinc/40/41/53/1263404153.db2.gz XFNSEYDZYOYCIP-BBWFWOEESA-N 2 2 368.522 0.306 10 0 FCAELP O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1)NC[C@@H]1CCCO1 ZINC001316670171 1263413652 /nfs/dbraw/zinc/41/36/52/1263413652.db2.gz HWFIEODQDWJUJI-XHSDSOJGSA-N 2 2 363.462 0.053 10 0 FCAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[C@@H]([NH2+]Cc2cn(CC3CC3)nn2)C1 ZINC001316671221 1263413684 /nfs/dbraw/zinc/41/36/84/1263413684.db2.gz NTNHHCHVLXZGHS-JKSUJKDBSA-N 2 2 357.462 0.959 10 0 FCAELP O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1)NC[C@H]1CCCO1 ZINC001316670169 1263414011 /nfs/dbraw/zinc/41/40/11/1263414011.db2.gz HWFIEODQDWJUJI-ARFHVFGLSA-N 2 2 363.462 0.053 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCOCCO)C1 ZINC001480264341 1263427424 /nfs/dbraw/zinc/42/74/24/1263427424.db2.gz YGEPTELNCRXTQQ-BZUAXINKSA-N 2 2 350.463 0.361 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCOCCO)C1 ZINC001480264341 1263427430 /nfs/dbraw/zinc/42/74/30/1263427430.db2.gz YGEPTELNCRXTQQ-BZUAXINKSA-N 2 2 350.463 0.361 10 0 FCAELP C[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](C[NH2+]CCn2cncn2)C1 ZINC001316701912 1263429894 /nfs/dbraw/zinc/42/98/94/1263429894.db2.gz JDHODRNSLFOMGP-NUJGCVRESA-N 2 2 371.489 0.954 10 0 FCAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CC(=O)N(C)Cc1ccco1 ZINC001480481211 1263431601 /nfs/dbraw/zinc/43/16/01/1263431601.db2.gz JUXBSISDXZAHCM-BPLDGKMQSA-N 2 2 359.430 0.859 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)CC[N@@H+]1Cc1ccnn1C ZINC001316742171 1263451027 /nfs/dbraw/zinc/45/10/27/1263451027.db2.gz KUTPGVSPVVMBAM-BPQIPLTHSA-N 2 2 363.506 0.858 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)CC[N@H+]1Cc1ccnn1C ZINC001316742171 1263451028 /nfs/dbraw/zinc/45/10/28/1263451028.db2.gz KUTPGVSPVVMBAM-BPQIPLTHSA-N 2 2 363.506 0.858 10 0 FCAELP Cn1cc(CC[N@@H+]2CC[C@@](O)(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cn1 ZINC001484222426 1263460173 /nfs/dbraw/zinc/46/01/73/1263460173.db2.gz ALHKJHIBDJPVQW-IIDMSEBBSA-N 2 2 358.446 0.042 10 0 FCAELP Cn1cc(CC[N@H+]2CC[C@@](O)(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cn1 ZINC001484222426 1263460177 /nfs/dbraw/zinc/46/01/77/1263460177.db2.gz ALHKJHIBDJPVQW-IIDMSEBBSA-N 2 2 358.446 0.042 10 0 FCAELP Cn1cc(CC[N@@H+]2CC[C@@](O)(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cn1 ZINC001484222426 1263460181 /nfs/dbraw/zinc/46/01/81/1263460181.db2.gz ALHKJHIBDJPVQW-IIDMSEBBSA-N 2 2 358.446 0.042 10 0 FCAELP Cn1cc(CC[N@H+]2CC[C@@](O)(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cn1 ZINC001484222426 1263460185 /nfs/dbraw/zinc/46/01/85/1263460185.db2.gz ALHKJHIBDJPVQW-IIDMSEBBSA-N 2 2 358.446 0.042 10 0 FCAELP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CC[C@@H](CC[NH2+]CCF)C1 ZINC001484533158 1263478216 /nfs/dbraw/zinc/47/82/16/1263478216.db2.gz SSFMASWAWSHLTO-ZACQAIPSSA-N 2 2 357.470 0.664 10 0 FCAELP O=C(C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)NC[C@H]1CCCO1 ZINC001317082310 1263500411 /nfs/dbraw/zinc/50/04/11/1263500411.db2.gz MYTYDJOLCDUSLN-KJWHEZOQSA-N 2 2 361.446 0.045 10 0 FCAELP O=C(C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)NC[C@H]1CCCO1 ZINC001317082310 1263500419 /nfs/dbraw/zinc/50/04/19/1263500419.db2.gz MYTYDJOLCDUSLN-KJWHEZOQSA-N 2 2 361.446 0.045 10 0 FCAELP CC(C)CNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC001485570834 1263510443 /nfs/dbraw/zinc/51/04/43/1263510443.db2.gz UBDOYPUQKRAYPU-BZUAXINKSA-N 2 2 352.523 0.925 10 0 FCAELP CC(C)CNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC001485570834 1263510446 /nfs/dbraw/zinc/51/04/46/1263510446.db2.gz UBDOYPUQKRAYPU-BZUAXINKSA-N 2 2 352.523 0.925 10 0 FCAELP CC(C)CNC(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC001485570834 1263510450 /nfs/dbraw/zinc/51/04/50/1263510450.db2.gz UBDOYPUQKRAYPU-BZUAXINKSA-N 2 2 352.523 0.925 10 0 FCAELP CC(C)CNC(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC001485570834 1263510454 /nfs/dbraw/zinc/51/04/54/1263510454.db2.gz UBDOYPUQKRAYPU-BZUAXINKSA-N 2 2 352.523 0.925 10 0 FCAELP CN(C[C@H](O)C[N@H+](C)Cc1cccnc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001486350594 1263534210 /nfs/dbraw/zinc/53/42/10/1263534210.db2.gz LHFSKGKEETUJAN-BRWVUGGUSA-N 2 2 357.458 0.870 10 0 FCAELP CN(C[C@H](O)C[N@@H+](C)Cc1cccnc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001486350594 1263534212 /nfs/dbraw/zinc/53/42/12/1263534212.db2.gz LHFSKGKEETUJAN-BRWVUGGUSA-N 2 2 357.458 0.870 10 0 FCAELP C[N@@H+]1C[C@H](C(=O)NCCCNC(=O)Cc2[nH]cc[nH+]2)[C@@H](c2ccccc2)C1 ZINC001491768996 1263623778 /nfs/dbraw/zinc/62/37/78/1263623778.db2.gz OBDUYQMLNVITQC-SJORKVTESA-N 2 2 369.469 0.920 10 0 FCAELP C[N@H+]1C[C@H](C(=O)NCCCNC(=O)Cc2[nH]cc[nH+]2)[C@@H](c2ccccc2)C1 ZINC001491768996 1263623785 /nfs/dbraw/zinc/62/37/85/1263623785.db2.gz OBDUYQMLNVITQC-SJORKVTESA-N 2 2 369.469 0.920 10 0 FCAELP CN(C)C(=O)C[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001318918584 1263627335 /nfs/dbraw/zinc/62/73/35/1263627335.db2.gz XRDMMNNLBGBTAE-HZPDHXFCSA-N 2 2 361.490 0.830 10 0 FCAELP 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CCC[N@@H+](C)CC(=O)N1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001705409379 1286387482 /nfs/dbraw/zinc/38/74/82/1286387482.db2.gz LTAIOTNZMRNSTP-CLCXKQKWSA-N 2 2 361.490 0.973 10 0 FCAELP CCOCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001707040057 1286434702 /nfs/dbraw/zinc/43/47/02/1286434702.db2.gz DMSFHVIEGZFKTF-BRWVUGGUSA-N 2 2 366.506 0.014 10 0 FCAELP CCOCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001707040057 1286434704 /nfs/dbraw/zinc/43/47/04/1286434704.db2.gz DMSFHVIEGZFKTF-BRWVUGGUSA-N 2 2 366.506 0.014 10 0 FCAELP CCOCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001707040057 1286434707 /nfs/dbraw/zinc/43/47/07/1286434707.db2.gz DMSFHVIEGZFKTF-BRWVUGGUSA-N 2 2 366.506 0.014 10 0 FCAELP CCOCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001707040057 1286434711 /nfs/dbraw/zinc/43/47/11/1286434711.db2.gz DMSFHVIEGZFKTF-BRWVUGGUSA-N 2 2 366.506 0.014 10 0 FCAELP Cn1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)CC[NH+](C)C)C2)nn1 ZINC001707096939 1286440019 /nfs/dbraw/zinc/44/00/19/1286440019.db2.gz INBIZAWWLNSCFO-ZWKOTPCHSA-N 2 2 356.474 0.851 10 0 FCAELP Cn1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)CC[NH+](C)C)C2)nn1 ZINC001707096939 1286440024 /nfs/dbraw/zinc/44/00/24/1286440024.db2.gz INBIZAWWLNSCFO-ZWKOTPCHSA-N 2 2 356.474 0.851 10 0 FCAELP Cn1ncc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)CC[NH+](C)C)C2)n1 ZINC001707097369 1286440069 /nfs/dbraw/zinc/44/00/69/1286440069.db2.gz JRZZOQVWXIJDCL-ZWKOTPCHSA-N 2 2 356.474 0.851 10 0 FCAELP Cn1ncc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)CC[NH+](C)C)C2)n1 ZINC001707097369 1286440072 /nfs/dbraw/zinc/44/00/72/1286440072.db2.gz JRZZOQVWXIJDCL-ZWKOTPCHSA-N 2 2 356.474 0.851 10 0 FCAELP CS(=O)(=O)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001707107525 1286447079 /nfs/dbraw/zinc/44/70/79/1286447079.db2.gz NHFYEYVKQHKXQH-SOUVJXGZSA-N 2 2 368.503 0.365 10 0 FCAELP CCO[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C[NH2+][C@H](C)C(N)=O ZINC001707145239 1286471355 /nfs/dbraw/zinc/47/13/55/1286471355.db2.gz VNTQTKTXWIQMFX-BZUAXINKSA-N 2 2 362.474 0.947 10 0 FCAELP CCO[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]CC[C@H]1CCOC1 ZINC001707153514 1286476319 /nfs/dbraw/zinc/47/63/19/1286476319.db2.gz JZTSVBZDAXAOQH-LZLYRXPVSA-N 2 2 364.490 0.842 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001707200560 1286506719 /nfs/dbraw/zinc/50/67/19/1286506719.db2.gz IRKNNHHSIGCTEI-DLBZAZTESA-N 2 2 366.506 0.299 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1CC(=O)N(C)C1CC1 ZINC001707200560 1286506726 /nfs/dbraw/zinc/50/67/26/1286506726.db2.gz IRKNNHHSIGCTEI-DLBZAZTESA-N 2 2 366.506 0.299 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1C[C@H]1CCCS(=O)(=O)C1 ZINC001707256791 1287109418 /nfs/dbraw/zinc/10/94/18/1287109418.db2.gz SGATYPOVGGFLPA-OAGGEKHMSA-N 2 2 371.547 0.875 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1C[C@H]1CCCS(=O)(=O)C1 ZINC001707256791 1287109421 /nfs/dbraw/zinc/10/94/21/1287109421.db2.gz SGATYPOVGGFLPA-OAGGEKHMSA-N 2 2 371.547 0.875 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CC(=O)NCc1ccco1 ZINC001707264766 1287121888 /nfs/dbraw/zinc/12/18/88/1287121888.db2.gz QCMGVKFYLGUNSL-ZBFHGGJFSA-N 2 2 360.458 0.571 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CC(=O)NCc1ccco1 ZINC001707264766 1287121890 /nfs/dbraw/zinc/12/18/90/1287121890.db2.gz QCMGVKFYLGUNSL-ZBFHGGJFSA-N 2 2 360.458 0.571 10 0 FCAELP CO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001719227913 1287901051 /nfs/dbraw/zinc/90/10/51/1287901051.db2.gz QUGJZZDPFLMXDQ-RBSFLKMASA-N 2 2 351.451 0.128 10 0 FCAELP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001719453855 1288121867 /nfs/dbraw/zinc/12/18/67/1288121867.db2.gz FMKOWSGOMZDHRN-ARFHVFGLSA-N 2 2 354.495 0.058 10 0 FCAELP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001719453855 1288121877 /nfs/dbraw/zinc/12/18/77/1288121877.db2.gz FMKOWSGOMZDHRN-ARFHVFGLSA-N 2 2 354.495 0.058 10 0 FCAELP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001719453855 1288121882 /nfs/dbraw/zinc/12/18/82/1288121882.db2.gz FMKOWSGOMZDHRN-ARFHVFGLSA-N 2 2 354.495 0.058 10 0 FCAELP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001721200243 1288310448 /nfs/dbraw/zinc/31/04/48/1288310448.db2.gz GXLXAXFNMQYWTQ-BZUAXINKSA-N 2 2 361.490 0.971 10 0 FCAELP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001721200243 1288310455 /nfs/dbraw/zinc/31/04/55/1288310455.db2.gz GXLXAXFNMQYWTQ-BZUAXINKSA-N 2 2 361.490 0.971 10 0 FCAELP O=C(C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)NCC1CC1 ZINC001724712343 1288447887 /nfs/dbraw/zinc/44/78/87/1288447887.db2.gz RNFHFECNAKTYHM-ARFHVFGLSA-N 2 2 359.474 0.868 10 0 FCAELP O=C(C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)NCC1CC1 ZINC001724712343 1288447894 /nfs/dbraw/zinc/44/78/94/1288447894.db2.gz RNFHFECNAKTYHM-ARFHVFGLSA-N 2 2 359.474 0.868 10 0 FCAELP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCO[C@@H](C[NH2+]CCOCC(F)F)C1 ZINC001724814535 1288450694 /nfs/dbraw/zinc/45/06/94/1288450694.db2.gz ISURSORXWDWOMU-YNEHKIRRSA-N 2 2 358.389 0.612 10 0 FCAELP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCO[C@@H](C[NH2+]CCOCC(F)F)C1 ZINC001724814535 1288450697 /nfs/dbraw/zinc/45/06/97/1288450697.db2.gz ISURSORXWDWOMU-YNEHKIRRSA-N 2 2 358.389 0.612 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[N@H+](C1CC1)[C@H]1CCCNC1=O ZINC001731340518 1288552170 /nfs/dbraw/zinc/55/21/70/1288552170.db2.gz IARZIXIQINWHLO-OAGGEKHMSA-N 2 2 359.474 0.773 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[N@@H+](C1CC1)[C@H]1CCCNC1=O ZINC001731340518 1288552173 /nfs/dbraw/zinc/55/21/73/1288552173.db2.gz IARZIXIQINWHLO-OAGGEKHMSA-N 2 2 359.474 0.773 10 0 FCAELP CC(C)NC(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001731486632 1288558646 /nfs/dbraw/zinc/55/86/46/1288558646.db2.gz SJYUOQKXDCIWFH-LXTVHRRPSA-N 2 2 362.478 0.468 10 0 FCAELP CC(C)NC(=O)NCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001732424908 1288583625 /nfs/dbraw/zinc/58/36/25/1288583625.db2.gz LUEIFLIMLNSIHF-MGPQQGTHSA-N 2 2 350.467 0.657 10 0 FCAELP CC(C)NC(=O)NCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001732424908 1288583626 /nfs/dbraw/zinc/58/36/26/1288583626.db2.gz LUEIFLIMLNSIHF-MGPQQGTHSA-N 2 2 350.467 0.657 10 0 FCAELP CN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C1C[NH+](CCOCCO)C1 ZINC001733313884 1288609316 /nfs/dbraw/zinc/60/93/16/1288609316.db2.gz WSSCFVQWMXTDTR-MOPGFXCFSA-N 2 2 361.486 0.483 10 0 FCAELP CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C1C[NH+](CCOCCO)C1 ZINC001733313884 1288609322 /nfs/dbraw/zinc/60/93/22/1288609322.db2.gz WSSCFVQWMXTDTR-MOPGFXCFSA-N 2 2 361.486 0.483 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[NH+](Cc3nnc(C)o3)C2)CC[N@@H+]1C ZINC001733483611 1288612986 /nfs/dbraw/zinc/61/29/86/1288612986.db2.gz UUWZXAIUXCUXRE-VBQJREDUSA-N 2 2 351.451 0.161 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[NH+](Cc3nnc(C)o3)C2)CC[N@H+]1C ZINC001733483611 1288612991 /nfs/dbraw/zinc/61/29/91/1288612991.db2.gz UUWZXAIUXCUXRE-VBQJREDUSA-N 2 2 351.451 0.161 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](Cc3nnc(C)o3)C2)CC[NH+]1C ZINC001733483611 1288612995 /nfs/dbraw/zinc/61/29/95/1288612995.db2.gz UUWZXAIUXCUXRE-VBQJREDUSA-N 2 2 351.451 0.161 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](Cc3nnc(C)o3)C2)CC[NH+]1C ZINC001733483611 1288612998 /nfs/dbraw/zinc/61/29/98/1288612998.db2.gz UUWZXAIUXCUXRE-VBQJREDUSA-N 2 2 351.451 0.161 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@@]2(CO)CCC[NH+](CC(=O)NC(C)(C)C)C2)CC[N@@H+]1C ZINC001733590178 1288622239 /nfs/dbraw/zinc/62/22/39/1288622239.db2.gz YAAPPILEXVXTIZ-CLCXKQKWSA-N 2 2 368.522 0.184 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@@]2(CO)CCC[NH+](CC(=O)NC(C)(C)C)C2)CC[N@H+]1C ZINC001733590178 1288622243 /nfs/dbraw/zinc/62/22/43/1288622243.db2.gz YAAPPILEXVXTIZ-CLCXKQKWSA-N 2 2 368.522 0.184 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@@]2(CO)CCC[N@H+](CC(=O)NC(C)(C)C)C2)CC[NH+]1C ZINC001733590178 1288622249 /nfs/dbraw/zinc/62/22/49/1288622249.db2.gz YAAPPILEXVXTIZ-CLCXKQKWSA-N 2 2 368.522 0.184 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@@]2(CO)CCC[N@@H+](CC(=O)NC(C)(C)C)C2)CC[NH+]1C ZINC001733590178 1288622252 /nfs/dbraw/zinc/62/22/52/1288622252.db2.gz YAAPPILEXVXTIZ-CLCXKQKWSA-N 2 2 368.522 0.184 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N[C@]2(CO)CCC[NH+](CC(=O)NC(C)C)C2)CC[N@@H+]1C ZINC001733589861 1288622732 /nfs/dbraw/zinc/62/27/32/1288622732.db2.gz WHQIZDUUIUXZEV-FRQCXROJSA-N 2 2 368.522 0.184 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N[C@]2(CO)CCC[NH+](CC(=O)NC(C)C)C2)CC[N@H+]1C ZINC001733589861 1288622735 /nfs/dbraw/zinc/62/27/35/1288622735.db2.gz WHQIZDUUIUXZEV-FRQCXROJSA-N 2 2 368.522 0.184 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N[C@]2(CO)CCC[N@H+](CC(=O)NC(C)C)C2)CC[NH+]1C ZINC001733589861 1288622738 /nfs/dbraw/zinc/62/27/38/1288622738.db2.gz WHQIZDUUIUXZEV-FRQCXROJSA-N 2 2 368.522 0.184 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N[C@]2(CO)CCC[N@@H+](CC(=O)NC(C)C)C2)CC[NH+]1C ZINC001733589861 1288622740 /nfs/dbraw/zinc/62/27/40/1288622740.db2.gz WHQIZDUUIUXZEV-FRQCXROJSA-N 2 2 368.522 0.184 10 0 FCAELP C[C@H](O)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001734018482 1288638106 /nfs/dbraw/zinc/63/81/06/1288638106.db2.gz LTAWNSMIMFCHLV-BBWFWOEESA-N 2 2 371.522 0.321 10 0 FCAELP CCc1onc(C)c1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001734376580 1288653668 /nfs/dbraw/zinc/65/36/68/1288653668.db2.gz MMHKCUTWCYQFEA-MGPQQGTHSA-N 2 2 361.446 0.649 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CCN1C(=O)CC[NH+](C)C ZINC001736198601 1289196315 /nfs/dbraw/zinc/19/63/15/1289196315.db2.gz LLSAXMZNUCGGIR-BHYGNILZSA-N 2 2 361.490 0.893 10 0 FCAELP CCC[N@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001736337959 1289264695 /nfs/dbraw/zinc/26/46/95/1289264695.db2.gz OWFUTXFBKBZYJP-HNAYVOBHSA-N 2 2 361.490 0.611 10 0 FCAELP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001736337959 1289264701 /nfs/dbraw/zinc/26/47/01/1289264701.db2.gz OWFUTXFBKBZYJP-HNAYVOBHSA-N 2 2 361.490 0.611 10 0 FCAELP C[C@@H](CCC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001700675612 1289601273 /nfs/dbraw/zinc/60/12/73/1289601273.db2.gz KSQVTOLIXRNINZ-YNEHKIRRSA-N 2 2 361.450 0.020 10 0 FCAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001701415407 1289652921 /nfs/dbraw/zinc/65/29/21/1289652921.db2.gz KNQINWWWXYILBA-CEEVZKBLSA-N 2 2 361.490 0.940 10 0 FCAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001701415407 1289652930 /nfs/dbraw/zinc/65/29/30/1289652930.db2.gz KNQINWWWXYILBA-CEEVZKBLSA-N 2 2 361.490 0.940 10 0 FCAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001701415407 1289652937 /nfs/dbraw/zinc/65/29/37/1289652937.db2.gz KNQINWWWXYILBA-CEEVZKBLSA-N 2 2 361.490 0.940 10 0 FCAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001701415407 1289652942 /nfs/dbraw/zinc/65/29/42/1289652942.db2.gz KNQINWWWXYILBA-CEEVZKBLSA-N 2 2 361.490 0.940 10 0 FCAELP C[C@H](CC[NH+](C)C)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001627190399 1290445580 /nfs/dbraw/zinc/44/55/80/1290445580.db2.gz YHZDZANLOSNQKI-MRXNPFEDSA-N 2 2 361.490 0.824 10 0 FCAELP Cc1c[nH+]cn1CC(=O)N1CC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@H]1C ZINC001740092574 1290488714 /nfs/dbraw/zinc/48/87/14/1290488714.db2.gz ADUUCHXQPJWKAG-ZBFHGGJFSA-N 2 2 358.446 0.663 10 0 FCAELP C[NH+](C)[C@@]1(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)COc2ccccc2C1 ZINC001627864956 1290490225 /nfs/dbraw/zinc/49/02/25/1290490225.db2.gz DJIOLCHCXIEKFZ-YLJYHZDGSA-N 2 2 361.486 0.885 10 0 FCAELP C[NH+](C)[C@@]1(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)COc2ccccc2C1 ZINC001627864956 1290490231 /nfs/dbraw/zinc/49/02/31/1290490231.db2.gz DJIOLCHCXIEKFZ-YLJYHZDGSA-N 2 2 361.486 0.885 10 0 FCAELP Cn1ncnc1C1(O)CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001654685871 1291427875 /nfs/dbraw/zinc/42/78/75/1291427875.db2.gz RKHXKXQNRWIGGX-IBGZPJMESA-N 2 2 371.485 0.736 10 0 FCAELP Cn1ncnc1C1(O)CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001654685871 1291427884 /nfs/dbraw/zinc/42/78/84/1291427884.db2.gz RKHXKXQNRWIGGX-IBGZPJMESA-N 2 2 371.485 0.736 10 0 FCAELP COCCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1cnn(C)c1 ZINC001656411784 1291522276 /nfs/dbraw/zinc/52/22/76/1291522276.db2.gz HKWCANPQZYKYSO-JKSUJKDBSA-N 2 2 360.462 0.697 10 0 FCAELP CCCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1CC ZINC001656759763 1291560937 /nfs/dbraw/zinc/56/09/37/1291560937.db2.gz RCHDPYGNLYZUAY-GVDBMIGSSA-N 2 2 368.522 0.593 10 0 FCAELP CCCCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1CC ZINC001656759763 1291560941 /nfs/dbraw/zinc/56/09/41/1291560941.db2.gz RCHDPYGNLYZUAY-GVDBMIGSSA-N 2 2 368.522 0.593 10 0 FCAELP CCCCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H]1CC ZINC001656759763 1291560942 /nfs/dbraw/zinc/56/09/42/1291560942.db2.gz RCHDPYGNLYZUAY-GVDBMIGSSA-N 2 2 368.522 0.593 10 0 FCAELP CCCCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H]1CC ZINC001656759763 1291560947 /nfs/dbraw/zinc/56/09/47/1291560947.db2.gz RCHDPYGNLYZUAY-GVDBMIGSSA-N 2 2 368.522 0.593 10 0 FCAELP CCn1nncc1C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001657039780 1291590535 /nfs/dbraw/zinc/59/05/35/1291590535.db2.gz IYGFTASPBRGRHW-UXLLHSPISA-N 2 2 364.494 0.345 10 0 FCAELP CCn1nncc1C[N@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001657039780 1291590543 /nfs/dbraw/zinc/59/05/43/1291590543.db2.gz IYGFTASPBRGRHW-UXLLHSPISA-N 2 2 364.494 0.345 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](C[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001662686034 1291731838 /nfs/dbraw/zinc/73/18/38/1291731838.db2.gz VDIJEPHDSWTBBW-RBSFLKMASA-N 2 2 361.490 0.876 10 0 FCAELP Cc1ncc(C[NH2+]CCN(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)o1 ZINC001664090326 1291787274 /nfs/dbraw/zinc/78/72/74/1291787274.db2.gz RBGBQEXMBJEKAC-WBVHZDCISA-N 2 2 366.462 0.411 10 0 FCAELP CCCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001664740669 1291807999 /nfs/dbraw/zinc/80/79/99/1291807999.db2.gz INAHNAPLTNCOKF-BZUAXINKSA-N 2 2 361.490 0.878 10 0 FCAELP CCCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001664740669 1291808012 /nfs/dbraw/zinc/80/80/12/1291808012.db2.gz INAHNAPLTNCOKF-BZUAXINKSA-N 2 2 361.490 0.878 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CC(=O)NC[C@H]3CCCO3)C2)CC[N@@H+]1C ZINC001665283427 1291849928 /nfs/dbraw/zinc/84/99/28/1291849928.db2.gz DHBQINDEJOFSKI-IXDOHACOSA-N 2 2 366.506 0.060 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CC(=O)NC[C@H]3CCCO3)C2)CC[N@H+]1C ZINC001665283427 1291849938 /nfs/dbraw/zinc/84/99/38/1291849938.db2.gz DHBQINDEJOFSKI-IXDOHACOSA-N 2 2 366.506 0.060 10 0 FCAELP CS(=O)(=O)CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001666291317 1291907100 /nfs/dbraw/zinc/90/71/00/1291907100.db2.gz XFAWVKJICPTESB-KBUPBQIOSA-N 2 2 368.503 0.965 10 0 FCAELP CS(=O)(=O)CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001666291317 1291907108 /nfs/dbraw/zinc/90/71/08/1291907108.db2.gz XFAWVKJICPTESB-KBUPBQIOSA-N 2 2 368.503 0.965 10 0 FCAELP CCCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCOCC1 ZINC001671934606 1292053497 /nfs/dbraw/zinc/05/34/97/1292053497.db2.gz ATGQOXFZWBGYRA-ZIAGYGMSSA-N 2 2 363.462 0.294 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[NH+](CCOCCO)CC2 ZINC001673016810 1292097561 /nfs/dbraw/zinc/09/75/61/1292097561.db2.gz QJIDHCXLKFSHDX-HZPDHXFCSA-N 2 2 362.474 0.457 10 0 FCAELP O=C(NC[C@@H](CO)[NH2+]CC1CCCC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001676560415 1292210348 /nfs/dbraw/zinc/21/03/48/1292210348.db2.gz VTBJGINBRPUKBQ-KSZLIROESA-N 2 2 369.506 0.123 10 0 FCAELP CN(C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1(C)C)C1CC1 ZINC001677003969 1292222588 /nfs/dbraw/zinc/22/25/88/1292222588.db2.gz MRKAVNVKWBPKHK-IIAWOOMASA-N 2 2 359.474 0.961 10 0 FCAELP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001679108649 1292293644 /nfs/dbraw/zinc/29/36/44/1292293644.db2.gz WSOOCIBSIJOFAM-KLHDSHLOSA-N 2 2 361.490 0.876 10 0 FCAELP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001679108649 1292293649 /nfs/dbraw/zinc/29/36/49/1292293649.db2.gz WSOOCIBSIJOFAM-KLHDSHLOSA-N 2 2 361.490 0.876 10 0 FCAELP COCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C2)C1 ZINC001686305636 1292893951 /nfs/dbraw/zinc/89/39/51/1292893951.db2.gz IBKFULYGUASNBI-SJORKVTESA-N 2 2 367.490 0.047 10 0 FCAELP COCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C2)C1 ZINC001686305636 1292893966 /nfs/dbraw/zinc/89/39/66/1292893966.db2.gz IBKFULYGUASNBI-SJORKVTESA-N 2 2 367.490 0.047 10 0 FCAELP CN(CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001687635286 1292996853 /nfs/dbraw/zinc/99/68/53/1292996853.db2.gz RLQVKYIGMKECBU-OAGGEKHMSA-N 2 2 361.490 0.973 10 0 FCAELP CN(CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001687635286 1292996864 /nfs/dbraw/zinc/99/68/64/1292996864.db2.gz RLQVKYIGMKECBU-OAGGEKHMSA-N 2 2 361.490 0.973 10 0 FCAELP C[C@H](NC(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1)[C@H]1CN(C)CC[N@@H+]1C ZINC001123693456 848624698 /nfs/dbraw/zinc/62/46/98/848624698.db2.gz AICRLZUJUGTYJC-KFGODFMUSA-N 2 2 351.539 0.992 10 0 FCAELP C[C@H](NC(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1)[C@H]1CN(C)CC[N@H+]1C ZINC001123693456 848624701 /nfs/dbraw/zinc/62/47/01/848624701.db2.gz AICRLZUJUGTYJC-KFGODFMUSA-N 2 2 351.539 0.992 10 0 FCAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001197572908 853134695 /nfs/dbraw/zinc/13/46/95/853134695.db2.gz GKAGFTMOGOJGPS-SJORKVTESA-N 2 2 355.504 0.350 10 0 FCAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001197572908 853134696 /nfs/dbraw/zinc/13/46/96/853134696.db2.gz GKAGFTMOGOJGPS-SJORKVTESA-N 2 2 355.504 0.350 10 0 FCAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001197572908 853134699 /nfs/dbraw/zinc/13/46/99/853134699.db2.gz GKAGFTMOGOJGPS-SJORKVTESA-N 2 2 355.504 0.350 10 0 FCAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001197572908 853134700 /nfs/dbraw/zinc/13/47/00/853134700.db2.gz GKAGFTMOGOJGPS-SJORKVTESA-N 2 2 355.504 0.350 10 0 FCAELP CO[C@H]1C[C@@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC001261796639 858667696 /nfs/dbraw/zinc/66/76/96/858667696.db2.gz IKNHJEZFQDCFDG-FZNQNYSPSA-N 2 2 354.495 0.012 10 0 FCAELP CO[C@H]1C[C@@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC001261796639 858667702 /nfs/dbraw/zinc/66/77/02/858667702.db2.gz IKNHJEZFQDCFDG-FZNQNYSPSA-N 2 2 354.495 0.012 10 0 FCAELP O=C(NC[C@H]1CC[C@@H]([NH2+]CCOCCO)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001263907768 859234284 /nfs/dbraw/zinc/23/42/84/859234284.db2.gz JUCKRGMVANTCMT-ARFHVFGLSA-N 2 2 350.463 0.329 10 0 FCAELP CS(=O)(=O)CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001264393573 859353021 /nfs/dbraw/zinc/35/30/21/859353021.db2.gz DHDFXIISFUSDBU-XJFOESAGSA-N 2 2 354.476 0.432 10 0 FCAELP CS(=O)(=O)CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001264393573 859353028 /nfs/dbraw/zinc/35/30/28/859353028.db2.gz DHDFXIISFUSDBU-XJFOESAGSA-N 2 2 354.476 0.432 10 0 FCAELP CS(=O)(=O)CCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001270756556 859838031 /nfs/dbraw/zinc/83/80/31/859838031.db2.gz FQNXHCZEWHDREO-ZIAGYGMSSA-N 2 2 368.503 0.967 10 0 FCAELP CS(=O)(=O)CCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001270756556 859838037 /nfs/dbraw/zinc/83/80/37/859838037.db2.gz FQNXHCZEWHDREO-ZIAGYGMSSA-N 2 2 368.503 0.967 10 0 FCAELP Cc1nsc(C)c1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001272522476 860174711 /nfs/dbraw/zinc/17/47/11/860174711.db2.gz ZLXUMYOEZTTZKS-MGPQQGTHSA-N 2 2 363.487 0.864 10 0 FCAELP Cc1ncsc1C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001284448199 864565773 /nfs/dbraw/zinc/56/57/73/864565773.db2.gz MFCGKHJSAXSJHO-BFHYXJOUSA-N 2 2 363.487 0.898 10 0 FCAELP CN(C[C@H](O)C[NH2+]CC1CCOCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001284446960 864565875 /nfs/dbraw/zinc/56/58/75/864565875.db2.gz BPDVUGACZSUWRV-BZUAXINKSA-N 2 2 350.463 0.359 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CSC1(C)C ZINC001324213828 869510487 /nfs/dbraw/zinc/51/04/87/869510487.db2.gz LWZJQJGDMWHHPA-AWEZNQCLSA-N 2 2 356.536 0.481 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CSC1(C)C ZINC001324213828 869510492 /nfs/dbraw/zinc/51/04/92/869510492.db2.gz LWZJQJGDMWHHPA-AWEZNQCLSA-N 2 2 356.536 0.481 10 0 FCAELP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)C[N@@H+]2C1 ZINC001345932051 871567829 /nfs/dbraw/zinc/56/78/29/871567829.db2.gz NGVBAEVOFNWUDW-INMHGKMJSA-N 2 2 371.547 0.732 10 0 FCAELP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)C[N@H+]2C1 ZINC001345932051 871567830 /nfs/dbraw/zinc/56/78/30/871567830.db2.gz NGVBAEVOFNWUDW-INMHGKMJSA-N 2 2 371.547 0.732 10 0 FCAELP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCC3(C2)OCCO3)[C@H](C)C1 ZINC001346560022 871905303 /nfs/dbraw/zinc/90/53/03/871905303.db2.gz YXRYEWIQOQNJPM-HZPDHXFCSA-N 2 2 354.495 0.807 10 0 FCAELP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCC3(C2)OCCO3)[C@H](C)C1 ZINC001346560022 871905306 /nfs/dbraw/zinc/90/53/06/871905306.db2.gz YXRYEWIQOQNJPM-HZPDHXFCSA-N 2 2 354.495 0.807 10 0 FCAELP CC[NH+]1CC[C@@H](N(C)C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)[C@H](C)C1 ZINC001346560022 871905309 /nfs/dbraw/zinc/90/53/09/871905309.db2.gz YXRYEWIQOQNJPM-HZPDHXFCSA-N 2 2 354.495 0.807 10 0 FCAELP CC[NH+]1CC[C@@H](N(C)C(=O)NCC[N@H+]2CCC3(C2)OCCO3)[C@H](C)C1 ZINC001346560022 871905313 /nfs/dbraw/zinc/90/53/13/871905313.db2.gz YXRYEWIQOQNJPM-HZPDHXFCSA-N 2 2 354.495 0.807 10 0 FCAELP COC[C@H](O)C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001329825208 872288557 /nfs/dbraw/zinc/28/85/57/872288557.db2.gz NWYQHQJTIKCNAI-RBSFLKMASA-N 2 2 350.463 0.929 10 0 FCAELP COC[C@H](O)C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001329825208 872288576 /nfs/dbraw/zinc/28/85/76/872288576.db2.gz NWYQHQJTIKCNAI-RBSFLKMASA-N 2 2 350.463 0.929 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1OC2CCC1CC2 ZINC001329900955 872350768 /nfs/dbraw/zinc/35/07/68/872350768.db2.gz UFJMNVKIPLQTML-UHFFFAOYSA-N 2 2 352.479 0.556 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1OC2CCC1CC2 ZINC001329900955 872350781 /nfs/dbraw/zinc/35/07/81/872350781.db2.gz UFJMNVKIPLQTML-UHFFFAOYSA-N 2 2 352.479 0.556 10 0 FCAELP C[C@H](NC(=O)N1CCOC2(CC[NH+](C)CC2)C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001348265180 872650463 /nfs/dbraw/zinc/65/04/63/872650463.db2.gz UKEZKUODFGYWCQ-HOTGVXAUSA-N 2 2 353.511 0.127 10 0 FCAELP C[C@H](NC(=O)N1CCOC2(CC[NH+](C)CC2)C1)[C@@H]1CN(C)CC[N@H+]1C ZINC001348265180 872650468 /nfs/dbraw/zinc/65/04/68/872650468.db2.gz UKEZKUODFGYWCQ-HOTGVXAUSA-N 2 2 353.511 0.127 10 0 FCAELP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)N(CCC(N)=O)Cc3ccccc3)C2)C1 ZINC000292064063 214073432 /nfs/dbraw/zinc/07/34/32/214073432.db2.gz CWPLGXPGGQYMLH-FQEVSTJZSA-N 2 2 358.486 0.918 10 0 FCAELP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)N(CCC(N)=O)Cc3ccccc3)C2)C1 ZINC000292064063 214073434 /nfs/dbraw/zinc/07/34/34/214073434.db2.gz CWPLGXPGGQYMLH-FQEVSTJZSA-N 2 2 358.486 0.918 10 0 FCAELP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)N(CCC(N)=O)Cc3ccccc3)C2)C1 ZINC000292064063 214073438 /nfs/dbraw/zinc/07/34/38/214073438.db2.gz CWPLGXPGGQYMLH-FQEVSTJZSA-N 2 2 358.486 0.918 10 0 FCAELP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)N(CCC(N)=O)Cc3ccccc3)C2)C1 ZINC000292064063 214073442 /nfs/dbraw/zinc/07/34/42/214073442.db2.gz CWPLGXPGGQYMLH-FQEVSTJZSA-N 2 2 358.486 0.918 10 0 FCAELP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292099391 214077131 /nfs/dbraw/zinc/07/71/31/214077131.db2.gz HRNVYJOTALJZEZ-CXAGYDPISA-N 2 2 366.487 0.689 10 0 FCAELP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292099391 214077134 /nfs/dbraw/zinc/07/71/34/214077134.db2.gz HRNVYJOTALJZEZ-CXAGYDPISA-N 2 2 366.487 0.689 10 0 FCAELP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292099391 214077137 /nfs/dbraw/zinc/07/71/37/214077137.db2.gz HRNVYJOTALJZEZ-CXAGYDPISA-N 2 2 366.487 0.689 10 0 FCAELP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292099391 214077141 /nfs/dbraw/zinc/07/71/41/214077141.db2.gz HRNVYJOTALJZEZ-CXAGYDPISA-N 2 2 366.487 0.689 10 0 FCAELP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)NCCOc3ccc4c(c3)OCO4)C2)C1 ZINC000292091593 214077248 /nfs/dbraw/zinc/07/72/48/214077248.db2.gz GTVUMCWZKQGNKN-IBGZPJMESA-N 2 2 361.442 0.938 10 0 FCAELP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)NCCOc3ccc4c(c3)OCO4)C2)C1 ZINC000292091593 214077250 /nfs/dbraw/zinc/07/72/50/214077250.db2.gz GTVUMCWZKQGNKN-IBGZPJMESA-N 2 2 361.442 0.938 10 0 FCAELP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)NCCOc3ccc4c(c3)OCO4)C2)C1 ZINC000292091593 214077253 /nfs/dbraw/zinc/07/72/53/214077253.db2.gz GTVUMCWZKQGNKN-IBGZPJMESA-N 2 2 361.442 0.938 10 0 FCAELP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)NCCOc3ccc4c(c3)OCO4)C2)C1 ZINC000292091593 214077255 /nfs/dbraw/zinc/07/72/55/214077255.db2.gz GTVUMCWZKQGNKN-IBGZPJMESA-N 2 2 361.442 0.938 10 0 FCAELP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292126302 214080332 /nfs/dbraw/zinc/08/03/32/214080332.db2.gz KRZQIKGTJHGMFQ-JXFKEZNVSA-N 2 2 374.485 0.980 10 0 FCAELP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292126302 214080336 /nfs/dbraw/zinc/08/03/36/214080336.db2.gz KRZQIKGTJHGMFQ-JXFKEZNVSA-N 2 2 374.485 0.980 10 0 FCAELP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292126302 214080338 /nfs/dbraw/zinc/08/03/38/214080338.db2.gz KRZQIKGTJHGMFQ-JXFKEZNVSA-N 2 2 374.485 0.980 10 0 FCAELP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292126302 214080342 /nfs/dbraw/zinc/08/03/42/214080342.db2.gz KRZQIKGTJHGMFQ-JXFKEZNVSA-N 2 2 374.485 0.980 10 0 FCAELP CC[N@@H+]1CC[C@H]2OCCN(C(=O)C[NH+]3CCN(c4ccccn4)CC3)[C@H]2C1 ZINC000293923323 214211465 /nfs/dbraw/zinc/21/14/65/214211465.db2.gz OWXLGUQWGQJKPY-ZWKOTPCHSA-N 2 2 373.501 0.525 10 0 FCAELP CC[N@H+]1CC[C@H]2OCCN(C(=O)C[NH+]3CCN(c4ccccn4)CC3)[C@H]2C1 ZINC000293923323 214211468 /nfs/dbraw/zinc/21/14/68/214211468.db2.gz OWXLGUQWGQJKPY-ZWKOTPCHSA-N 2 2 373.501 0.525 10 0 FCAELP Cc1cc(NC(=O)C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cn2cc[nH+]c12 ZINC000293827638 214204964 /nfs/dbraw/zinc/20/49/64/214204964.db2.gz WUHFMJFUMCSAGX-GJZGRUSLSA-N 2 2 357.414 0.513 10 0 FCAELP Cc1cc(NC(=O)C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cn2cc[nH+]c12 ZINC000293827638 214204967 /nfs/dbraw/zinc/20/49/67/214204967.db2.gz WUHFMJFUMCSAGX-GJZGRUSLSA-N 2 2 357.414 0.513 10 0 FCAELP COc1cc(C[NH+]2CCOC[C@@H](O)C2)cc(C[N@@H+]2CCOC[C@@H](O)C2)c1 ZINC000295437361 214297282 /nfs/dbraw/zinc/29/72/82/214297282.db2.gz DLHBNZPQMOZOLA-ROUUACIJSA-N 2 2 366.458 0.081 10 0 FCAELP COc1cc(C[NH+]2CCOC[C@@H](O)C2)cc(C[N@H+]2CCOC[C@@H](O)C2)c1 ZINC000295437361 214297284 /nfs/dbraw/zinc/29/72/84/214297284.db2.gz DLHBNZPQMOZOLA-ROUUACIJSA-N 2 2 366.458 0.081 10 0 FCAELP O[C@@H]1COCC[NH+](Cc2cc(Cl)cc(C[N@H+]3CCOC[C@@H](O)C3)c2)C1 ZINC000295552673 214304660 /nfs/dbraw/zinc/30/46/60/214304660.db2.gz KLTRGZZQMCUKBF-ROUUACIJSA-N 2 2 370.877 0.726 10 0 FCAELP NS(=O)(=O)c1ccc(NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000265461853 210140641 /nfs/dbraw/zinc/14/06/41/210140641.db2.gz FUCOJPSYSUJJQP-UHFFFAOYSA-N 2 2 363.443 0.875 10 0 FCAELP CN(C(=O)CNC(=O)c1ccccn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000361504223 215395392 /nfs/dbraw/zinc/39/53/92/215395392.db2.gz NYRFTRGJXCOVDB-MRXNPFEDSA-N 2 2 359.474 0.438 10 0 FCAELP CN(C(=O)CNC(=O)c1ccccn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000361504223 215395394 /nfs/dbraw/zinc/39/53/94/215395394.db2.gz NYRFTRGJXCOVDB-MRXNPFEDSA-N 2 2 359.474 0.438 10 0 FCAELP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CC[C@H]4OCC[NH+](C)[C@@H]4C3)cc2C1 ZINC000285111444 213285015 /nfs/dbraw/zinc/28/50/15/213285015.db2.gz HSEQGLRQKLHWDV-IAGOWNOFSA-N 2 2 358.442 0.502 10 0 FCAELP C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CC[C@H]4OCC[NH+](C)[C@@H]4C3)cc2C1 ZINC000285111444 213285017 /nfs/dbraw/zinc/28/50/17/213285017.db2.gz HSEQGLRQKLHWDV-IAGOWNOFSA-N 2 2 358.442 0.502 10 0 FCAELP C[NH+]1Cc2ccc(NC(=O)C(=O)N3CC[C@H]4OCC[N@H+](C)[C@@H]4C3)cc2C1 ZINC000285111444 213285020 /nfs/dbraw/zinc/28/50/20/213285020.db2.gz HSEQGLRQKLHWDV-IAGOWNOFSA-N 2 2 358.442 0.502 10 0 FCAELP C[NH+]1Cc2ccc(NC(=O)C(=O)N3CC[C@H]4OCC[N@@H+](C)[C@@H]4C3)cc2C1 ZINC000285111444 213285021 /nfs/dbraw/zinc/28/50/21/213285021.db2.gz HSEQGLRQKLHWDV-IAGOWNOFSA-N 2 2 358.442 0.502 10 0 FCAELP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000284931117 213251158 /nfs/dbraw/zinc/25/11/58/213251158.db2.gz NPSIVXQZWXWPRT-CZUORRHYSA-N 2 2 368.441 0.482 10 0 FCAELP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000284931117 213251161 /nfs/dbraw/zinc/25/11/61/213251161.db2.gz NPSIVXQZWXWPRT-CZUORRHYSA-N 2 2 368.441 0.482 10 0 FCAELP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1)c1cccs1 ZINC000284624195 213181890 /nfs/dbraw/zinc/18/18/90/213181890.db2.gz YREVYDSVJINATK-CQSZACIVSA-N 2 2 350.488 0.774 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1)C[NH+]1CCCC1 ZINC000284006338 213053472 /nfs/dbraw/zinc/05/34/72/213053472.db2.gz VAAPWIMNUDAABU-HNNXBMFYSA-N 2 2 370.457 0.732 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)CC1 ZINC000412054976 237149986 /nfs/dbraw/zinc/14/99/86/237149986.db2.gz NPRFRHJTGGPHAX-NZSAHSFTSA-N 2 2 361.486 0.567 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](O)[C@H](CO)C2)CC1 ZINC000412054976 237149993 /nfs/dbraw/zinc/14/99/93/237149993.db2.gz NPRFRHJTGGPHAX-NZSAHSFTSA-N 2 2 361.486 0.567 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC3(C2)OCCO3)C1 ZINC000366701404 216018625 /nfs/dbraw/zinc/01/86/25/216018625.db2.gz ONYATUUWNIEXOA-INIZCTEOSA-N 2 2 355.479 0.298 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC3(C2)OCCO3)C1 ZINC000366701404 216018628 /nfs/dbraw/zinc/01/86/28/216018628.db2.gz ONYATUUWNIEXOA-INIZCTEOSA-N 2 2 355.479 0.298 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCCC3(C2)OCCO3)C1 ZINC000366701404 216018629 /nfs/dbraw/zinc/01/86/29/216018629.db2.gz ONYATUUWNIEXOA-INIZCTEOSA-N 2 2 355.479 0.298 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCCC3(C2)OCCO3)C1 ZINC000366701404 216018632 /nfs/dbraw/zinc/01/86/32/216018632.db2.gz ONYATUUWNIEXOA-INIZCTEOSA-N 2 2 355.479 0.298 10 0 FCAELP COCCO[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000366896509 216047302 /nfs/dbraw/zinc/04/73/02/216047302.db2.gz OTJRATZLAISOFK-MSOLQXFVSA-N 2 2 371.522 0.587 10 0 FCAELP COCCO[C@@H]1CCC[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000366896509 216047305 /nfs/dbraw/zinc/04/73/05/216047305.db2.gz OTJRATZLAISOFK-MSOLQXFVSA-N 2 2 371.522 0.587 10 0 FCAELP COCCO[C@@H]1CCC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000366896509 216047306 /nfs/dbraw/zinc/04/73/06/216047306.db2.gz OTJRATZLAISOFK-MSOLQXFVSA-N 2 2 371.522 0.587 10 0 FCAELP COCCO[C@@H]1CCC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000366896509 216047309 /nfs/dbraw/zinc/04/73/09/216047309.db2.gz OTJRATZLAISOFK-MSOLQXFVSA-N 2 2 371.522 0.587 10 0 FCAELP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000367742731 216155933 /nfs/dbraw/zinc/15/59/33/216155933.db2.gz BOAIPGZLMRNINO-IRXDYDNUSA-N 2 2 354.495 0.603 10 0 FCAELP C[C@@H]1C[N@@H+](CC2CCN(C(=O)NC[C@H]3C[NH+](C)CCO3)CC2)C[C@H](C)O1 ZINC000246381025 209385044 /nfs/dbraw/zinc/38/50/44/209385044.db2.gz HPQWMVWCEDGMFL-JZXOWHBKSA-N 2 2 368.522 0.848 10 0 FCAELP C[C@@H]1C[N@H+](CC2CCN(C(=O)NC[C@H]3C[NH+](C)CCO3)CC2)C[C@H](C)O1 ZINC000246381025 209385048 /nfs/dbraw/zinc/38/50/48/209385048.db2.gz HPQWMVWCEDGMFL-JZXOWHBKSA-N 2 2 368.522 0.848 10 0 FCAELP C[C@@H]1C[NH+](CC2CCN(C(=O)NC[C@H]3C[N@H+](C)CCO3)CC2)C[C@H](C)O1 ZINC000246381025 209385051 /nfs/dbraw/zinc/38/50/51/209385051.db2.gz HPQWMVWCEDGMFL-JZXOWHBKSA-N 2 2 368.522 0.848 10 0 FCAELP C[C@@H]1C[NH+](CC2CCN(C(=O)NC[C@H]3C[N@@H+](C)CCO3)CC2)C[C@H](C)O1 ZINC000246381025 209385053 /nfs/dbraw/zinc/38/50/53/209385053.db2.gz HPQWMVWCEDGMFL-JZXOWHBKSA-N 2 2 368.522 0.848 10 0 FCAELP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000245468594 209368500 /nfs/dbraw/zinc/36/85/00/209368500.db2.gz KUPQNXMHNQMJQY-QZTJIDSGSA-N 2 2 354.539 0.969 10 0 FCAELP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000245468594 209368495 /nfs/dbraw/zinc/36/84/95/209368495.db2.gz KUPQNXMHNQMJQY-QZTJIDSGSA-N 2 2 354.539 0.969 10 0 FCAELP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246113088 209380348 /nfs/dbraw/zinc/38/03/48/209380348.db2.gz JUDAMPOQXKKOSS-GJZGRUSLSA-N 2 2 359.474 0.941 10 0 FCAELP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246113088 209380351 /nfs/dbraw/zinc/38/03/51/209380351.db2.gz JUDAMPOQXKKOSS-GJZGRUSLSA-N 2 2 359.474 0.941 10 0 FCAELP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000246146055 209379342 /nfs/dbraw/zinc/37/93/42/209379342.db2.gz GECKQPADGVTZLF-SJORKVTESA-N 2 2 365.522 0.809 10 0 FCAELP CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000246146055 209379345 /nfs/dbraw/zinc/37/93/45/209379345.db2.gz GECKQPADGVTZLF-SJORKVTESA-N 2 2 365.522 0.809 10 0 FCAELP CC[NH2+]Cc1ccccc1NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000237071413 209347719 /nfs/dbraw/zinc/34/77/19/209347719.db2.gz QLLMTHGVRBZHTA-KRWDZBQOSA-N 2 2 374.485 0.915 10 0 FCAELP CCCCOC[C@@H](O)C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000193378883 209311674 /nfs/dbraw/zinc/31/16/74/209311674.db2.gz LEVGWVUDUXCYQI-RBUKOAKNSA-N 2 2 357.539 0.891 10 0 FCAELP C[C@@H](CNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)[NH+]1CCOCC1 ZINC000192150213 209297978 /nfs/dbraw/zinc/29/79/78/209297978.db2.gz NKDGOBBFLUVIBR-KRWDZBQOSA-N 2 2 367.538 0.376 10 0 FCAELP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c(=O)n(C)c1=O ZINC000190477654 209273676 /nfs/dbraw/zinc/27/36/76/209273676.db2.gz TZDBWLSGXQBJIV-INIZCTEOSA-N 2 2 357.458 0.433 10 0 FCAELP Cn1cc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c(=O)n(C)c1=O ZINC000190477654 209273677 /nfs/dbraw/zinc/27/36/77/209273677.db2.gz TZDBWLSGXQBJIV-INIZCTEOSA-N 2 2 357.458 0.433 10 0 FCAELP Cn1cc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c(=O)n(C)c1=O ZINC000190477654 209273679 /nfs/dbraw/zinc/27/36/79/209273679.db2.gz TZDBWLSGXQBJIV-INIZCTEOSA-N 2 2 357.458 0.433 10 0 FCAELP Cn1cc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c(=O)n(C)c1=O ZINC000190477654 209273680 /nfs/dbraw/zinc/27/36/80/209273680.db2.gz TZDBWLSGXQBJIV-INIZCTEOSA-N 2 2 357.458 0.433 10 0 FCAELP C[C@H](CO)N(C[C@H](C)O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000190618669 209274633 /nfs/dbraw/zinc/27/46/33/209274633.db2.gz YBKREDMPPASTCY-SJORKVTESA-N 2 2 370.538 0.710 10 0 FCAELP CCn1cc(C[N@@H+]2CCCN(S(=O)(=O)CC[NH+]3CCCC3)CC2)cn1 ZINC000189614538 209256343 /nfs/dbraw/zinc/25/63/43/209256343.db2.gz JXVMIEVEBOKOFF-UHFFFAOYSA-N 2 2 369.535 0.836 10 0 FCAELP CCn1cc(C[N@H+]2CCCN(S(=O)(=O)CC[NH+]3CCCC3)CC2)cn1 ZINC000189614538 209256346 /nfs/dbraw/zinc/25/63/46/209256346.db2.gz JXVMIEVEBOKOFF-UHFFFAOYSA-N 2 2 369.535 0.836 10 0 FCAELP CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000189453008 209251377 /nfs/dbraw/zinc/25/13/77/209251377.db2.gz XTJMJFHVFVCILE-KRWDZBQOSA-N 2 2 371.441 0.726 10 0 FCAELP CNc1cc(N2CCC[C@H]2CNC(=O)c2[nH]nc3c2C[NH2+]CC3)nc[nH+]1 ZINC000188925866 209241337 /nfs/dbraw/zinc/24/13/37/209241337.db2.gz HIPHTQFKVXVILS-NSHDSACASA-N 2 2 356.434 0.286 10 0 FCAELP CNc1cc(N2CCC[C@H]2CNC(=O)c2[nH]nc3c2C[NH2+]CC3)[nH+]cn1 ZINC000188925866 209241340 /nfs/dbraw/zinc/24/13/40/209241340.db2.gz HIPHTQFKVXVILS-NSHDSACASA-N 2 2 356.434 0.286 10 0 FCAELP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)CC1 ZINC000185992554 209182911 /nfs/dbraw/zinc/18/29/11/209182911.db2.gz LWJJVEMIOAIBMQ-HRCADAONSA-N 2 2 366.506 0.996 10 0 FCAELP C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)CC1 ZINC000185992554 209182915 /nfs/dbraw/zinc/18/29/15/209182915.db2.gz LWJJVEMIOAIBMQ-HRCADAONSA-N 2 2 366.506 0.996 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H](C)O[C@@H](C3CC3)C2)C1 ZINC000373505390 217025610 /nfs/dbraw/zinc/02/56/10/217025610.db2.gz AAQCZJPDUFQSIL-KBAYOESNSA-N 2 2 353.507 0.959 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H](C)O[C@@H](C3CC3)C2)C1 ZINC000373505390 217025613 /nfs/dbraw/zinc/02/56/13/217025613.db2.gz AAQCZJPDUFQSIL-KBAYOESNSA-N 2 2 353.507 0.959 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)C1 ZINC000373505390 217025618 /nfs/dbraw/zinc/02/56/18/217025618.db2.gz AAQCZJPDUFQSIL-KBAYOESNSA-N 2 2 353.507 0.959 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)C1 ZINC000373505390 217025621 /nfs/dbraw/zinc/02/56/21/217025621.db2.gz AAQCZJPDUFQSIL-KBAYOESNSA-N 2 2 353.507 0.959 10 0 FCAELP CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000375315248 217248960 /nfs/dbraw/zinc/24/89/60/217248960.db2.gz BDIGTNRSDAMXOB-QZTJIDSGSA-N 2 2 357.539 0.531 10 0 FCAELP CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000375315248 217248963 /nfs/dbraw/zinc/24/89/63/217248963.db2.gz BDIGTNRSDAMXOB-QZTJIDSGSA-N 2 2 357.539 0.531 10 0 FCAELP Cn1cc([C@H]2C[NH2+]CCN2C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cn1 ZINC000181414595 209112398 /nfs/dbraw/zinc/11/23/98/209112398.db2.gz SHMQBQGXPITTGA-RTBURBONSA-N 2 2 369.469 0.794 10 0 FCAELP Cn1cc([C@H]2C[NH2+]CCN2C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cn1 ZINC000181414595 209112401 /nfs/dbraw/zinc/11/24/01/209112401.db2.gz SHMQBQGXPITTGA-RTBURBONSA-N 2 2 369.469 0.794 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(c3nnc4n3CCC4)CC2)CC1 ZINC000375778152 217312924 /nfs/dbraw/zinc/31/29/24/217312924.db2.gz RVQNZTCWXQKRPF-HNNXBMFYSA-N 2 2 360.506 0.956 10 0 FCAELP C[N@H+]1[C@@H]2CC[C@H]1CC(N1CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC1)C2 ZINC000375889620 217330972 /nfs/dbraw/zinc/33/09/72/217330972.db2.gz KQFPNDPSHZGSPG-DFNIBXOVSA-N 3 2 363.550 0.393 10 0 FCAELP C[N@@H+]1[C@@H]2CC[C@H]1CC(N1CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC1)C2 ZINC000375889620 217330977 /nfs/dbraw/zinc/33/09/77/217330977.db2.gz KQFPNDPSHZGSPG-DFNIBXOVSA-N 3 2 363.550 0.393 10 0 FCAELP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000419155499 246021741 /nfs/dbraw/zinc/02/17/41/246021741.db2.gz UARYXPQKPHEDCE-WMLDXEAASA-N 2 2 372.469 0.521 10 0 FCAELP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000419155499 246021744 /nfs/dbraw/zinc/02/17/44/246021744.db2.gz UARYXPQKPHEDCE-WMLDXEAASA-N 2 2 372.469 0.521 10 0 FCAELP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000419327874 246100131 /nfs/dbraw/zinc/10/01/31/246100131.db2.gz NYLWTPQXSYVHPF-OALUTQOASA-N 2 2 374.529 0.718 10 0 FCAELP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000419327874 246100137 /nfs/dbraw/zinc/10/01/37/246100137.db2.gz NYLWTPQXSYVHPF-OALUTQOASA-N 2 2 374.529 0.718 10 0 FCAELP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419636832 246226749 /nfs/dbraw/zinc/22/67/49/246226749.db2.gz HPUHDNZAHOKWRQ-MSOLQXFVSA-N 2 2 367.453 0.901 10 0 FCAELP C[C@@H]1CCN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[C@H]1C[NH3+] ZINC000419643318 246228103 /nfs/dbraw/zinc/22/81/03/246228103.db2.gz JAJIJVANOPRLLT-HUUCEWRRSA-N 2 2 359.474 0.610 10 0 FCAELP [NH3+][C@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000419925432 246371419 /nfs/dbraw/zinc/37/14/19/246371419.db2.gz IQJKBRVCWPTKOV-ZWKOTPCHSA-N 2 2 374.485 0.516 10 0 FCAELP C[NH2+]CCNC(=O)C(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000419877510 246342852 /nfs/dbraw/zinc/34/28/52/246342852.db2.gz QYVMDRRACWMWHZ-CYBMUJFWSA-N 2 2 352.866 0.881 10 0 FCAELP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000419954495 246384779 /nfs/dbraw/zinc/38/47/79/246384779.db2.gz RCSOIJVHDNBEPK-KRWDZBQOSA-N 2 2 374.485 0.598 10 0 FCAELP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000423379152 247015029 /nfs/dbraw/zinc/01/50/29/247015029.db2.gz GISPZEDQNFWLJX-OXQOHEQNSA-N 2 2 373.501 0.803 10 0 FCAELP CN(C)c1nc(N2CC[NH+](C[C@@H](O)COC3CCOCC3)CC2)cc[nH+]1 ZINC000440665951 248202601 /nfs/dbraw/zinc/20/26/01/248202601.db2.gz HUTSTXWQPLXUJT-OAHLLOKOSA-N 2 2 365.478 0.221 10 0 FCAELP C[NH+]1CCN(c2cc(C(=O)NCC3([NH+]4CCOCC4)CC3)ccn2)CC1 ZINC000470157520 250030380 /nfs/dbraw/zinc/03/03/80/250030380.db2.gz MSKKEOJBBZTGIN-UHFFFAOYSA-N 2 2 359.474 0.428 10 0 FCAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000474017424 250263728 /nfs/dbraw/zinc/26/37/28/250263728.db2.gz BXYYDULRZPTHPS-UHFFFAOYSA-N 2 2 364.494 0.845 10 0 FCAELP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003774 208128888 /nfs/dbraw/zinc/12/88/88/208128888.db2.gz PEWZOIYKDKGWEH-LSDHHAIUSA-N 2 2 361.490 0.800 10 0 FCAELP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003774 208128894 /nfs/dbraw/zinc/12/88/94/208128894.db2.gz PEWZOIYKDKGWEH-LSDHHAIUSA-N 2 2 361.490 0.800 10 0 FCAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C1 ZINC000106215318 208221580 /nfs/dbraw/zinc/22/15/80/208221580.db2.gz 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/nfs/dbraw/zinc/50/16/75/488501675.db2.gz RWJMYPIGBIIGPF-HGKCTWBKSA-N 2 2 358.490 0.793 10 0 FCAELP Cn1cc([C@H]2CC[NH+](C[C@H](O)C[N@H+]3CC[C@@H](c4cnn(C)c4)C3)C2)cn1 ZINC000248745711 488501678 /nfs/dbraw/zinc/50/16/78/488501678.db2.gz RWJMYPIGBIIGPF-HGKCTWBKSA-N 2 2 358.490 0.793 10 0 FCAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000249586666 488512587 /nfs/dbraw/zinc/51/25/87/488512587.db2.gz UBLXJPXVNIVJNI-DLBZAZTESA-N 2 2 361.490 0.117 10 0 FCAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000249586666 488512588 /nfs/dbraw/zinc/51/25/88/488512588.db2.gz UBLXJPXVNIVJNI-DLBZAZTESA-N 2 2 361.490 0.117 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)N3CCC([N@H+](C)CCCO)CC3)ccc2[nH+]1 ZINC000271599464 488529929 /nfs/dbraw/zinc/52/99/29/488529929.db2.gz FJLCFZRNJUERPB-UHFFFAOYSA-N 2 2 373.457 0.886 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)N3CCC([N@@H+](C)CCCO)CC3)ccc2[nH+]1 ZINC000271599464 488529932 /nfs/dbraw/zinc/52/99/32/488529932.db2.gz FJLCFZRNJUERPB-UHFFFAOYSA-N 2 2 373.457 0.886 10 0 FCAELP NC(=O)C1CCN(c2[nH+]cccc2CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261754734 488534814 /nfs/dbraw/zinc/53/48/14/488534814.db2.gz NALBTVNZALHFAU-GDBMZVCRSA-N 2 2 359.474 0.775 10 0 FCAELP COc1ccc(OC)c(C[NH+]2CCN(C(=O)C3([NH3+])CCOCC3)CC2)c1 ZINC000261909232 488540934 /nfs/dbraw/zinc/54/09/34/488540934.db2.gz SRPYWBQHMLPQLQ-UHFFFAOYSA-N 2 2 363.458 0.856 10 0 FCAELP C[NH2+]CCC1CC[NH+](CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000261996122 488545128 /nfs/dbraw/zinc/54/51/28/488545128.db2.gz OAQCSJDOSFOJCY-QGZVFWFLSA-N 2 2 373.563 0.980 10 0 FCAELP COCC[N@@H+]1CCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC000117475859 488551390 /nfs/dbraw/zinc/55/13/90/488551390.db2.gz VFGFKNOINOWOQS-MRXNPFEDSA-N 2 2 355.527 0.375 10 0 FCAELP COCC[N@H+]1CCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC000117475859 488551391 /nfs/dbraw/zinc/55/13/91/488551391.db2.gz VFGFKNOINOWOQS-MRXNPFEDSA-N 2 2 355.527 0.375 10 0 FCAELP 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ZINC000120603713 488562229 /nfs/dbraw/zinc/56/22/29/488562229.db2.gz ADCNGGFNNLUBLJ-HNNXBMFYSA-N 2 2 368.526 0.458 10 0 FCAELP O[C@@H](C[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)CN1CCOCC1 ZINC000562989532 491206074 /nfs/dbraw/zinc/20/60/74/491206074.db2.gz MEFSTPGXUBNTKU-SFHVURJKSA-N 2 2 355.523 0.552 10 0 FCAELP CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000272321866 488573087 /nfs/dbraw/zinc/57/30/87/488573087.db2.gz LWLSMOVOMYCWGJ-UHFFFAOYSA-N 2 2 356.430 0.550 10 0 FCAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCc2ccc(OCC(N)=O)cc2)CC[N@@H+]1C ZINC000123765722 488587294 /nfs/dbraw/zinc/58/72/94/488587294.db2.gz PJDSAQYJWUTABJ-GDBMZVCRSA-N 2 2 362.474 0.581 10 0 FCAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCc2ccc(OCC(N)=O)cc2)CC[N@H+]1C ZINC000123765722 488587295 /nfs/dbraw/zinc/58/72/95/488587295.db2.gz PJDSAQYJWUTABJ-GDBMZVCRSA-N 2 2 362.474 0.581 10 0 FCAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)NCc2ccc(OCC(N)=O)cc2)CC[NH+]1C ZINC000123765722 488587298 /nfs/dbraw/zinc/58/72/98/488587298.db2.gz 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10 0 FCAELP Cc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1S(N)(=O)=O ZINC000157182626 488769961 /nfs/dbraw/zinc/76/99/61/488769961.db2.gz SJQDSDURGORSJN-UKRRQHHQSA-N 2 2 368.503 0.995 10 0 FCAELP Cc1ccc(NC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1S(N)(=O)=O ZINC000157182626 488769964 /nfs/dbraw/zinc/76/99/64/488769964.db2.gz SJQDSDURGORSJN-UKRRQHHQSA-N 2 2 368.503 0.995 10 0 FCAELP CCC[C@H](C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+](C)C ZINC000161861342 488799596 /nfs/dbraw/zinc/79/95/96/488799596.db2.gz DDRHKNIGMOBELS-MRXNPFEDSA-N 2 2 361.490 0.967 10 0 FCAELP C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)[C@H](C[NH3+])C1 ZINC000162558747 488803062 /nfs/dbraw/zinc/80/30/62/488803062.db2.gz VBJKCUWVGOXBQD-IAQYHMDHSA-N 2 2 352.385 0.419 10 0 FCAELP C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)[C@H](C[NH3+])C1 ZINC000162558747 488803064 /nfs/dbraw/zinc/80/30/64/488803064.db2.gz VBJKCUWVGOXBQD-IAQYHMDHSA-N 2 2 352.385 0.419 10 0 FCAELP Cc1ccc(OC[C@@H](O)C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000162547413 488803329 /nfs/dbraw/zinc/80/33/29/488803329.db2.gz MSZNVFIUHFECCX-PKOBYXMFSA-N 2 2 361.486 0.973 10 0 FCAELP Cc1ccc(OC[C@@H](O)C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000162547413 488803331 /nfs/dbraw/zinc/80/33/31/488803331.db2.gz MSZNVFIUHFECCX-PKOBYXMFSA-N 2 2 361.486 0.973 10 0 FCAELP C[N@@H+]1CCN(C(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)[C@H](C[NH3+])C1 ZINC000162681206 488804380 /nfs/dbraw/zinc/80/43/80/488804380.db2.gz BAYGBPYLZSVNNY-CHWSQXEVSA-N 2 2 352.385 0.419 10 0 FCAELP C[N@H+]1CCN(C(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)[C@H](C[NH3+])C1 ZINC000162681206 488804381 /nfs/dbraw/zinc/80/43/81/488804381.db2.gz BAYGBPYLZSVNNY-CHWSQXEVSA-N 2 2 352.385 0.419 10 0 FCAELP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccccc1OCC[NH+](C)C ZINC000267656772 488809782 /nfs/dbraw/zinc/80/97/82/488809782.db2.gz JKEOLGYRKPXEKQ-INIZCTEOSA-N 2 2 365.474 0.392 10 0 FCAELP 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488846642 /nfs/dbraw/zinc/84/66/42/488846642.db2.gz LGYBPFWUNSOCSJ-QGZVFWFLSA-N 2 2 356.511 0.851 10 0 FCAELP COCC[N@@H+](C)CCCNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000173987124 488846643 /nfs/dbraw/zinc/84/66/43/488846643.db2.gz LGYBPFWUNSOCSJ-QGZVFWFLSA-N 2 2 356.511 0.851 10 0 FCAELP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174881265 488851809 /nfs/dbraw/zinc/85/18/09/488851809.db2.gz DXLJRGDHLQWNQN-SJORKVTESA-N 2 2 367.538 0.959 10 0 FCAELP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174881265 488851810 /nfs/dbraw/zinc/85/18/10/488851810.db2.gz DXLJRGDHLQWNQN-SJORKVTESA-N 2 2 367.538 0.959 10 0 FCAELP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174900593 488851970 /nfs/dbraw/zinc/85/19/70/488851970.db2.gz XDLPKXBRBGWRNK-SQNIBIBYSA-N 2 2 352.523 0.772 10 0 FCAELP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174900593 488851971 /nfs/dbraw/zinc/85/19/71/488851971.db2.gz XDLPKXBRBGWRNK-SQNIBIBYSA-N 2 2 352.523 0.772 10 0 FCAELP COCCCS(=O)(=O)NCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000175252368 488853566 /nfs/dbraw/zinc/85/35/66/488853566.db2.gz WHKIFTMMORFBJN-HNNXBMFYSA-N 2 2 356.492 0.771 10 0 FCAELP COCCCS(=O)(=O)NCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000175252368 488853567 /nfs/dbraw/zinc/85/35/67/488853567.db2.gz WHKIFTMMORFBJN-HNNXBMFYSA-N 2 2 356.492 0.771 10 0 FCAELP C[C@@H]1CN(C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000175657881 488854784 /nfs/dbraw/zinc/85/47/84/488854784.db2.gz BZRARRUUIBBBDA-AEFFLSMTSA-N 2 2 367.538 0.375 10 0 FCAELP C[C@@H]1CN(C(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000175657881 488854785 /nfs/dbraw/zinc/85/47/85/488854785.db2.gz BZRARRUUIBBBDA-AEFFLSMTSA-N 2 2 367.538 0.375 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N[C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)CC2)cc[nH+]1 ZINC000288880044 489024638 /nfs/dbraw/zinc/02/46/38/489024638.db2.gz HRONKZUXXASKTP-DZGCQCFKSA-N 2 2 372.473 0.175 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N[C@@H]3C[C@H](C)[N@H+](C4CC4)C3)CC2)cc[nH+]1 ZINC000288880044 489024641 /nfs/dbraw/zinc/02/46/41/489024641.db2.gz HRONKZUXXASKTP-DZGCQCFKSA-N 2 2 372.473 0.175 10 0 FCAELP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000289455880 489068430 /nfs/dbraw/zinc/06/84/30/489068430.db2.gz XSRGRKUWEKOAGZ-TZMCWYRMSA-N 2 2 361.446 0.977 10 0 FCAELP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000289455880 489068433 /nfs/dbraw/zinc/06/84/33/489068433.db2.gz XSRGRKUWEKOAGZ-TZMCWYRMSA-N 2 2 361.446 0.977 10 0 FCAELP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC[N@@H+]1C ZINC000290325738 489131750 /nfs/dbraw/zinc/13/17/50/489131750.db2.gz DRZLKHMYHJSZFA-OWCLPIDISA-N 2 2 359.474 0.718 10 0 FCAELP C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000297655426 489219758 /nfs/dbraw/zinc/21/97/58/489219758.db2.gz FMJDKCQPXQPHOP-OAHLLOKOSA-N 2 2 359.474 0.699 10 0 FCAELP C[NH+]1CCN(C(=O)CC[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)CC1 ZINC000283237077 489231059 /nfs/dbraw/zinc/23/10/59/489231059.db2.gz UOFXHZAYWAKPSE-JKSUJKDBSA-N 2 2 351.447 0.568 10 0 FCAELP C[NH+]1CCN(C(=O)CC[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)CC1 ZINC000283237077 489231062 /nfs/dbraw/zinc/23/10/62/489231062.db2.gz UOFXHZAYWAKPSE-JKSUJKDBSA-N 2 2 351.447 0.568 10 0 FCAELP COC(=O)[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000369522163 489248810 /nfs/dbraw/zinc/24/88/10/489248810.db2.gz OFSAIDDODCXEOX-GJZGRUSLSA-N 2 2 352.479 0.750 10 0 FCAELP COC(=O)[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000369522163 489248812 /nfs/dbraw/zinc/24/88/12/489248812.db2.gz OFSAIDDODCXEOX-GJZGRUSLSA-N 2 2 352.479 0.750 10 0 FCAELP Cn1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(=O)[nH]c1=O ZINC000369646445 489259161 /nfs/dbraw/zinc/25/91/61/489259161.db2.gz ISDFCJQRSSTZNF-UHFFFAOYSA-N 2 2 363.462 0.166 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@@](O)(C(F)(F)F)C3)C2)CC1 ZINC000370025832 489305320 /nfs/dbraw/zinc/30/53/20/489305320.db2.gz HCIGICFEUFYBKM-DOMZBBRYSA-N 2 2 364.412 0.864 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@@](O)(C(F)(F)F)C3)C2)CC1 ZINC000370025832 489305324 /nfs/dbraw/zinc/30/53/24/489305324.db2.gz HCIGICFEUFYBKM-DOMZBBRYSA-N 2 2 364.412 0.864 10 0 FCAELP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCc2[nH+]ccn2CC)CC1 ZINC000298422691 489324991 /nfs/dbraw/zinc/32/49/91/489324991.db2.gz LLSQIDFYSODLQF-UHFFFAOYSA-N 2 2 364.494 0.989 10 0 FCAELP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCc2[nH+]ccn2CC)CC1 ZINC000298422691 489324993 /nfs/dbraw/zinc/32/49/93/489324993.db2.gz LLSQIDFYSODLQF-UHFFFAOYSA-N 2 2 364.494 0.989 10 0 FCAELP C[N@@H+]1CCC[C@H](N2CC[NH+](CC(=O)N3CCO[C@@H]4CCCC[C@H]43)CC2)C1 ZINC000363217830 489439815 /nfs/dbraw/zinc/43/98/15/489439815.db2.gz CDIMVVSBUQJXLF-IPMKNSEASA-N 2 2 364.534 0.868 10 0 FCAELP C[N@H+]1CCC[C@H](N2CC[NH+](CC(=O)N3CCO[C@@H]4CCCC[C@H]43)CC2)C1 ZINC000363217830 489439818 /nfs/dbraw/zinc/43/98/18/489439818.db2.gz CDIMVVSBUQJXLF-IPMKNSEASA-N 2 2 364.534 0.868 10 0 FCAELP C[NH+]1CCC(CNC(=O)C(=O)NCc2ccco2)([NH+]2CCCCC2)CC1 ZINC000555562028 491255304 /nfs/dbraw/zinc/25/53/04/491255304.db2.gz JSUWYGYLVZNILA-UHFFFAOYSA-N 2 2 362.474 0.962 10 0 FCAELP C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)[C@@H](C)C1 ZINC000287293611 489475669 /nfs/dbraw/zinc/47/56/69/489475669.db2.gz ZQTBQMFVDHEZOF-GJZGRUSLSA-N 2 2 358.446 0.864 10 0 FCAELP C[C@H](O)C[N@H+]1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)[C@@H](C)C1 ZINC000287293611 489475670 /nfs/dbraw/zinc/47/56/70/489475670.db2.gz ZQTBQMFVDHEZOF-GJZGRUSLSA-N 2 2 358.446 0.864 10 0 FCAELP COC(=O)[C@@H]1CSCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000414563405 489501311 /nfs/dbraw/zinc/50/13/11/489501311.db2.gz CNRBKGQAKFIKKV-HNNXBMFYSA-N 2 2 365.503 0.566 10 0 FCAELP COC(=O)[C@@H]1CSCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000414563405 489501314 /nfs/dbraw/zinc/50/13/14/489501314.db2.gz CNRBKGQAKFIKKV-HNNXBMFYSA-N 2 2 365.503 0.566 10 0 FCAELP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1C ZINC000423215635 489504011 /nfs/dbraw/zinc/50/40/11/489504011.db2.gz QYGJJKLFVVCPFR-CABCVRRESA-N 2 2 360.458 0.876 10 0 FCAELP COCC[N@H+](Cc1ccnn1C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000426500275 489571598 /nfs/dbraw/zinc/57/15/98/489571598.db2.gz MULXFJOQANDYKI-UHFFFAOYSA-N 2 2 359.478 0.611 10 0 FCAELP COCC[N@@H+](Cc1ccnn1C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000426500275 489571600 /nfs/dbraw/zinc/57/16/00/489571600.db2.gz MULXFJOQANDYKI-UHFFFAOYSA-N 2 2 359.478 0.611 10 0 FCAELP C[C@@H]1CN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)[C@@H](C)C[N@@H+]1CCO ZINC000416290508 489577047 /nfs/dbraw/zinc/57/70/47/489577047.db2.gz GSKUFTUOQGMMFW-MSOLQXFVSA-N 2 2 374.529 0.961 10 0 FCAELP C[C@@H]1CN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)[C@@H](C)C[N@H+]1CCO ZINC000416290508 489577050 /nfs/dbraw/zinc/57/70/50/489577050.db2.gz GSKUFTUOQGMMFW-MSOLQXFVSA-N 2 2 374.529 0.961 10 0 FCAELP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000416292805 489578332 /nfs/dbraw/zinc/57/83/32/489578332.db2.gz JFDUHEHGFSVBQI-JKSUJKDBSA-N 2 2 361.490 0.361 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000416292805 489578337 /nfs/dbraw/zinc/57/83/37/489578337.db2.gz JFDUHEHGFSVBQI-JKSUJKDBSA-N 2 2 361.490 0.361 10 0 FCAELP C[C@@H]1CN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)[C@@H](C)C[N@@H+]1CCO ZINC000416300635 489581136 /nfs/dbraw/zinc/58/11/36/489581136.db2.gz UGOPQNVQHYGRSW-ZIFCJYIRSA-N 2 2 361.486 0.801 10 0 FCAELP C[C@@H]1CN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)[C@@H](C)C[N@H+]1CCO ZINC000416300635 489581140 /nfs/dbraw/zinc/58/11/40/489581140.db2.gz UGOPQNVQHYGRSW-ZIFCJYIRSA-N 2 2 361.486 0.801 10 0 FCAELP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)[C@@H](C)C[NH+]1CCO ZINC000416300635 489581142 /nfs/dbraw/zinc/58/11/42/489581142.db2.gz UGOPQNVQHYGRSW-ZIFCJYIRSA-N 2 2 361.486 0.801 10 0 FCAELP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@@H](C)C[NH+]1CCO ZINC000416300635 489581145 /nfs/dbraw/zinc/58/11/45/489581145.db2.gz UGOPQNVQHYGRSW-ZIFCJYIRSA-N 2 2 361.486 0.801 10 0 FCAELP CCn1cc[nH+]c1CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000454983053 489584111 /nfs/dbraw/zinc/58/41/11/489584111.db2.gz BEUNOFSGQOQEBE-UHFFFAOYSA-N 2 2 350.467 0.694 10 0 FCAELP CC[C@@H](COC)[NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000372817612 489639488 /nfs/dbraw/zinc/63/94/88/489639488.db2.gz IHWCFPDDJRRPPL-HOTGVXAUSA-N 2 2 363.506 0.848 10 0 FCAELP [NH3+]CCN(CCO)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000417587485 489659796 /nfs/dbraw/zinc/65/97/96/489659796.db2.gz SKGCWGRQFHOXQB-CYBMUJFWSA-N 2 2 356.417 0.892 10 0 FCAELP [NH3+]CCN(CCO)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000417587485 489659798 /nfs/dbraw/zinc/65/97/98/489659798.db2.gz SKGCWGRQFHOXQB-CYBMUJFWSA-N 2 2 356.417 0.892 10 0 FCAELP [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCC[NH+]3CCN(C(=O)C4CCC4)CC3)C[C@@H]12 ZINC000417710954 489662158 /nfs/dbraw/zinc/66/21/58/489662158.db2.gz PQIHCHHIUIMXFZ-GVDBMIGSSA-N 2 2 363.506 0.309 10 0 FCAELP C[NH2+]C[C@@H]1CCCN1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000417716929 489662751 /nfs/dbraw/zinc/66/27/51/489662751.db2.gz USUUIZVMSSHCRF-INIZCTEOSA-N 2 2 351.495 0.324 10 0 FCAELP CC(C)C[C@@H](C[NH3+])NC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000417987426 489674336 /nfs/dbraw/zinc/67/43/36/489674336.db2.gz HTGPIOAOVPJQLL-UONOGXRCSA-N 2 2 350.467 0.584 10 0 FCAELP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000418813234 489734680 /nfs/dbraw/zinc/73/46/80/489734680.db2.gz YJGNRUVMPYIBRR-CHWSQXEVSA-N 2 2 366.412 0.524 10 0 FCAELP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000418813234 489734683 /nfs/dbraw/zinc/73/46/83/489734683.db2.gz YJGNRUVMPYIBRR-CHWSQXEVSA-N 2 2 366.412 0.524 10 0 FCAELP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000570948698 491275698 /nfs/dbraw/zinc/27/56/98/491275698.db2.gz TZQQRWBSYXXKKM-MRXNPFEDSA-N 2 2 354.495 0.014 10 0 FCAELP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000570948698 491275700 /nfs/dbraw/zinc/27/57/00/491275700.db2.gz TZQQRWBSYXXKKM-MRXNPFEDSA-N 2 2 354.495 0.014 10 0 FCAELP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1)c1ccco1 ZINC000418833292 489745732 /nfs/dbraw/zinc/74/57/32/489745732.db2.gz NAYZLUSESAZZOT-HOTGVXAUSA-N 2 2 371.441 0.567 10 0 FCAELP CC(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000418869398 489767082 /nfs/dbraw/zinc/76/70/82/489767082.db2.gz QXWRFBUQSOOLQV-HUUCEWRRSA-N 2 2 354.401 0.680 10 0 FCAELP CC(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000418869398 489767085 /nfs/dbraw/zinc/76/70/85/489767085.db2.gz QXWRFBUQSOOLQV-HUUCEWRRSA-N 2 2 354.401 0.680 10 0 FCAELP O=C(C[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000490654162 489779616 /nfs/dbraw/zinc/77/96/16/489779616.db2.gz SZEYPYMAKDDFLS-WMZOPIPTSA-N 2 2 374.485 0.914 10 0 FCAELP O=C(C[N@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000490654162 489779618 /nfs/dbraw/zinc/77/96/18/489779618.db2.gz SZEYPYMAKDDFLS-WMZOPIPTSA-N 2 2 374.485 0.914 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000418899113 489781045 /nfs/dbraw/zinc/78/10/45/489781045.db2.gz BMAURERCPISJOI-GJZGRUSLSA-N 2 2 350.850 0.633 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000418899113 489781049 /nfs/dbraw/zinc/78/10/49/489781049.db2.gz BMAURERCPISJOI-GJZGRUSLSA-N 2 2 350.850 0.633 10 0 FCAELP CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418903194 489782997 /nfs/dbraw/zinc/78/29/97/489782997.db2.gz HPPXZZRFAJOLOD-HZPDHXFCSA-N 2 2 368.428 0.942 10 0 FCAELP CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418903194 489783001 /nfs/dbraw/zinc/78/30/01/489783001.db2.gz HPPXZZRFAJOLOD-HZPDHXFCSA-N 2 2 368.428 0.942 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418902058 489783011 /nfs/dbraw/zinc/78/30/11/489783011.db2.gz GPERNYGVPOVCHP-CQDKDKBSSA-N 2 2 368.840 0.900 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418902058 489783016 /nfs/dbraw/zinc/78/30/16/489783016.db2.gz GPERNYGVPOVCHP-CQDKDKBSSA-N 2 2 368.840 0.900 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2C[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418904057 489783304 /nfs/dbraw/zinc/78/33/04/489783304.db2.gz INCVRKGEAYMSAW-CABCVRRESA-N 2 2 368.840 0.676 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2C[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418904057 489783309 /nfs/dbraw/zinc/78/33/09/489783309.db2.gz INCVRKGEAYMSAW-CABCVRRESA-N 2 2 368.840 0.676 10 0 FCAELP C[NH2+]CCCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000418908170 489785235 /nfs/dbraw/zinc/78/52/35/489785235.db2.gz MJVGLUBWLFEFCH-LSDHHAIUSA-N 2 2 352.866 0.927 10 0 FCAELP C[NH2+]CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000418908170 489785238 /nfs/dbraw/zinc/78/52/38/489785238.db2.gz MJVGLUBWLFEFCH-LSDHHAIUSA-N 2 2 352.866 0.927 10 0 FCAELP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCN(c3c[nH+]ccc3C)CC2)C1 ZINC000459926946 489795927 /nfs/dbraw/zinc/79/59/27/489795927.db2.gz VXGXFSVRWIOTAH-KRWDZBQOSA-N 2 2 373.501 0.981 10 0 FCAELP C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418940909 489797565 /nfs/dbraw/zinc/79/75/65/489797565.db2.gz JUYBUBTVERASCF-GXTWGEPZSA-N 2 2 350.488 0.337 10 0 FCAELP C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418940909 489797569 /nfs/dbraw/zinc/79/75/69/489797569.db2.gz JUYBUBTVERASCF-GXTWGEPZSA-N 2 2 350.488 0.337 10 0 FCAELP O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418950088 489801805 /nfs/dbraw/zinc/80/18/05/489801805.db2.gz VOTXZCSQHDZXAH-AWEZNQCLSA-N 2 2 350.488 0.481 10 0 FCAELP O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418950088 489801807 /nfs/dbraw/zinc/80/18/07/489801807.db2.gz VOTXZCSQHDZXAH-AWEZNQCLSA-N 2 2 350.488 0.481 10 0 FCAELP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)C[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000475019388 489802178 /nfs/dbraw/zinc/80/21/78/489802178.db2.gz UEZYIMXTYXPSCV-NVXWUHKLSA-N 2 2 367.515 0.772 10 0 FCAELP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)C[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000475019388 489802182 /nfs/dbraw/zinc/80/21/82/489802182.db2.gz UEZYIMXTYXPSCV-NVXWUHKLSA-N 2 2 367.515 0.772 10 0 FCAELP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O)c1ccccc1 ZINC000475138235 489806966 /nfs/dbraw/zinc/80/69/66/489806966.db2.gz UTQLYZIMQLNESX-HZPDHXFCSA-N 2 2 368.503 0.158 10 0 FCAELP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H]1CS(N)(=O)=O)c1ccccc1 ZINC000475138235 489806970 /nfs/dbraw/zinc/80/69/70/489806970.db2.gz UTQLYZIMQLNESX-HZPDHXFCSA-N 2 2 368.503 0.158 10 0 FCAELP CC(C)[C@H]1C[C@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000475422322 489826599 /nfs/dbraw/zinc/82/65/99/489826599.db2.gz QFIUOQCTYKLGPG-QZTJIDSGSA-N 2 2 364.534 0.975 10 0 FCAELP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000419113415 489860656 /nfs/dbraw/zinc/86/06/56/489860656.db2.gz GQOFFHXSQGGTJS-DLBZAZTESA-N 2 2 362.474 0.276 10 0 FCAELP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419125413 489868680 /nfs/dbraw/zinc/86/86/80/489868680.db2.gz ZZCWLQMHRORXJU-IYBDPMFKSA-N 2 2 357.458 0.651 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])CC2)cc[nH+]1 ZINC000420008516 489880164 /nfs/dbraw/zinc/88/01/64/489880164.db2.gz BSKKIEOBHXFVHO-HUUCEWRRSA-N 2 2 360.462 0.067 10 0 FCAELP [NH3+]C[C@H](NC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)C1CCCC1 ZINC000420078339 489904639 /nfs/dbraw/zinc/90/46/39/489904639.db2.gz ZDTPCPVIYSPXHG-IRXDYDNUSA-N 2 2 366.506 0.333 10 0 FCAELP C[C@]1(CNC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CCC[NH2+]C1 ZINC000420104894 489913447 /nfs/dbraw/zinc/91/34/47/489913447.db2.gz PREFEVMWRSZYDH-APWZRJJASA-N 2 2 366.506 0.206 10 0 FCAELP COC(=O)CC[C@@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000377566494 489921916 /nfs/dbraw/zinc/92/19/16/489921916.db2.gz UTMXXVADCZVUKK-OAHLLOKOSA-N 3 2 354.495 0.333 10 0 FCAELP C[C@@H]1C[N@@H+](CCN(C)CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000434701270 489948942 /nfs/dbraw/zinc/94/89/42/489948942.db2.gz DSSGMJSNIBGCIB-IYBDPMFKSA-N 2 2 352.523 0.770 10 0 FCAELP C[C@@H]1C[N@H+](CCN(C)CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000434701270 489948943 /nfs/dbraw/zinc/94/89/43/489948943.db2.gz DSSGMJSNIBGCIB-IYBDPMFKSA-N 2 2 352.523 0.770 10 0 FCAELP C[NH+]1CCC(CNC(=O)NCC2(CC(N)=O)CC2)([NH+]2CCCCC2)CC1 ZINC000420879305 490028583 /nfs/dbraw/zinc/02/85/83/490028583.db2.gz PYDGTKMSZUHZSN-UHFFFAOYSA-N 2 2 365.522 0.892 10 0 FCAELP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000571247022 491295479 /nfs/dbraw/zinc/29/54/79/491295479.db2.gz KEAVLPSPBQRORI-OAGGEKHMSA-N 2 2 356.511 0.401 10 0 FCAELP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000571247022 491295482 /nfs/dbraw/zinc/29/54/82/491295482.db2.gz KEAVLPSPBQRORI-OAGGEKHMSA-N 2 2 356.511 0.401 10 0 FCAELP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C[C@@H]1C ZINC000556168148 491299478 /nfs/dbraw/zinc/29/94/78/491299478.db2.gz GXTFSMLAAOYICR-HOTGVXAUSA-N 2 2 354.495 0.156 10 0 FCAELP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C[C@@H]1C ZINC000556168148 491299480 /nfs/dbraw/zinc/29/94/80/491299480.db2.gz GXTFSMLAAOYICR-HOTGVXAUSA-N 2 2 354.495 0.156 10 0 FCAELP CC(C)(C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[NH2+]CC1 ZINC000389020501 490133277 /nfs/dbraw/zinc/13/32/77/490133277.db2.gz ASEFSYYPVBHKPY-SFHVURJKSA-N 2 2 360.502 0.687 10 0 FCAELP CC(C)(C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[NH2+]CC1 ZINC000389020501 490133287 /nfs/dbraw/zinc/13/32/87/490133287.db2.gz ASEFSYYPVBHKPY-SFHVURJKSA-N 2 2 360.502 0.687 10 0 FCAELP Cc1ccc([C@H](CNC(=O)C(=O)NCCc2cn(C)c[nH+]2)[NH+](C)C)cc1 ZINC000422115982 490167152 /nfs/dbraw/zinc/16/71/52/490167152.db2.gz MSPLYCXIBWITIS-KRWDZBQOSA-N 2 2 357.458 0.806 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCN3CCOC[C@H]3C2)CC1 ZINC000520892341 490203636 /nfs/dbraw/zinc/20/36/36/490203636.db2.gz ALLIVNSPHQPJPV-AZUAARDMSA-N 2 2 372.513 0.908 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCN3CCOC[C@H]3C2)CC1 ZINC000520892341 490203642 /nfs/dbraw/zinc/20/36/42/490203642.db2.gz ALLIVNSPHQPJPV-AZUAARDMSA-N 2 2 372.513 0.908 10 0 FCAELP Cn1ccnc1[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000571516855 491312338 /nfs/dbraw/zinc/31/23/38/491312338.db2.gz SDKNLUPSZCNGTB-ROUUACIJSA-N 2 2 361.465 0.847 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N2CC[NH+]3CCC2CC3)C1=O ZINC000556440828 491314982 /nfs/dbraw/zinc/31/49/82/491314982.db2.gz FSRSZFCYDWKECK-HNNXBMFYSA-N 2 2 360.462 0.401 10 0 FCAELP C[NH+]1CCC(CNC(=O)C(=O)Nc2cncnc2)([NH+]2CCCCC2)CC1 ZINC000467592447 490314493 /nfs/dbraw/zinc/31/44/93/490314493.db2.gz DUNMXHFUNZWJGH-UHFFFAOYSA-N 2 2 360.462 0.482 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000422475164 490344803 /nfs/dbraw/zinc/34/48/03/490344803.db2.gz IEPABYFMDZHGPV-UHFFFAOYSA-N 2 2 369.469 0.813 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC000422475164 490344812 /nfs/dbraw/zinc/34/48/12/490344812.db2.gz IEPABYFMDZHGPV-UHFFFAOYSA-N 2 2 369.469 0.813 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)NCC[C@H]3CCC[N@@H+](C)C3)CC2)cc[nH+]1 ZINC000422484082 490350683 /nfs/dbraw/zinc/35/06/83/490350683.db2.gz BVSGUHZZQXZFOW-MRXNPFEDSA-N 2 2 374.489 0.282 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)NCC[C@H]3CCC[N@H+](C)C3)CC2)cc[nH+]1 ZINC000422484082 490350693 /nfs/dbraw/zinc/35/06/93/490350693.db2.gz BVSGUHZZQXZFOW-MRXNPFEDSA-N 2 2 374.489 0.282 10 0 FCAELP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422911923 490495819 /nfs/dbraw/zinc/49/58/19/490495819.db2.gz UWDRHHQTENLQBT-RBUKOAKNSA-N 3 2 360.502 0.835 10 0 FCAELP Cn1cc[nH+]c1N1CC[NH+](C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000535557528 490500992 /nfs/dbraw/zinc/50/09/92/490500992.db2.gz SLJGYYPZQIZROO-AWEZNQCLSA-N 2 2 360.414 0.711 10 0 FCAELP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C)CC1 ZINC000500393560 490510969 /nfs/dbraw/zinc/51/09/69/490510969.db2.gz MORHTAIBKRNASN-GDBMZVCRSA-N 2 2 358.527 0.470 10 0 FCAELP CN(CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)S(=O)(=O)c1cccs1 ZINC000422993507 490513579 /nfs/dbraw/zinc/51/35/79/490513579.db2.gz FUHRGNNTTSNRKD-DZGCQCFKSA-N 2 2 359.517 0.725 10 0 FCAELP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000524787504 490560150 /nfs/dbraw/zinc/56/01/50/490560150.db2.gz NZQDYTXMTQGMMC-IRXDYDNUSA-N 2 2 354.495 0.603 10 0 FCAELP C[C@H]1COCC[N@H+]1CCNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000524787504 490560154 /nfs/dbraw/zinc/56/01/54/490560154.db2.gz NZQDYTXMTQGMMC-IRXDYDNUSA-N 2 2 354.495 0.603 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](N3CCCC3=O)C2)C1 ZINC000536371985 490573748 /nfs/dbraw/zinc/57/37/48/490573748.db2.gz YQWKOSBHYYGMKZ-DLBZAZTESA-N 2 2 366.506 0.156 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](N3CCCC3=O)C2)C1 ZINC000536371985 490573752 /nfs/dbraw/zinc/57/37/52/490573752.db2.gz YQWKOSBHYYGMKZ-DLBZAZTESA-N 2 2 366.506 0.156 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H](N3CCCC3=O)C2)C1 ZINC000536371985 490573757 /nfs/dbraw/zinc/57/37/57/490573757.db2.gz YQWKOSBHYYGMKZ-DLBZAZTESA-N 2 2 366.506 0.156 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H](N3CCCC3=O)C2)C1 ZINC000536371985 490573763 /nfs/dbraw/zinc/57/37/63/490573763.db2.gz YQWKOSBHYYGMKZ-DLBZAZTESA-N 2 2 366.506 0.156 10 0 FCAELP C[NH+]1CCC([NH2+]C[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)CC1 ZINC000549517506 490586384 /nfs/dbraw/zinc/58/63/84/490586384.db2.gz MSRTYYMNOMHYDW-MRXNPFEDSA-N 3 2 374.533 0.517 10 0 FCAELP O=C(Cn1cc[nH+]c1)NC[C@H](Cc1ccccc1)NC(=O)Cn1cc[nH+]c1 ZINC000571937649 491338512 /nfs/dbraw/zinc/33/85/12/491338512.db2.gz DLVQNWDJVSQFMP-KRWDZBQOSA-N 2 2 366.425 0.624 10 0 FCAELP C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CC[N@@H+]1C2 ZINC000501538395 490613897 /nfs/dbraw/zinc/61/38/97/490613897.db2.gz DUAXMWIWEPWIJH-RYQLBKOJSA-N 2 2 373.501 0.835 10 0 FCAELP C[NH+](C)CCCN1C(=O)C[C@H]([NH+]2CCN(c3ccc(F)cn3)CC2)C1=O ZINC000536994810 490632379 /nfs/dbraw/zinc/63/23/79/490632379.db2.gz UZNVQFCFDPPOCY-HNNXBMFYSA-N 2 2 363.437 0.422 10 0 FCAELP COC[C@H](CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)OC ZINC000512130363 490661325 /nfs/dbraw/zinc/66/13/25/490661325.db2.gz ZUXIFYWGYZTBGX-WFVVYAPDSA-N 2 2 354.495 0.600 10 0 FCAELP COC[C@H](CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)OC ZINC000512130363 490661331 /nfs/dbraw/zinc/66/13/31/490661331.db2.gz ZUXIFYWGYZTBGX-WFVVYAPDSA-N 2 2 354.495 0.600 10 0 FCAELP C[NH+]1CCC(CNC(=O)C(=O)NCCC(C)(C)O)([NH+]2CCCCC2)CC1 ZINC000512225016 490666914 /nfs/dbraw/zinc/66/69/14/490666914.db2.gz KRCMWAZAJGDCAM-UHFFFAOYSA-N 2 2 368.522 0.330 10 0 FCAELP Cn1cc(C[C@H](O)C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cn1 ZINC000527046068 490694687 /nfs/dbraw/zinc/69/46/87/490694687.db2.gz HPKZPPJUZJVSPT-KRWDZBQOSA-N 2 2 363.506 0.390 10 0 FCAELP CN(CC[NH+]1CCOCC1)C(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000514880627 490795414 /nfs/dbraw/zinc/79/54/14/490795414.db2.gz MGXKMGQKFJLPNL-UHFFFAOYSA-N 2 2 354.495 0.014 10 0 FCAELP Cc1c[nH+]cn1CC(=O)N1C[C@H](C)N(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC000528882713 490830997 /nfs/dbraw/zinc/83/09/97/490830997.db2.gz PWVIDMFGBFHDRF-IYBDPMFKSA-N 2 2 358.446 0.844 10 0 FCAELP CCCNC(=O)C[NH+]1CCC(NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000540850058 490836691 /nfs/dbraw/zinc/83/66/91/490836691.db2.gz RKBDFIBFVNADBI-UHFFFAOYSA-N 2 2 361.490 0.869 10 0 FCAELP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)N(C(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC000529063478 490839214 /nfs/dbraw/zinc/83/92/14/490839214.db2.gz WDWZXBHWAIYZKH-IYBDPMFKSA-N 2 2 358.446 0.844 10 0 FCAELP C[C@H](NC(=O)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000572268210 491359470 /nfs/dbraw/zinc/35/94/70/491359470.db2.gz JSFJALGUGNSMDZ-YVSFHVDLSA-N 2 2 368.522 0.591 10 0 FCAELP C[C@H](NC(=O)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000572268210 491359471 /nfs/dbraw/zinc/35/94/71/491359471.db2.gz JSFJALGUGNSMDZ-YVSFHVDLSA-N 2 2 368.522 0.591 10 0 FCAELP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000542087095 490885127 /nfs/dbraw/zinc/88/51/27/490885127.db2.gz CRFGVFBRIKAUGP-ZACQAIPSSA-N 2 2 351.491 0.951 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C1=O ZINC000542130347 490886984 /nfs/dbraw/zinc/88/69/84/490886984.db2.gz SGSYDTYWDQSRMI-HZPDHXFCSA-N 2 2 372.473 0.567 10 0 FCAELP O=C(NCc1[nH+]ccn1CC(F)(F)F)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000516987468 490889743 /nfs/dbraw/zinc/88/97/43/490889743.db2.gz SARZVCCMMDJYSP-UHFFFAOYSA-N 2 2 373.379 0.616 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000517024295 490891317 /nfs/dbraw/zinc/89/13/17/490891317.db2.gz PCTHHVXBHXDOSA-CVEARBPZSA-N 2 2 357.458 0.392 10 0 FCAELP COc1ccc([C@H](C[NH3+])C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000530223854 490893497 /nfs/dbraw/zinc/89/34/97/490893497.db2.gz PXDRUSXAFAEGBG-QGZVFWFLSA-N 3 2 361.490 0.380 10 0 FCAELP CC(C)N(C(=O)C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1)C1CCCC1 ZINC000530223562 490893530 /nfs/dbraw/zinc/89/35/30/490893530.db2.gz OLQATZFNHJRRRI-UHFFFAOYSA-N 2 2 365.522 0.809 10 0 FCAELP C[C@@H](CNC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)[N@H+](C)C1CC1 ZINC000543042464 490919969 /nfs/dbraw/zinc/91/99/69/490919969.db2.gz XZOYTDMKWPQUMV-DZGCQCFKSA-N 2 2 362.478 0.693 10 0 FCAELP C[C@@H](CNC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)[N@@H+](C)C1CC1 ZINC000543042464 490919970 /nfs/dbraw/zinc/91/99/70/490919970.db2.gz XZOYTDMKWPQUMV-DZGCQCFKSA-N 2 2 362.478 0.693 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000544858675 490984393 /nfs/dbraw/zinc/98/43/93/490984393.db2.gz BUTUWWAWMLESQC-UHFFFAOYSA-N 2 2 366.506 0.300 10 0 FCAELP O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000572562278 491378846 /nfs/dbraw/zinc/37/88/46/491378846.db2.gz DLYVZVFOMNYXOV-MRXNPFEDSA-N 2 2 359.474 0.649 10 0 FCAELP CC[NH+](CC)CCS(=O)(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000565566737 491385810 /nfs/dbraw/zinc/38/58/10/491385810.db2.gz PADHLBDICZQHRL-DLBZAZTESA-N 2 2 360.568 0.616 10 0 FCAELP CC[NH+](CC)CCS(=O)(=O)N1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000565566737 491385813 /nfs/dbraw/zinc/38/58/13/491385813.db2.gz PADHLBDICZQHRL-DLBZAZTESA-N 2 2 360.568 0.616 10 0 FCAELP CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000566922948 491475694 /nfs/dbraw/zinc/47/56/94/491475694.db2.gz CTKSXWJOCSJYKH-QGZVFWFLSA-N 2 2 364.490 0.736 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])C1=O ZINC000574178677 491479144 /nfs/dbraw/zinc/47/91/44/491479144.db2.gz BMUXDVOXVSJGHN-KKUMJFAQSA-N 2 2 362.478 0.728 10 0 FCAELP O=C(NCCc1cn2ccccc2[nH+]1)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567149794 491488718 /nfs/dbraw/zinc/48/87/18/491488718.db2.gz RAOILHXWGGAQTN-LJQANCHMSA-N 2 2 355.442 0.595 10 0 FCAELP C[NH+]1CCN(C[C@@H](O)C[NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000574392863 491493031 /nfs/dbraw/zinc/49/30/31/491493031.db2.gz JLXNZCNNNPTDAF-FQEVSTJZSA-N 3 2 364.509 0.988 10 0 FCAELP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000559769648 491497965 /nfs/dbraw/zinc/49/79/65/491497965.db2.gz UMMZYEPBMURMSX-CQSZACIVSA-N 2 2 361.490 0.953 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000559770229 491498428 /nfs/dbraw/zinc/49/84/28/491498428.db2.gz RNWMBMZGGFCJKR-JKSUJKDBSA-N 2 2 359.474 0.707 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000559770229 491498430 /nfs/dbraw/zinc/49/84/30/491498430.db2.gz RNWMBMZGGFCJKR-JKSUJKDBSA-N 2 2 359.474 0.707 10 0 FCAELP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000567337668 491500223 /nfs/dbraw/zinc/50/02/23/491500223.db2.gz HIDTYWXCJZJBBY-OAGGEKHMSA-N 2 2 352.479 0.004 10 0 FCAELP CC(C)[NH2+]CCCNC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000574505333 491501388 /nfs/dbraw/zinc/50/13/88/491501388.db2.gz SKKNOMRPEVGVEE-INIZCTEOSA-N 2 2 354.495 0.204 10 0 FCAELP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000567437016 491506211 /nfs/dbraw/zinc/50/62/11/491506211.db2.gz FXKFOKCGBKHZNW-HZPDHXFCSA-N 2 2 371.441 0.767 10 0 FCAELP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000567572257 491514606 /nfs/dbraw/zinc/51/46/06/491514606.db2.gz KZDYNFOAWROMKL-WBVHZDCISA-N 2 2 354.520 0.730 10 0 FCAELP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000567684898 491523174 /nfs/dbraw/zinc/52/31/74/491523174.db2.gz QIIFPYULYYHWFI-LJQANCHMSA-N 3 2 368.566 0.467 10 0 FCAELP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000575015203 491533459 /nfs/dbraw/zinc/53/34/59/491533459.db2.gz UYALHPZNGJHZBA-IAGOWNOFSA-N 2 2 366.506 0.252 10 0 FCAELP Cc1nn(C)c(C)c1[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C(F)(F)F ZINC000575233589 491546713 /nfs/dbraw/zinc/54/67/13/491546713.db2.gz OWSSNOUAWCKHKG-DGCLKSJQSA-N 2 2 362.400 0.925 10 0 FCAELP Cn1cc[nH+]c1CN1CCN(C(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000575865463 491566359 /nfs/dbraw/zinc/56/63/59/491566359.db2.gz CTJURAGGEAKKQZ-ZSZQSSIHSA-N 2 2 361.490 0.597 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000561035587 491571560 /nfs/dbraw/zinc/57/15/60/491571560.db2.gz WQJUHDVBBXCDBQ-GTPINHCMSA-N 2 2 368.522 0.402 10 0 FCAELP CN1CCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)[C@@H](C[NH3+])C1 ZINC000561180859 491581098 /nfs/dbraw/zinc/58/10/98/491581098.db2.gz GXJRWLHUVWRICB-KRWDZBQOSA-N 3 2 366.554 0.221 10 0 FCAELP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)[NH+]1CCOCC1 ZINC000668427442 493352455 /nfs/dbraw/zinc/35/24/55/493352455.db2.gz KDQPPEICTDVTFN-HOTGVXAUSA-N 2 2 368.522 0.448 10 0 FCAELP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)[NH+]1CCOCC1 ZINC000668427442 493352459 /nfs/dbraw/zinc/35/24/59/493352459.db2.gz KDQPPEICTDVTFN-HOTGVXAUSA-N 2 2 368.522 0.448 10 0 FCAELP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)[NH+]1CCOCC1 ZINC000576135209 491584457 /nfs/dbraw/zinc/58/44/57/491584457.db2.gz UNEUCUANJDULQP-LPHOPBHVSA-N 2 2 366.506 0.062 10 0 FCAELP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)[NH+]1CCOCC1 ZINC000576135210 491584725 /nfs/dbraw/zinc/58/47/25/491584725.db2.gz UNEUCUANJDULQP-QFBILLFUSA-N 2 2 366.506 0.062 10 0 FCAELP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000569064987 491631214 /nfs/dbraw/zinc/63/12/14/491631214.db2.gz OWNNSAGEXOAEPB-UHFFFAOYSA-N 2 2 359.430 0.842 10 0 FCAELP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000569064987 491631218 /nfs/dbraw/zinc/63/12/18/491631218.db2.gz OWNNSAGEXOAEPB-UHFFFAOYSA-N 2 2 359.430 0.842 10 0 FCAELP C[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CCSC2)([NH+]2CCCCC2)CC1 ZINC000561834017 491633121 /nfs/dbraw/zinc/63/31/21/491633121.db2.gz QQZLXDYSDGVJGI-OAHLLOKOSA-N 2 2 368.547 0.675 10 0 FCAELP O=C(CCOC1C[NH2+]C1)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000577747555 491648687 /nfs/dbraw/zinc/64/86/87/491648687.db2.gz NCSKWICKGIIJET-UHFFFAOYSA-N 2 2 363.458 0.392 10 0 FCAELP C[C@H](NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000577781891 491652265 /nfs/dbraw/zinc/65/22/65/491652265.db2.gz OAFXJRRMCRAYNX-JUVOFCAFSA-N 2 2 368.522 0.448 10 0 FCAELP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CC(C)(C(N)=O)C3)CC2)cc1 ZINC000578234813 491672869 /nfs/dbraw/zinc/67/28/69/491672869.db2.gz URGKNUBILQBRSQ-UHFFFAOYSA-N 2 2 374.485 0.537 10 0 FCAELP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CC(C)(C(N)=O)C3)CC2)cc1 ZINC000578234813 491672870 /nfs/dbraw/zinc/67/28/70/491672870.db2.gz URGKNUBILQBRSQ-UHFFFAOYSA-N 2 2 374.485 0.537 10 0 FCAELP C[N@@H+]1CCN(C(=O)NCc2ncn(Cc3cccc(F)c3)n2)[C@@H](C[NH3+])C1 ZINC000578730101 491682981 /nfs/dbraw/zinc/68/29/81/491682981.db2.gz NDLVGJWPIZBZAT-HNNXBMFYSA-N 2 2 361.425 0.250 10 0 FCAELP C[N@H+]1CCN(C(=O)NCc2ncn(Cc3cccc(F)c3)n2)[C@@H](C[NH3+])C1 ZINC000578730101 491682982 /nfs/dbraw/zinc/68/29/82/491682982.db2.gz NDLVGJWPIZBZAT-HNNXBMFYSA-N 2 2 361.425 0.250 10 0 FCAELP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000579217715 491693312 /nfs/dbraw/zinc/69/33/12/491693312.db2.gz HFSYOAIQYKXJRO-UKRRQHHQSA-N 2 2 350.488 0.507 10 0 FCAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000579893253 491708229 /nfs/dbraw/zinc/70/82/29/491708229.db2.gz YHSUXMCYVKWYDH-DLBZAZTESA-N 2 2 359.474 0.135 10 0 FCAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000579893253 491708230 /nfs/dbraw/zinc/70/82/30/491708230.db2.gz YHSUXMCYVKWYDH-DLBZAZTESA-N 2 2 359.474 0.135 10 0 FCAELP COC[C@@H](CCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)OC ZINC000660574927 493362789 /nfs/dbraw/zinc/36/27/89/493362789.db2.gz QZADKAWZMWMCGP-QGZVFWFLSA-N 2 2 356.511 0.896 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)NCC2([NH3+])CCCCC2)C1=O ZINC000580631994 491739265 /nfs/dbraw/zinc/73/92/65/491739265.db2.gz IQVGJWJWQKQYNJ-CQSZACIVSA-N 2 2 362.478 0.872 10 0 FCAELP C[NH+]1CCC(CNC(=O)CCn2cnccc2=O)([NH+]2CCCCC2)CC1 ZINC000580942951 491752466 /nfs/dbraw/zinc/75/24/66/491752466.db2.gz NCSVBXIHBWFUQO-UHFFFAOYSA-N 2 2 361.490 0.700 10 0 FCAELP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccc4[nH+]ccn4c3)C2)CC1 ZINC000581327156 491768878 /nfs/dbraw/zinc/76/88/78/491768878.db2.gz NYKMGGVOXQGMJC-MRXNPFEDSA-N 2 2 370.457 0.511 10 0 FCAELP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)NC[C@@H]1C[NH2+]CCO1 ZINC000581715967 491783896 /nfs/dbraw/zinc/78/38/96/491783896.db2.gz PCFPRXUUHKWLEC-AWEZNQCLSA-N 2 2 352.866 0.986 10 0 FCAELP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)NC[C@@H]1C[NH2+]CCO1 ZINC000581715967 491783897 /nfs/dbraw/zinc/78/38/97/491783897.db2.gz PCFPRXUUHKWLEC-AWEZNQCLSA-N 2 2 352.866 0.986 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)CN2CC[NH2+]CC2=O)[C@@H]1c1ccc(Cl)cc1 ZINC000582544925 491817194 /nfs/dbraw/zinc/81/71/94/491817194.db2.gz CVRKLBQTNXYCKE-YOEHRIQHSA-N 2 2 350.850 0.633 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)CN2CC[NH2+]CC2=O)[C@@H]1c1ccc(Cl)cc1 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MFJHWGFVQHBLHI-HOTGVXAUSA-N 2 2 357.458 0.918 10 0 FCAELP COC(=O)[C@@H]1C[N@@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)Cc2ccccc21 ZINC000600884347 491888170 /nfs/dbraw/zinc/88/81/70/491888170.db2.gz FBDJAWGRLQMBHS-CVEARBPZSA-N 2 2 359.426 0.448 10 0 FCAELP COC(=O)[C@@H]1C[N@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)Cc2ccccc21 ZINC000600884347 491888172 /nfs/dbraw/zinc/88/81/72/491888172.db2.gz FBDJAWGRLQMBHS-CVEARBPZSA-N 2 2 359.426 0.448 10 0 FCAELP CC(C)(C)OC(=O)C1CC[NH+](Cc2cn(C[C@@H]3C[NH2+]CCO3)nn2)CC1 ZINC000600977269 491890880 /nfs/dbraw/zinc/89/08/80/491890880.db2.gz DSVWFZSGARBSFX-INIZCTEOSA-N 2 2 365.478 0.820 10 0 FCAELP COC(=O)CC[C@@H](C(=O)OC)[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000595404021 491928993 /nfs/dbraw/zinc/92/89/93/491928993.db2.gz OHSNOJZCMDQREF-KRWDZBQOSA-N 2 2 369.506 0.972 10 0 FCAELP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000612547520 491932381 /nfs/dbraw/zinc/93/23/81/491932381.db2.gz FIIDYUARPNSXIC-IAGOWNOFSA-N 2 2 366.506 0.300 10 0 FCAELP 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/nfs/dbraw/zinc/57/88/74/492578874.db2.gz FAWCDEBYJNKOEQ-HRCADAONSA-N 2 2 368.522 0.448 10 0 FCAELP O=C(C[NH+]1CCC(Cn2cnnc2)CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000649785318 492583105 /nfs/dbraw/zinc/58/31/05/492583105.db2.gz AZTRLJIVSYQCFH-UHFFFAOYSA-N 2 2 372.473 0.928 10 0 FCAELP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656325269 492593802 /nfs/dbraw/zinc/59/38/02/492593802.db2.gz MVSFLKDEHROUAB-OAGGEKHMSA-N 2 2 356.511 0.448 10 0 FCAELP CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656325269 492593806 /nfs/dbraw/zinc/59/38/06/492593806.db2.gz MVSFLKDEHROUAB-OAGGEKHMSA-N 2 2 356.511 0.448 10 0 FCAELP CCC[NH+](CC)CCNC(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656325269 492593809 /nfs/dbraw/zinc/59/38/09/492593809.db2.gz MVSFLKDEHROUAB-OAGGEKHMSA-N 2 2 356.511 0.448 10 0 FCAELP CCC[NH+](CC)CCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656325269 492593811 /nfs/dbraw/zinc/59/38/11/492593811.db2.gz MVSFLKDEHROUAB-OAGGEKHMSA-N 2 2 356.511 0.448 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656333540 492597216 /nfs/dbraw/zinc/59/72/16/492597216.db2.gz IMQWKTOKIGXGIQ-DGXTUMSLSA-N 2 2 366.506 0.342 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656333540 492597221 /nfs/dbraw/zinc/59/72/21/492597221.db2.gz IMQWKTOKIGXGIQ-DGXTUMSLSA-N 2 2 366.506 0.342 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656333540 492597223 /nfs/dbraw/zinc/59/72/23/492597223.db2.gz IMQWKTOKIGXGIQ-DGXTUMSLSA-N 2 2 366.506 0.342 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656333540 492597229 /nfs/dbraw/zinc/59/72/29/492597229.db2.gz IMQWKTOKIGXGIQ-DGXTUMSLSA-N 2 2 366.506 0.342 10 0 FCAELP O=S(=O)(CC[NH2+]Cc1cn[nH]c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000624215118 492628523 /nfs/dbraw/zinc/62/85/23/492628523.db2.gz UOGGTPWHQPEKPJ-UHFFFAOYSA-N 2 2 350.448 0.046 10 0 FCAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000624283570 492633990 /nfs/dbraw/zinc/63/39/90/492633990.db2.gz SKLAVMIRAQXVNK-PBHICJAKSA-N 2 2 367.519 0.372 10 0 FCAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000624283570 492633994 /nfs/dbraw/zinc/63/39/94/492633994.db2.gz SKLAVMIRAQXVNK-PBHICJAKSA-N 2 2 367.519 0.372 10 0 FCAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CN(S(=O)(=O)N(C)C)C2)[C@@H](C)C1 ZINC000624283436 492634075 /nfs/dbraw/zinc/63/40/75/492634075.db2.gz OOUJINNCTGSDMY-HOCLYGCPSA-N 2 2 362.540 0.204 10 0 FCAELP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CN(S(=O)(=O)N(C)C)C2)[C@@H](C)C1 ZINC000624283436 492634081 /nfs/dbraw/zinc/63/40/81/492634081.db2.gz OOUJINNCTGSDMY-HOCLYGCPSA-N 2 2 362.540 0.204 10 0 FCAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000624283572 492634222 /nfs/dbraw/zinc/63/42/22/492634222.db2.gz SKLAVMIRAQXVNK-WMLDXEAASA-N 2 2 367.519 0.372 10 0 FCAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000624283572 492634225 /nfs/dbraw/zinc/63/42/25/492634225.db2.gz SKLAVMIRAQXVNK-WMLDXEAASA-N 2 2 367.519 0.372 10 0 FCAELP CC(C)[N@H+](C)C[C@@H](O)CN1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000656698012 492643150 /nfs/dbraw/zinc/64/31/50/492643150.db2.gz XXJDHBBHKCXKAA-SJLPKXTDSA-N 2 2 354.539 0.752 10 0 FCAELP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000656698012 492643153 /nfs/dbraw/zinc/64/31/53/492643153.db2.gz XXJDHBBHKCXKAA-SJLPKXTDSA-N 2 2 354.539 0.752 10 0 FCAELP CCN1C(=O)CO[C@H](C(=O)NCCCn2cc[nH+]c2C)[C@H]1c1[nH+]ccn1C ZINC000624475536 492652413 /nfs/dbraw/zinc/65/24/13/492652413.db2.gz UILQHBZMUZERMJ-HOTGVXAUSA-N 2 2 374.445 0.420 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC[C@@]3(O)CCOC3)CC2)CC1 ZINC000650797872 492669312 /nfs/dbraw/zinc/66/93/12/492669312.db2.gz GAACNCYVYOKAHZ-GOSISDBHSA-N 2 2 354.495 0.386 10 0 FCAELP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000629797230 492676435 /nfs/dbraw/zinc/67/64/35/492676435.db2.gz BRVAYCNZJUSTRW-KDURUIRLSA-N 2 2 366.506 0.014 10 0 FCAELP Cc1cc(N2CCC(NC(=O)NC[C@H]3COCC[N@H+]3C)CC2)nc(C)[nH+]1 ZINC000624742892 492679071 /nfs/dbraw/zinc/67/90/71/492679071.db2.gz ZHIYEYNDEKEUTD-INIZCTEOSA-N 2 2 362.478 0.692 10 0 FCAELP Cc1cc(N2CCC(NC(=O)NC[C@H]3COCC[N@@H+]3C)CC2)nc(C)[nH+]1 ZINC000624742892 492679075 /nfs/dbraw/zinc/67/90/75/492679075.db2.gz ZHIYEYNDEKEUTD-INIZCTEOSA-N 2 2 362.478 0.692 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cnn2c1OCCC2 ZINC000657071309 492709295 /nfs/dbraw/zinc/70/92/95/492709295.db2.gz JKDJSHJLUWXGBS-ZDUSSCGKSA-N 2 2 359.496 0.216 10 0 FCAELP C[N@H+](CC(=O)NC[C@@]1(CO)COCC[NH+]1Cc1ccccc1)C1CCC1 ZINC000630017584 492717317 /nfs/dbraw/zinc/71/73/17/492717317.db2.gz PBDWKYQCANORDU-HXUWFJFHSA-N 2 2 361.486 0.850 10 0 FCAELP C[N@@H+](CC(=O)NC[C@@]1(CO)COCC[NH+]1Cc1ccccc1)C1CCC1 ZINC000630017584 492717318 /nfs/dbraw/zinc/71/73/18/492717318.db2.gz PBDWKYQCANORDU-HXUWFJFHSA-N 2 2 361.486 0.850 10 0 FCAELP C[NH+](CC(=O)NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1)C1CCC1 ZINC000630017584 492717321 /nfs/dbraw/zinc/71/73/21/492717321.db2.gz PBDWKYQCANORDU-HXUWFJFHSA-N 2 2 361.486 0.850 10 0 FCAELP C[NH+](CC(=O)NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1)C1CCC1 ZINC000630017584 492717325 /nfs/dbraw/zinc/71/73/25/492717325.db2.gz PBDWKYQCANORDU-HXUWFJFHSA-N 2 2 361.486 0.850 10 0 FCAELP CC(C)C[N@H+](C)CCCNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000651191124 492720286 /nfs/dbraw/zinc/72/02/86/492720286.db2.gz NCRZPWOKUOASKC-UHFFFAOYSA-N 2 2 367.538 0.914 10 0 FCAELP CC(C)C[N@@H+](C)CCCNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000651191124 492720289 /nfs/dbraw/zinc/72/02/89/492720289.db2.gz NCRZPWOKUOASKC-UHFFFAOYSA-N 2 2 367.538 0.914 10 0 FCAELP C[NH+]1CCN(C(=O)c2ccc(NCC[NH+]3CCOCC3)c(F)c2)CC1 ZINC000630388120 492744520 /nfs/dbraw/zinc/74/45/20/492744520.db2.gz DOFXNFAJRKBHDP-UHFFFAOYSA-N 2 2 350.438 0.957 10 0 FCAELP Cc1c[nH]c(C[NH2+]C[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)n1 ZINC000657447250 492751874 /nfs/dbraw/zinc/75/18/74/492751874.db2.gz OHNVHRIRIIGNPR-HNNXBMFYSA-N 2 2 371.489 0.654 10 0 FCAELP NS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(F)c1 ZINC000657753502 492790627 /nfs/dbraw/zinc/79/06/27/492790627.db2.gz WYUSTKPDKVKZKY-AWEZNQCLSA-N 2 2 357.451 0.816 10 0 FCAELP CC(C)[C@H](C[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1)N1CC[NH+](C)CC1 ZINC000631038632 492793805 /nfs/dbraw/zinc/79/38/05/492793805.db2.gz FAHWXKNUHDTWMU-WMZOPIPTSA-N 2 2 350.511 0.676 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000625570838 492823499 /nfs/dbraw/zinc/82/34/99/492823499.db2.gz PXGVOXHMWAVQEF-NVXWUHKLSA-N 2 2 366.506 0.299 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000625570838 492823501 /nfs/dbraw/zinc/82/35/01/492823501.db2.gz PXGVOXHMWAVQEF-NVXWUHKLSA-N 2 2 366.506 0.299 10 0 FCAELP C[C@@H](CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)[NH+]1CCc2sccc2C1 ZINC000631728135 492842682 /nfs/dbraw/zinc/84/26/82/492842682.db2.gz VRAKZPAAWOCEMP-ZFWWWQNUSA-N 2 2 373.544 0.745 10 0 FCAELP C[C@@H](CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCc2sccc2C1 ZINC000631728135 492842688 /nfs/dbraw/zinc/84/26/88/492842688.db2.gz VRAKZPAAWOCEMP-ZFWWWQNUSA-N 2 2 373.544 0.745 10 0 FCAELP C[C@@H](CNS(=O)(=O)C[C@@H]1C[NH+](C)CCO1)[N@@H+]1CCc2sccc2C1 ZINC000631728135 492842691 /nfs/dbraw/zinc/84/26/91/492842691.db2.gz VRAKZPAAWOCEMP-ZFWWWQNUSA-N 2 2 373.544 0.745 10 0 FCAELP C[C@@H](CNS(=O)(=O)C[C@@H]1C[NH+](C)CCO1)[N@H+]1CCc2sccc2C1 ZINC000631728135 492842696 /nfs/dbraw/zinc/84/26/96/492842696.db2.gz VRAKZPAAWOCEMP-ZFWWWQNUSA-N 2 2 373.544 0.745 10 0 FCAELP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCN(c3c[nH+]ccc3C)CC2)CC1 ZINC000658216564 492851196 /nfs/dbraw/zinc/85/11/96/492851196.db2.gz ZHCYVXSBVNGYKD-UHFFFAOYSA-N 2 2 359.474 0.593 10 0 FCAELP CC[N@H+]1CCCN(C(=O)C(=O)N2CCN(c3c[nH+]ccc3C)CC2)CC1 ZINC000658216564 492851202 /nfs/dbraw/zinc/85/12/02/492851202.db2.gz ZHCYVXSBVNGYKD-UHFFFAOYSA-N 2 2 359.474 0.593 10 0 FCAELP Cc1ccc([C@@H](CNS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)[NH+](C)C)cc1 ZINC000631812376 492856648 /nfs/dbraw/zinc/85/66/48/492856648.db2.gz HQSHKSCCEFLCLK-IAGOWNOFSA-N 2 2 355.504 0.848 10 0 FCAELP Cc1ccc([C@@H](CNS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)[NH+](C)C)cc1 ZINC000631812376 492856654 /nfs/dbraw/zinc/85/66/54/492856654.db2.gz HQSHKSCCEFLCLK-IAGOWNOFSA-N 2 2 355.504 0.848 10 0 FCAELP C[C@@H]1C[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000631839871 492859495 /nfs/dbraw/zinc/85/94/95/492859495.db2.gz LWROJGDWVDRYOX-VQIMIIECSA-N 3 2 360.502 0.662 10 0 FCAELP C[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000631839871 492859497 /nfs/dbraw/zinc/85/94/97/492859497.db2.gz LWROJGDWVDRYOX-VQIMIIECSA-N 3 2 360.502 0.662 10 0 FCAELP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631844309 492861735 /nfs/dbraw/zinc/86/17/35/492861735.db2.gz WJFSYUHPRQSEAI-MGPQQGTHSA-N 2 2 368.503 0.791 10 0 FCAELP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631844309 492861738 /nfs/dbraw/zinc/86/17/38/492861738.db2.gz WJFSYUHPRQSEAI-MGPQQGTHSA-N 2 2 368.503 0.791 10 0 FCAELP CCc1cc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n(C)n1 ZINC000658335727 492861907 /nfs/dbraw/zinc/86/19/07/492861907.db2.gz FTOCECYSKZBOKK-ZDUSSCGKSA-N 2 2 352.483 0.309 10 0 FCAELP CCc1cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n(C)n1 ZINC000658335727 492861912 /nfs/dbraw/zinc/86/19/12/492861912.db2.gz FTOCECYSKZBOKK-ZDUSSCGKSA-N 2 2 352.483 0.309 10 0 FCAELP COc1ncc(C)cc1NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000658335965 492862095 /nfs/dbraw/zinc/86/20/95/492862095.db2.gz KHVKCUVWJHLDAK-AWEZNQCLSA-N 2 2 365.478 0.725 10 0 FCAELP COc1ncc(C)cc1NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000658335965 492862098 /nfs/dbraw/zinc/86/20/98/492862098.db2.gz KHVKCUVWJHLDAK-AWEZNQCLSA-N 2 2 365.478 0.725 10 0 FCAELP CCc1noc(C)c1NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000658336069 492862273 /nfs/dbraw/zinc/86/22/73/492862273.db2.gz MWSXHQKEFKIILX-LBPRGKRZSA-N 2 2 353.467 0.872 10 0 FCAELP CCc1noc(C)c1NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000658336069 492862276 /nfs/dbraw/zinc/86/22/76/492862276.db2.gz MWSXHQKEFKIILX-LBPRGKRZSA-N 2 2 353.467 0.872 10 0 FCAELP CC(C)N(CCCNC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)S(C)(=O)=O ZINC000631885864 492869263 /nfs/dbraw/zinc/86/92/63/492869263.db2.gz BWNREPOCYNOFOU-CVEARBPZSA-N 2 2 374.551 0.237 10 0 FCAELP CC(C)N(CCCNC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)S(C)(=O)=O ZINC000631885864 492869266 /nfs/dbraw/zinc/86/92/66/492869266.db2.gz BWNREPOCYNOFOU-CVEARBPZSA-N 2 2 374.551 0.237 10 0 FCAELP O=C(CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)N1CCN(c2ncccn2)CC1 ZINC000631888753 492870245 /nfs/dbraw/zinc/87/02/45/492870245.db2.gz AGDPCUIZSXHDDF-IAGOWNOFSA-N 2 2 358.490 0.589 10 0 FCAELP O=C(CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)N1CCN(c2ncccn2)CC1 ZINC000631888753 492870251 /nfs/dbraw/zinc/87/02/51/492870251.db2.gz AGDPCUIZSXHDDF-IAGOWNOFSA-N 2 2 358.490 0.589 10 0 FCAELP NC(=O)COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887419 492870629 /nfs/dbraw/zinc/87/06/29/492870629.db2.gz NKLXADOBEAEBRT-NVXWUHKLSA-N 2 2 360.458 0.241 10 0 FCAELP NC(=O)COc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887419 492870631 /nfs/dbraw/zinc/87/06/31/492870631.db2.gz NKLXADOBEAEBRT-NVXWUHKLSA-N 2 2 360.458 0.241 10 0 FCAELP NC(=O)COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887421 492870870 /nfs/dbraw/zinc/87/08/70/492870870.db2.gz NKLXADOBEAEBRT-WBVHZDCISA-N 2 2 360.458 0.241 10 0 FCAELP NC(=O)COc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887421 492870874 /nfs/dbraw/zinc/87/08/74/492870874.db2.gz NKLXADOBEAEBRT-WBVHZDCISA-N 2 2 360.458 0.241 10 0 FCAELP CN(Cc1[nH+]ccn1C)C(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000625748246 492878495 /nfs/dbraw/zinc/87/84/95/492878495.db2.gz XKZGIRWKORAGBF-UHFFFAOYSA-N 2 2 363.462 0.092 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@@H](Nc4ncccn4)C3)C2)CC1 ZINC000645234122 492881798 /nfs/dbraw/zinc/88/17/98/492881798.db2.gz PBOQSMPMSKYKTA-HZPDHXFCSA-N 2 2 373.505 0.841 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@@H](Nc4ncccn4)C3)C2)CC1 ZINC000645234122 492881802 /nfs/dbraw/zinc/88/18/02/492881802.db2.gz PBOQSMPMSKYKTA-HZPDHXFCSA-N 2 2 373.505 0.841 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000658428169 492886644 /nfs/dbraw/zinc/88/66/44/492886644.db2.gz RVPXKJSGFDIFMK-UHFFFAOYSA-N 3 2 361.490 0.570 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000658428169 492886646 /nfs/dbraw/zinc/88/66/46/492886646.db2.gz RVPXKJSGFDIFMK-UHFFFAOYSA-N 3 2 361.490 0.570 10 0 FCAELP C[NH+](C)CCC[NH+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000658428169 492886649 /nfs/dbraw/zinc/88/66/49/492886649.db2.gz RVPXKJSGFDIFMK-UHFFFAOYSA-N 3 2 361.490 0.570 10 0 FCAELP C[NH+](C)CCC[NH+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000658428169 492886652 /nfs/dbraw/zinc/88/66/52/492886652.db2.gz RVPXKJSGFDIFMK-UHFFFAOYSA-N 3 2 361.490 0.570 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1nc(C(F)(F)F)co1 ZINC000658429138 492886817 /nfs/dbraw/zinc/88/68/17/492886817.db2.gz SLPXMWATWRHZAN-UHFFFAOYSA-N 2 2 365.356 0.632 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1nc(C(F)(F)F)co1 ZINC000658429138 492886819 /nfs/dbraw/zinc/88/68/19/492886819.db2.gz SLPXMWATWRHZAN-UHFFFAOYSA-N 2 2 365.356 0.632 10 0 FCAELP CN1CCc2ccc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc21 ZINC000658428885 492886986 /nfs/dbraw/zinc/88/69/86/492886986.db2.gz PDQAKGSQNMCTBY-UHFFFAOYSA-N 2 2 361.490 0.617 10 0 FCAELP CN1CCc2ccc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc21 ZINC000658428885 492886991 /nfs/dbraw/zinc/88/69/91/492886991.db2.gz PDQAKGSQNMCTBY-UHFFFAOYSA-N 2 2 361.490 0.617 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)CCC2=O ZINC000658429444 492887496 /nfs/dbraw/zinc/88/74/96/492887496.db2.gz XKPVOVHPANAJTH-UHFFFAOYSA-N 2 2 360.458 0.754 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)CCC2=O ZINC000658429444 492887498 /nfs/dbraw/zinc/88/74/98/492887498.db2.gz XKPVOVHPANAJTH-UHFFFAOYSA-N 2 2 360.458 0.754 10 0 FCAELP COc1cc(F)c(F)cc1NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000658429538 492887816 /nfs/dbraw/zinc/88/78/16/492887816.db2.gz ZQFCNEDXWBQSIB-UHFFFAOYSA-N 2 2 372.416 0.912 10 0 FCAELP COc1cc(F)c(F)cc1NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000658429538 492887820 /nfs/dbraw/zinc/88/78/20/492887820.db2.gz ZQFCNEDXWBQSIB-UHFFFAOYSA-N 2 2 372.416 0.912 10 0 FCAELP CCc1ccc([C@H]2C[NH2+]CCN2S(=O)(=O)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000631935672 492891032 /nfs/dbraw/zinc/89/10/32/492891032.db2.gz LACNHDLPGOQZKG-DLBZAZTESA-N 2 2 353.488 0.514 10 0 FCAELP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000631935965 492891129 /nfs/dbraw/zinc/89/11/29/492891129.db2.gz POSKKCLVKUGEQE-WFASDCNBSA-N 2 2 359.879 0.605 10 0 FCAELP C[C@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[C@@H]1CCC(=O)N1 ZINC000625856551 492894700 /nfs/dbraw/zinc/89/47/00/492894700.db2.gz APLDNMDHLPYKIF-HOTGVXAUSA-N 2 2 350.507 0.968 10 0 FCAELP C[NH2+]CCOCCN(C)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000625869836 492896849 /nfs/dbraw/zinc/89/68/49/492896849.db2.gz MRFYPSMGHFHULU-UHFFFAOYSA-N 2 2 351.451 0.926 10 0 FCAELP [NH3+]C[C@@H](NC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)C(F)(F)F ZINC000625899470 492900515 /nfs/dbraw/zinc/90/05/15/492900515.db2.gz UTLTZHJFAUYNAZ-CHWSQXEVSA-N 2 2 361.368 0.471 10 0 FCAELP [NH3+]C[C@@H](NC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)C(F)(F)F ZINC000625899470 492900518 /nfs/dbraw/zinc/90/05/18/492900518.db2.gz UTLTZHJFAUYNAZ-CHWSQXEVSA-N 2 2 361.368 0.471 10 0 FCAELP C[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1=O ZINC000638080790 492900810 /nfs/dbraw/zinc/90/08/10/492900810.db2.gz QUNURVLROGHDOH-WMZOPIPTSA-N 2 2 358.486 0.835 10 0 FCAELP C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1=O ZINC000638080790 492900814 /nfs/dbraw/zinc/90/08/14/492900814.db2.gz QUNURVLROGHDOH-WMZOPIPTSA-N 2 2 358.486 0.835 10 0 FCAELP C[C@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)N1CC[NH2+]CC1=O ZINC000638301057 492931263 /nfs/dbraw/zinc/93/12/63/492931263.db2.gz ANBXVWCCHXVVNF-AEFFLSMTSA-N 2 2 374.485 0.214 10 0 FCAELP C[C@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)N1CC[NH2+]CC1=O ZINC000638301057 492931265 /nfs/dbraw/zinc/93/12/65/492931265.db2.gz ANBXVWCCHXVVNF-AEFFLSMTSA-N 2 2 374.485 0.214 10 0 FCAELP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658532927 492932865 /nfs/dbraw/zinc/93/28/65/492932865.db2.gz JFLAHYNMWPKYKE-MRXNPFEDSA-N 2 2 370.413 0.139 10 0 FCAELP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)CC1 ZINC000658536509 492935778 /nfs/dbraw/zinc/93/57/78/492935778.db2.gz PFSSEGGOZCQXFQ-UHFFFAOYSA-N 2 2 374.485 0.359 10 0 FCAELP CCC[C@H]1CN(S(=O)(=O)C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CCOC ZINC000632163768 492941444 /nfs/dbraw/zinc/94/14/44/492941444.db2.gz BUHCOTIUYJZVMR-HOTGVXAUSA-N 2 2 363.524 0.080 10 0 FCAELP CCC[C@H]1CN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CCOC ZINC000632163768 492941448 /nfs/dbraw/zinc/94/14/48/492941448.db2.gz BUHCOTIUYJZVMR-HOTGVXAUSA-N 2 2 363.524 0.080 10 0 FCAELP CCC[C@H]1CN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CCOC ZINC000632163768 492941451 /nfs/dbraw/zinc/94/14/51/492941451.db2.gz BUHCOTIUYJZVMR-HOTGVXAUSA-N 2 2 363.524 0.080 10 0 FCAELP COC[C@@]1(C)C[NH+](CCOCC[N@@H+]2CCO[C@@](C)(COC)C2)CCO1 ZINC000626176115 492943795 /nfs/dbraw/zinc/94/37/95/492943795.db2.gz GGZDLIOPWRKSOM-QZTJIDSGSA-N 2 2 360.495 0.478 10 0 FCAELP COC[C@@]1(C)C[NH+](CCOCC[N@H+]2CCO[C@@](C)(COC)C2)CCO1 ZINC000626176115 492943798 /nfs/dbraw/zinc/94/37/98/492943798.db2.gz GGZDLIOPWRKSOM-QZTJIDSGSA-N 2 2 360.495 0.478 10 0 FCAELP CCO[C@@H]1CN(C(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@H]1C[NH3+] ZINC000652636619 492974564 /nfs/dbraw/zinc/97/45/64/492974564.db2.gz RJMYBISSLNPFHP-GDBMZVCRSA-N 2 2 371.441 0.848 10 0 FCAELP C[NH+](C)C[C@@H](NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)c1ccc(F)cc1 ZINC000632337915 492976475 /nfs/dbraw/zinc/97/64/75/492976475.db2.gz ZUPAWRXMDAHRGV-HZPDHXFCSA-N 2 2 359.467 0.678 10 0 FCAELP C[NH+](C)C[C@@H](NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)c1ccc(F)cc1 ZINC000632337915 492976478 /nfs/dbraw/zinc/97/64/78/492976478.db2.gz ZUPAWRXMDAHRGV-HZPDHXFCSA-N 2 2 359.467 0.678 10 0 FCAELP [NH3+]CC1(CCNC(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000652670626 492983951 /nfs/dbraw/zinc/98/39/51/492983951.db2.gz ZMRLNFCXSQJVEU-UHFFFAOYSA-N 2 2 374.485 0.380 10 0 FCAELP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)NCCC1(C[NH3+])CC1)c1ccccc1 ZINC000652673887 492984927 /nfs/dbraw/zinc/98/49/27/492984927.db2.gz DFKRLMMQFKZJBF-HNNXBMFYSA-N 2 2 355.442 0.871 10 0 FCAELP [NH3+]CC1(CCNC(=O)C(=O)NCc2[nH+]ccn2CCc2ccccc2)CC1 ZINC000652676985 492986757 /nfs/dbraw/zinc/98/67/57/492986757.db2.gz MRGYOWJAONZWGC-UHFFFAOYSA-N 2 2 369.469 0.987 10 0 FCAELP COCC[NH+]1CCN(C(=O)C(=O)N2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000632375392 492986849 /nfs/dbraw/zinc/98/68/49/492986849.db2.gz SEEIVBHKJNKCOS-UHFFFAOYSA-N 2 2 366.506 0.254 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cn([C@@H]4CCC[NH2+]C4)nn3)C2)CC1 ZINC000645977766 492994815 /nfs/dbraw/zinc/99/48/15/492994815.db2.gz LIRCUWODYQETTJ-GOEBONIOSA-N 3 2 361.494 0.101 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cn([C@@H]4CCC[NH2+]C4)nn3)C2)CC1 ZINC000645977766 492994819 /nfs/dbraw/zinc/99/48/19/492994819.db2.gz LIRCUWODYQETTJ-GOEBONIOSA-N 3 2 361.494 0.101 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cn([C@H]4CCC[NH2+]C4)nn3)C2)CC1 ZINC000645977767 492995260 /nfs/dbraw/zinc/99/52/60/492995260.db2.gz LIRCUWODYQETTJ-HOCLYGCPSA-N 3 2 361.494 0.101 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cn([C@H]4CCC[NH2+]C4)nn3)C2)CC1 ZINC000645977767 492995264 /nfs/dbraw/zinc/99/52/64/492995264.db2.gz LIRCUWODYQETTJ-HOCLYGCPSA-N 3 2 361.494 0.101 10 0 FCAELP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652714132 492998672 /nfs/dbraw/zinc/99/86/72/492998672.db2.gz DJZSLAXSGMJYNR-UHFFFAOYSA-N 2 2 374.485 0.585 10 0 FCAELP CC(C)[C@@H](C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000652735457 493012497 /nfs/dbraw/zinc/01/24/97/493012497.db2.gz KXNFNOQQENFUSM-NUJGCVRESA-N 2 2 368.522 0.353 10 0 FCAELP C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@H]3CC[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000652813879 493023002 /nfs/dbraw/zinc/02/30/02/493023002.db2.gz MWSSUBXXLIJPMK-QYZOEREBSA-N 2 2 359.470 0.819 10 0 FCAELP C[N@H+]1CCO[C@H](C(=O)N2CCO[C@H]3CC[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000652813879 493023006 /nfs/dbraw/zinc/02/30/06/493023006.db2.gz MWSSUBXXLIJPMK-QYZOEREBSA-N 2 2 359.470 0.819 10 0 FCAELP C[NH+]1CCO[C@H](C(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000652813879 493023009 /nfs/dbraw/zinc/02/30/09/493023009.db2.gz MWSSUBXXLIJPMK-QYZOEREBSA-N 2 2 359.470 0.819 10 0 FCAELP C[NH+]1CCO[C@H](C(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000652813879 493023014 /nfs/dbraw/zinc/02/30/14/493023014.db2.gz MWSSUBXXLIJPMK-QYZOEREBSA-N 2 2 359.470 0.819 10 0 FCAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000626865628 493041081 /nfs/dbraw/zinc/04/10/81/493041081.db2.gz ZTURSBQXZHKFEY-DZGCQCFKSA-N 2 2 361.446 0.422 10 0 FCAELP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC(C[NH+]2CCOCC2)C1 ZINC000646356674 493043798 /nfs/dbraw/zinc/04/37/98/493043798.db2.gz FPWILYBCWWGBIZ-IBGZPJMESA-N 2 2 359.470 0.678 10 0 FCAELP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC(C[NH+]2CCOCC2)C1 ZINC000646356674 493043802 /nfs/dbraw/zinc/04/38/02/493043802.db2.gz FPWILYBCWWGBIZ-IBGZPJMESA-N 2 2 359.470 0.678 10 0 FCAELP O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC(C[NH+]2CCOCC2)C1 ZINC000646356675 493044157 /nfs/dbraw/zinc/04/41/57/493044157.db2.gz FPWILYBCWWGBIZ-LJQANCHMSA-N 2 2 359.470 0.678 10 0 FCAELP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC(C[NH+]2CCOCC2)C1 ZINC000646356675 493044159 /nfs/dbraw/zinc/04/41/59/493044159.db2.gz FPWILYBCWWGBIZ-LJQANCHMSA-N 2 2 359.470 0.678 10 0 FCAELP C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C[NH2+]1 ZINC000626888824 493051811 /nfs/dbraw/zinc/05/18/11/493051811.db2.gz PTOPUUPCIWOUHU-MAUKXSAKSA-N 2 2 373.501 0.629 10 0 FCAELP [NH3+]C1(CNC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)CCOCC1 ZINC000626926254 493065098 /nfs/dbraw/zinc/06/50/98/493065098.db2.gz ZLHQYCHWEKEOGS-KRWDZBQOSA-N 2 2 362.474 0.867 10 0 FCAELP C[NH2+]CCOCCNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000626943985 493068400 /nfs/dbraw/zinc/06/84/00/493068400.db2.gz MCRZGSQYNXQZHD-GOSISDBHSA-N 2 2 364.490 0.904 10 0 FCAELP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000653158902 493080587 /nfs/dbraw/zinc/08/05/87/493080587.db2.gz OWMQAYXFBXRFCU-LSDHHAIUSA-N 2 2 360.437 0.794 10 0 FCAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000627170019 493099950 /nfs/dbraw/zinc/09/99/50/493099950.db2.gz COOLKTYMGFLMNM-IXDOHACOSA-N 2 2 365.522 0.855 10 0 FCAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000627170279 493100226 /nfs/dbraw/zinc/10/02/26/493100226.db2.gz LSORDHDPTUDFCK-UONOGXRCSA-N 2 2 358.450 0.335 10 0 FCAELP O=C(NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000627224369 493109828 /nfs/dbraw/zinc/10/98/28/493109828.db2.gz KONKBJSGXOQBBL-SQNIBIBYSA-N 2 2 359.474 0.818 10 0 FCAELP O=C(NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000627224369 493109832 /nfs/dbraw/zinc/10/98/32/493109832.db2.gz KONKBJSGXOQBBL-SQNIBIBYSA-N 2 2 359.474 0.818 10 0 FCAELP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000633090448 493121522 /nfs/dbraw/zinc/12/15/22/493121522.db2.gz DNAJOXQMQLDPJC-HLLBOEOZSA-N 2 2 359.474 0.340 10 0 FCAELP COc1cc[nH+]cc1NC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000658999585 493122934 /nfs/dbraw/zinc/12/29/34/493122934.db2.gz MHPDDXVYLBMMJA-ZDUSSCGKSA-N 2 2 350.419 0.598 10 0 FCAELP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000659024484 493127366 /nfs/dbraw/zinc/12/73/66/493127366.db2.gz DUPQOAQCIHZEKP-HUUCEWRRSA-N 2 2 373.423 0.991 10 0 FCAELP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000659024484 493127368 /nfs/dbraw/zinc/12/73/68/493127368.db2.gz DUPQOAQCIHZEKP-HUUCEWRRSA-N 2 2 373.423 0.991 10 0 FCAELP C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C[NH2+]1 ZINC000627290417 493136015 /nfs/dbraw/zinc/13/60/15/493136015.db2.gz PDLSJRAOTNYSGB-NJAFHUGGSA-N 2 2 374.485 0.260 10 0 FCAELP C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C[NH2+]1 ZINC000627290417 493136018 /nfs/dbraw/zinc/13/60/18/493136018.db2.gz PDLSJRAOTNYSGB-NJAFHUGGSA-N 2 2 374.485 0.260 10 0 FCAELP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659071610 493138858 /nfs/dbraw/zinc/13/88/58/493138858.db2.gz PJUFGXPZGAZDHH-CZUORRHYSA-N 2 2 357.414 0.687 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)Nc1ccc([C@@H]3C[NH2+]CCO3)cc1)CC2 ZINC000659076310 493140747 /nfs/dbraw/zinc/14/07/47/493140747.db2.gz LPDQZORMVOOMSR-INIZCTEOSA-N 2 2 369.425 0.833 10 0 FCAELP C[NH2+]CCOCCN(C)C(=O)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000627309592 493144941 /nfs/dbraw/zinc/14/49/41/493144941.db2.gz VIZCPTJMWJPZKL-UHFFFAOYSA-N 2 2 361.446 0.155 10 0 FCAELP C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C[NH2+]1 ZINC000627312757 493146459 /nfs/dbraw/zinc/14/64/59/493146459.db2.gz HYTFGVUFHCDZEF-QXSJWSMHSA-N 2 2 352.479 0.003 10 0 FCAELP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000627317045 493148936 /nfs/dbraw/zinc/14/89/36/493148936.db2.gz CUYZKPGGFBFHAP-INIZCTEOSA-N 2 2 373.457 0.320 10 0 FCAELP C[C@H](c1cccc(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)c1)[NH+]1CCOCC1 ZINC000659099639 493152635 /nfs/dbraw/zinc/15/26/35/493152635.db2.gz KASSPWOAEXRSIT-ZUIJCZDSSA-N 2 2 372.469 0.968 10 0 FCAELP Cc1cccn2cc(CCNC(=O)C(=O)N[C@H]3CC[NH2+]C34CCC4)[nH+]c12 ZINC000627327323 493155824 /nfs/dbraw/zinc/15/58/24/493155824.db2.gz UUDUCMXGEKIERP-HNNXBMFYSA-N 2 2 355.442 0.702 10 0 FCAELP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)NCC12CC(C1)C[NH2+]2 ZINC000659445166 493180710 /nfs/dbraw/zinc/18/07/10/493180710.db2.gz DVPKXHGHTGUWQU-UHFFFAOYSA-N 2 2 374.485 0.949 10 0 FCAELP Cc1cc(NCCNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])nc(C(C)C)[nH+]1 ZINC000627422838 493211893 /nfs/dbraw/zinc/21/18/93/493211893.db2.gz WOTHSEWRUBMVMY-VXGBXAGGSA-N 2 2 350.467 0.679 10 0 FCAELP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000672594163 493212389 /nfs/dbraw/zinc/21/23/89/493212389.db2.gz LTAJIZLHQAXUIY-BRWVUGGUSA-N 2 2 366.506 0.299 10 0 FCAELP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC[N@H+]1C ZINC000672594163 493212392 /nfs/dbraw/zinc/21/23/92/493212392.db2.gz LTAJIZLHQAXUIY-BRWVUGGUSA-N 2 2 366.506 0.299 10 0 FCAELP CN(C(=O)NCc1cc(C(N)=O)co1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681801111 493218753 /nfs/dbraw/zinc/21/87/53/493218753.db2.gz SMRNYMLCXWGNIV-OAHLLOKOSA-N 2 2 363.462 0.688 10 0 FCAELP CN(C(=O)NCc1cc(C(N)=O)co1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681801111 493218754 /nfs/dbraw/zinc/21/87/54/493218754.db2.gz SMRNYMLCXWGNIV-OAHLLOKOSA-N 2 2 363.462 0.688 10 0 FCAELP C[C@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000666949344 493241418 /nfs/dbraw/zinc/24/14/18/493241418.db2.gz QDOIKDCWRNNXSI-GVDBMIGSSA-N 2 2 366.506 0.338 10 0 FCAELP C[C@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000666949344 493241420 /nfs/dbraw/zinc/24/14/20/493241420.db2.gz QDOIKDCWRNNXSI-GVDBMIGSSA-N 2 2 366.506 0.338 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659698496 493259602 /nfs/dbraw/zinc/25/96/02/493259602.db2.gz OLFNOLDCBPGSCF-RDJZCZTQSA-N 2 2 366.506 0.062 10 0 FCAELP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)N[C@@H](C)C[NH2+]C)CC2)s1 ZINC000659754836 493286683 /nfs/dbraw/zinc/28/66/83/493286683.db2.gz WGOZXGCRVZQGIR-ZDUSSCGKSA-N 2 2 352.504 0.679 10 0 FCAELP COC[C@H](C[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)OC ZINC000659953055 493307223 /nfs/dbraw/zinc/30/72/23/493307223.db2.gz ZGQDOBRLNCNDLF-HNNXBMFYSA-N 2 2 351.451 0.097 10 0 FCAELP Cc1ccc(CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)c(N2CCCC2)[nH+]1 ZINC000673257280 493307782 /nfs/dbraw/zinc/30/77/82/493307782.db2.gz MYTZQFYJCBRVTL-UHFFFAOYSA-N 2 2 371.485 0.913 10 0 FCAELP Cn1cc(C[NH+]2CCN(C(=O)Nc3cnn(CC[NH+](C)C)c3)CC2)cn1 ZINC000673866332 493369286 /nfs/dbraw/zinc/36/92/86/493369286.db2.gz ALWLTCUDDAQSRO-UHFFFAOYSA-N 2 2 360.466 0.528 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000660652942 493369958 /nfs/dbraw/zinc/36/99/58/493369958.db2.gz MVWVGVFJOWWUTG-UYAOXDASSA-N 3 2 366.550 0.877 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000660652942 493369963 /nfs/dbraw/zinc/36/99/63/493369963.db2.gz MVWVGVFJOWWUTG-UYAOXDASSA-N 3 2 366.550 0.877 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000660652942 493369967 /nfs/dbraw/zinc/36/99/67/493369967.db2.gz MVWVGVFJOWWUTG-UYAOXDASSA-N 3 2 366.550 0.877 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000660652942 493369968 /nfs/dbraw/zinc/36/99/68/493369968.db2.gz MVWVGVFJOWWUTG-UYAOXDASSA-N 3 2 366.550 0.877 10 0 FCAELP CO[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCOC1 ZINC000660711725 493375265 /nfs/dbraw/zinc/37/52/65/493375265.db2.gz GENCTQJPDXQBDY-HLLBOEOZSA-N 2 2 354.495 0.506 10 0 FCAELP CO[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCOC1 ZINC000660711725 493375266 /nfs/dbraw/zinc/37/52/66/493375266.db2.gz GENCTQJPDXQBDY-HLLBOEOZSA-N 2 2 354.495 0.506 10 0 FCAELP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000668552154 493375390 /nfs/dbraw/zinc/37/53/90/493375390.db2.gz FVOMGSWXEXZRKG-HNNXBMFYSA-N 2 2 361.490 0.867 10 0 FCAELP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000668552154 493375392 /nfs/dbraw/zinc/37/53/92/493375392.db2.gz FVOMGSWXEXZRKG-HNNXBMFYSA-N 2 2 361.490 0.867 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1CC[C@H](C3CC[NH+](C)CC3)C1)CC2 ZINC000660815654 493382243 /nfs/dbraw/zinc/38/22/43/493382243.db2.gz ZXDPYOUKHQBZTF-INIZCTEOSA-N 2 2 359.474 0.724 10 0 FCAELP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NCCn2cc[nH+]c2)C1 ZINC000660820983 493382525 /nfs/dbraw/zinc/38/25/25/493382525.db2.gz RYLVQDLROBTHLK-SFHVURJKSA-N 2 2 356.474 0.999 10 0 FCAELP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NCCn2cc[nH+]c2)C1 ZINC000660820983 493382527 /nfs/dbraw/zinc/38/25/27/493382527.db2.gz RYLVQDLROBTHLK-SFHVURJKSA-N 2 2 356.474 0.999 10 0 FCAELP C[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1[nH+]ccn1C ZINC000660852870 493386646 /nfs/dbraw/zinc/38/66/46/493386646.db2.gz KAKRPCUXNJQOBC-KGLIPLIRSA-N 2 2 350.467 0.723 10 0 FCAELP C[C@@H](NC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1[nH+]ccn1C ZINC000660852870 493386648 /nfs/dbraw/zinc/38/66/48/493386648.db2.gz KAKRPCUXNJQOBC-KGLIPLIRSA-N 2 2 350.467 0.723 10 0 FCAELP CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1 ZINC000661012055 493402139 /nfs/dbraw/zinc/40/21/39/493402139.db2.gz LTRKHTYKNYKSRI-LSDHHAIUSA-N 2 2 362.478 0.695 10 0 FCAELP CCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1 ZINC000661012055 493402144 /nfs/dbraw/zinc/40/21/44/493402144.db2.gz LTRKHTYKNYKSRI-LSDHHAIUSA-N 2 2 362.478 0.695 10 0 FCAELP C[NH+](C)CC1CCC(NC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000668776777 493408487 /nfs/dbraw/zinc/40/84/87/493408487.db2.gz GQTWFEHALIOFHR-JCYILVPMSA-N 2 2 366.506 0.156 10 0 FCAELP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000668813126 493414401 /nfs/dbraw/zinc/41/44/01/493414401.db2.gz XKMRRPUUKVAWEF-LLVKDONJSA-N 2 2 361.368 0.662 10 0 FCAELP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000668813126 493414404 /nfs/dbraw/zinc/41/44/04/493414404.db2.gz XKMRRPUUKVAWEF-LLVKDONJSA-N 2 2 361.368 0.662 10 0 FCAELP COc1c[nH+]ccc1N1CC[NH+](CC(=O)N2CCOC[C@H]2C2CC2)CC1 ZINC000684627708 493423841 /nfs/dbraw/zinc/42/38/41/493423841.db2.gz GWNABBGITLIURZ-KRWDZBQOSA-N 2 2 360.458 0.850 10 0 FCAELP C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000668910119 493435117 /nfs/dbraw/zinc/43/51/17/493435117.db2.gz DGYKDFAWXQEEMN-PMPSAXMXSA-N 2 2 366.506 0.297 10 0 FCAELP C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000668910119 493435121 /nfs/dbraw/zinc/43/51/21/493435121.db2.gz DGYKDFAWXQEEMN-PMPSAXMXSA-N 2 2 366.506 0.297 10 0 FCAELP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000669198369 493475728 /nfs/dbraw/zinc/47/57/28/493475728.db2.gz OEIRMMMXFMSSAG-LSDHHAIUSA-N 2 2 359.474 0.766 10 0 FCAELP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000669198369 493475731 /nfs/dbraw/zinc/47/57/31/493475731.db2.gz OEIRMMMXFMSSAG-LSDHHAIUSA-N 2 2 359.474 0.766 10 0 FCAELP O=S(=O)(NC1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1)c1ccc(F)cc1 ZINC000662253925 493500610 /nfs/dbraw/zinc/50/06/10/493500610.db2.gz YUANJJYGPDLBAF-OAHLLOKOSA-N 2 2 357.451 0.557 10 0 FCAELP O=C(NCC[NH+]1CCN(C[C@H]2C[NH2+]CCO2)CC1)c1ccccc1F ZINC000662260764 493500856 /nfs/dbraw/zinc/50/08/56/493500856.db2.gz CEJUHZOAKDDTKB-OAHLLOKOSA-N 2 2 350.438 0.162 10 0 FCAELP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000662348113 493508560 /nfs/dbraw/zinc/50/85/60/493508560.db2.gz OHFRMVPWDOUURO-GJZGRUSLSA-N 2 2 354.520 0.905 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)c2cn(CC[NH3+])nn2)[C@H]1c1ccc(F)c(F)c1 ZINC000662508756 493522429 /nfs/dbraw/zinc/52/24/29/493522429.db2.gz DYFVHQGLIASLSK-UKRRQHHQSA-N 2 2 350.373 0.690 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)c2cn(CC[NH3+])nn2)[C@H]1c1ccc(F)c(F)c1 ZINC000662508756 493522432 /nfs/dbraw/zinc/52/24/32/493522432.db2.gz DYFVHQGLIASLSK-UKRRQHHQSA-N 2 2 350.373 0.690 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676090238 493522613 /nfs/dbraw/zinc/52/26/13/493522613.db2.gz OFICPERBBUKOIZ-UHFFFAOYSA-N 2 2 365.397 0.983 10 0 FCAELP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676094753 493523835 /nfs/dbraw/zinc/52/38/35/493523835.db2.gz PRQBZPHLZGQXIR-CYBMUJFWSA-N 2 2 358.402 0.043 10 0 FCAELP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676094753 493523837 /nfs/dbraw/zinc/52/38/37/493523837.db2.gz PRQBZPHLZGQXIR-CYBMUJFWSA-N 2 2 358.402 0.043 10 0 FCAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000676266473 493538224 /nfs/dbraw/zinc/53/82/24/493538224.db2.gz NAIWCSLMDWAZIE-AWEZNQCLSA-N 2 2 361.446 0.376 10 0 FCAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000676266473 493538225 /nfs/dbraw/zinc/53/82/25/493538225.db2.gz NAIWCSLMDWAZIE-AWEZNQCLSA-N 2 2 361.446 0.376 10 0 FCAELP C[C@@H](NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676279987 493540378 /nfs/dbraw/zinc/54/03/78/493540378.db2.gz RXMJDJQUFQVSNH-IUODEOHRSA-N 2 2 358.402 0.041 10 0 FCAELP C[C@@H](NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676279987 493540379 /nfs/dbraw/zinc/54/03/79/493540379.db2.gz RXMJDJQUFQVSNH-IUODEOHRSA-N 2 2 358.402 0.041 10 0 FCAELP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662929882 493555255 /nfs/dbraw/zinc/55/52/55/493555255.db2.gz IJHIWOJSQZROKV-UHFFFAOYSA-N 2 2 372.469 0.289 10 0 FCAELP C[N@@H+]1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)[C@@H](Cc2ccccc2)C1 ZINC000662964078 493562070 /nfs/dbraw/zinc/56/20/70/493562070.db2.gz XPMNFWHVICIPOP-GNZRSQJKSA-N 2 2 356.470 0.321 10 0 FCAELP C[N@H+]1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)[C@@H](Cc2ccccc2)C1 ZINC000662964078 493562071 /nfs/dbraw/zinc/56/20/71/493562071.db2.gz XPMNFWHVICIPOP-GNZRSQJKSA-N 2 2 356.470 0.321 10 0 FCAELP O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000663324458 493584634 /nfs/dbraw/zinc/58/46/34/493584634.db2.gz PHAOTSHXHMNZDP-RRFJBIMHSA-N 2 2 359.430 0.516 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)CC2 ZINC000670671800 493587564 /nfs/dbraw/zinc/58/75/64/493587564.db2.gz HFXYQXMZKPABFX-OAHLLOKOSA-N 2 2 363.462 0.007 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)CC2 ZINC000670671800 493587566 /nfs/dbraw/zinc/58/75/66/493587566.db2.gz HFXYQXMZKPABFX-OAHLLOKOSA-N 2 2 363.462 0.007 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000663441304 493589550 /nfs/dbraw/zinc/58/95/50/493589550.db2.gz XWQXFPGOZCCJQE-INIZCTEOSA-N 3 2 357.543 0.668 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000663441304 493589553 /nfs/dbraw/zinc/58/95/53/493589553.db2.gz XWQXFPGOZCCJQE-INIZCTEOSA-N 3 2 357.543 0.668 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC(C)(C)N1CCOCC1 ZINC000663441304 493589554 /nfs/dbraw/zinc/58/95/54/493589554.db2.gz XWQXFPGOZCCJQE-INIZCTEOSA-N 2 2 357.543 0.668 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC(C)(C)N1CCOCC1 ZINC000663441304 493589556 /nfs/dbraw/zinc/58/95/56/493589556.db2.gz XWQXFPGOZCCJQE-INIZCTEOSA-N 2 2 357.543 0.668 10 0 FCAELP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000670905176 493610675 /nfs/dbraw/zinc/61/06/75/493610675.db2.gz PGTQPNCFRGBPOE-SFHVURJKSA-N 2 2 374.485 0.345 10 0 FCAELP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000670905176 493610678 /nfs/dbraw/zinc/61/06/78/493610678.db2.gz PGTQPNCFRGBPOE-SFHVURJKSA-N 2 2 374.485 0.345 10 0 FCAELP CC[NH+]1CCN(CC(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)CC1 ZINC000677711975 493613235 /nfs/dbraw/zinc/61/32/35/493613235.db2.gz FLMRCACHOJYHAU-UHFFFAOYSA-N 2 2 365.566 0.641 10 0 FCAELP CC[NH+]1CCN(CC(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC000677711975 493613236 /nfs/dbraw/zinc/61/32/36/493613236.db2.gz FLMRCACHOJYHAU-UHFFFAOYSA-N 2 2 365.566 0.641 10 0 FCAELP C[C@@H]1C[N@H+](CC(=O)N2CCOC[C@@H]2C2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000677988085 493629264 /nfs/dbraw/zinc/62/92/64/493629264.db2.gz MLJPTFJUFKTLEI-BHIYHBOVSA-N 2 2 364.534 0.582 10 0 FCAELP C[C@@H]1C[N@@H+](CC(=O)N2CCOC[C@@H]2C2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000677988085 493629267 /nfs/dbraw/zinc/62/92/67/493629267.db2.gz MLJPTFJUFKTLEI-BHIYHBOVSA-N 2 2 364.534 0.582 10 0 FCAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CC(=O)N2CCOC[C@@H]2C2CC2)CC1 ZINC000677985156 493629359 /nfs/dbraw/zinc/62/93/59/493629359.db2.gz ZOXUFLBFGCFNFW-RTBURBONSA-N 2 2 364.534 0.726 10 0 FCAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CC(=O)N2CCOC[C@@H]2C2CC2)CC1 ZINC000677985156 493629361 /nfs/dbraw/zinc/62/93/61/493629361.db2.gz ZOXUFLBFGCFNFW-RTBURBONSA-N 2 2 364.534 0.726 10 0 FCAELP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CCc2nnnn2-c2ccccc2)CC1 ZINC000678079780 493633197 /nfs/dbraw/zinc/63/31/97/493633197.db2.gz CPKATMQEYZQYLW-QGZVFWFLSA-N 2 2 369.473 0.619 10 0 FCAELP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CCc2nnnn2-c2ccccc2)CC1 ZINC000678079780 493633199 /nfs/dbraw/zinc/63/31/99/493633199.db2.gz CPKATMQEYZQYLW-QGZVFWFLSA-N 2 2 369.473 0.619 10 0 FCAELP O=C(NC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671102022 493633284 /nfs/dbraw/zinc/63/32/84/493633284.db2.gz UPQDOKILSFGVLV-DLBZAZTESA-N 2 2 371.485 0.910 10 0 FCAELP O=C(NC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671102022 493633286 /nfs/dbraw/zinc/63/32/86/493633286.db2.gz UPQDOKILSFGVLV-DLBZAZTESA-N 2 2 371.485 0.910 10 0 FCAELP C[NH+](C)CCN1CCN(c2nc3c(cnn3C(C)(C)C)c(N)[nH+]2)CC1=O ZINC000664061631 493633718 /nfs/dbraw/zinc/63/37/18/493633718.db2.gz XHXJDFOOEOETGG-UHFFFAOYSA-N 2 2 360.466 0.374 10 0 FCAELP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000664082549 493635563 /nfs/dbraw/zinc/63/55/63/493635563.db2.gz HUUPNCQYUMZZCQ-GVDBMIGSSA-N 2 2 365.522 0.175 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCSC[C@H]3CCO)C2)CC1 ZINC000678778918 493659606 /nfs/dbraw/zinc/65/96/06/493659606.db2.gz YUSAWCJXDJWAAQ-GDBMZVCRSA-N 2 2 356.536 0.664 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCSC[C@H]3CCO)C2)CC1 ZINC000678778918 493659609 /nfs/dbraw/zinc/65/96/09/493659609.db2.gz YUSAWCJXDJWAAQ-GDBMZVCRSA-N 2 2 356.536 0.664 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000664483403 493662265 /nfs/dbraw/zinc/66/22/65/493662265.db2.gz XMIBDBLSYNOAPC-MRXNPFEDSA-N 2 2 356.511 0.897 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000664483403 493662266 /nfs/dbraw/zinc/66/22/66/493662266.db2.gz XMIBDBLSYNOAPC-MRXNPFEDSA-N 2 2 356.511 0.897 10 0 FCAELP Cc1ncc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000671383350 493663044 /nfs/dbraw/zinc/66/30/44/493663044.db2.gz JMJJNEIRBNKLTN-ZDUSSCGKSA-N 2 2 365.503 0.352 10 0 FCAELP Cc1ncc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000671383350 493663046 /nfs/dbraw/zinc/66/30/46/493663046.db2.gz JMJJNEIRBNKLTN-ZDUSSCGKSA-N 2 2 365.503 0.352 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCc1cn2c(n1)SCC2 ZINC000664690045 493677714 /nfs/dbraw/zinc/67/77/14/493677714.db2.gz SAHUIUPLTYFNIB-UHFFFAOYSA-N 2 2 354.524 0.714 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCc1cn2c(n1)SCC2 ZINC000664690045 493677716 /nfs/dbraw/zinc/67/77/16/493677716.db2.gz SAHUIUPLTYFNIB-UHFFFAOYSA-N 2 2 354.524 0.714 10 0 FCAELP C[C@H](CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000665254644 493707008 /nfs/dbraw/zinc/70/70/08/493707008.db2.gz WCNSKQCLLXDKGG-ZACQAIPSSA-N 3 2 357.543 0.667 10 0 FCAELP C[C@H](CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000665254644 493707010 /nfs/dbraw/zinc/70/70/10/493707010.db2.gz WCNSKQCLLXDKGG-ZACQAIPSSA-N 3 2 357.543 0.667 10 0 FCAELP C[C@H](CNC(=O)NCC[NH+](C)CCC[NH+](C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000665254644 493707011 /nfs/dbraw/zinc/70/70/11/493707011.db2.gz WCNSKQCLLXDKGG-ZACQAIPSSA-N 3 2 357.543 0.667 10 0 FCAELP C[C@H](CNC(=O)NCC[NH+](C)CCC[NH+](C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000665254644 493707013 /nfs/dbraw/zinc/70/70/13/493707013.db2.gz WCNSKQCLLXDKGG-ZACQAIPSSA-N 3 2 357.543 0.667 10 0 FCAELP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000680361021 493714737 /nfs/dbraw/zinc/71/47/37/493714737.db2.gz JWDKFCYEOOYMNM-MRXNPFEDSA-N 2 2 350.507 0.873 10 0 FCAELP CO[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCOC1 ZINC000665477851 493717403 /nfs/dbraw/zinc/71/74/03/493717403.db2.gz QSSPPALHVNFMFM-RYQLBKOJSA-N 2 2 368.522 0.848 10 0 FCAELP CO[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCOC1 ZINC000665477851 493717405 /nfs/dbraw/zinc/71/74/05/493717405.db2.gz QSSPPALHVNFMFM-RYQLBKOJSA-N 2 2 368.522 0.848 10 0 FCAELP C[C@@H]1COCC[NH+]1CCNc1nccnc1NCC[N@H+]1CCOC[C@H]1C ZINC000680955978 493739382 /nfs/dbraw/zinc/73/93/82/493739382.db2.gz WADUPPZHYIASNB-HZPDHXFCSA-N 2 2 364.494 0.742 10 0 FCAELP C[C@@H]1COCC[NH+]1CCNc1nccnc1NCC[N@@H+]1CCOC[C@H]1C ZINC000680955978 493739384 /nfs/dbraw/zinc/73/93/84/493739384.db2.gz WADUPPZHYIASNB-HZPDHXFCSA-N 2 2 364.494 0.742 10 0 FCAELP Cc1noc(CCNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000681214148 493751495 /nfs/dbraw/zinc/75/14/95/493751495.db2.gz DKKJTPLXQSQWTP-OAHLLOKOSA-N 2 2 350.467 0.730 10 0 FCAELP Cc1noc(CCNC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000681214148 493751496 /nfs/dbraw/zinc/75/14/96/493751496.db2.gz DKKJTPLXQSQWTP-OAHLLOKOSA-N 2 2 350.467 0.730 10 0 FCAELP CN(C(=O)NC1CCC(C(N)=O)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681217958 493751853 /nfs/dbraw/zinc/75/18/53/493751853.db2.gz SRFQAHCKYMWIGD-VMBOVVBDSA-N 2 2 365.522 0.840 10 0 FCAELP CN(C(=O)NC1CCC(C(N)=O)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681217958 493751855 /nfs/dbraw/zinc/75/18/55/493751855.db2.gz SRFQAHCKYMWIGD-VMBOVVBDSA-N 2 2 365.522 0.840 10 0 FCAELP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419456319 534909529 /nfs/dbraw/zinc/90/95/29/534909529.db2.gz SIUHSIKYYGROMD-OLZOCXBDSA-N 2 2 351.451 0.385 10 0 FCAELP CC[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CC[N@@H+]1C[C@H](C)O ZINC000247156889 529266373 /nfs/dbraw/zinc/26/63/73/529266373.db2.gz UOOWFSLBAARXDM-KSSFIOAISA-N 2 2 374.485 0.874 10 0 FCAELP CC[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CC[N@H+]1C[C@H](C)O ZINC000247156889 529266377 /nfs/dbraw/zinc/26/63/77/529266377.db2.gz UOOWFSLBAARXDM-KSSFIOAISA-N 2 2 374.485 0.874 10 0 FCAELP CC[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC[NH+]1C[C@H](C)O ZINC000247156889 529266378 /nfs/dbraw/zinc/26/63/78/529266378.db2.gz UOOWFSLBAARXDM-KSSFIOAISA-N 2 2 374.485 0.874 10 0 FCAELP CC[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC[NH+]1C[C@H](C)O ZINC000247156889 529266382 /nfs/dbraw/zinc/26/63/82/529266382.db2.gz UOOWFSLBAARXDM-KSSFIOAISA-N 2 2 374.485 0.874 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@H](C)[NH+](CCO)C[C@H]2C)C1 ZINC000419409037 535120517 /nfs/dbraw/zinc/12/05/17/535120517.db2.gz YNAQTXOTSLAARK-GVDBMIGSSA-N 2 2 356.511 0.440 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2C[C@H](C)[NH+](CCO)C[C@H]2C)C1 ZINC000419409037 535120525 /nfs/dbraw/zinc/12/05/25/535120525.db2.gz YNAQTXOTSLAARK-GVDBMIGSSA-N 2 2 356.511 0.440 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)C1 ZINC000419409037 535120529 /nfs/dbraw/zinc/12/05/29/535120529.db2.gz YNAQTXOTSLAARK-GVDBMIGSSA-N 2 2 356.511 0.440 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)C1 ZINC000419409037 535120532 /nfs/dbraw/zinc/12/05/32/535120532.db2.gz YNAQTXOTSLAARK-GVDBMIGSSA-N 2 2 356.511 0.440 10 0 FCAELP CCCN(C(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423662108 535188075 /nfs/dbraw/zinc/18/80/75/535188075.db2.gz MPPPHPOTTKOBBU-OAHLLOKOSA-N 2 2 360.462 0.034 10 0 FCAELP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)NCC[NH3+] ZINC000419817412 535913277 /nfs/dbraw/zinc/91/32/77/535913277.db2.gz LUSOUIMKGQIQMV-YOEHRIQHSA-N 2 2 361.490 0.524 10 0 FCAELP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)NCC[NH3+] ZINC000419817412 535913281 /nfs/dbraw/zinc/91/32/81/535913281.db2.gz LUSOUIMKGQIQMV-YOEHRIQHSA-N 2 2 361.490 0.524 10 0 FCAELP C[NH+]1CCN(S(=O)(=O)c2ccccc2C[NH2+][C@H]2CCCOC2)CC1 ZINC000127805993 546563992 /nfs/dbraw/zinc/56/39/92/546563992.db2.gz OZUPDSKRKWQESA-INIZCTEOSA-N 2 2 353.488 0.891 10 0 FCAELP CC[C@@H](C)[C@H](NC(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1)C(=O)OC ZINC000592184053 546618006 /nfs/dbraw/zinc/61/80/06/546618006.db2.gz YAEBVVSIXBRLLA-ZBFHGGJFSA-N 2 2 355.479 0.487 10 0 FCAELP CC[C@@H](C)[C@H](NC(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1)C(=O)OC ZINC000592184053 546618011 /nfs/dbraw/zinc/61/80/11/546618011.db2.gz YAEBVVSIXBRLLA-ZBFHGGJFSA-N 2 2 355.479 0.487 10 0 FCAELP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000550837196 547110137 /nfs/dbraw/zinc/11/01/37/547110137.db2.gz YENIEMFSBCSSPD-KRWDZBQOSA-N 2 2 367.519 0.709 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000551034094 547120755 /nfs/dbraw/zinc/12/07/55/547120755.db2.gz JWAKMIWZSZYQGN-OAGGEKHMSA-N 2 2 354.495 0.202 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000551034094 547120760 /nfs/dbraw/zinc/12/07/60/547120760.db2.gz JWAKMIWZSZYQGN-OAGGEKHMSA-N 2 2 354.495 0.202 10 0 FCAELP C[NH+]1CCN(C(=O)CC2CC[NH+](CCCCS(C)(=O)=O)CC2)CC1 ZINC000163124125 547392530 /nfs/dbraw/zinc/39/25/30/547392530.db2.gz RBYDPVVOJQIHCJ-UHFFFAOYSA-N 2 2 359.536 0.687 10 0 FCAELP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@](CO)(C(F)(F)F)C3)cn2)CC1 ZINC000895838014 665060968 /nfs/dbraw/zinc/06/09/68/665060968.db2.gz ZGNYTKOZOQBCHU-OAHLLOKOSA-N 2 2 359.396 0.975 10 0 FCAELP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@](CO)(C(F)(F)F)C3)cn2)CC1 ZINC000895838014 665060973 /nfs/dbraw/zinc/06/09/73/665060973.db2.gz ZGNYTKOZOQBCHU-OAHLLOKOSA-N 2 2 359.396 0.975 10 0 FCAELP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895847814 665061520 /nfs/dbraw/zinc/06/15/20/665061520.db2.gz HWLIOUJPDKSQBP-RDJZCZTQSA-N 2 2 355.504 0.031 10 0 FCAELP CN(C(=O)C1C[NH+]([C@H]2CCOC2)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000896990077 665139636 /nfs/dbraw/zinc/13/96/36/665139636.db2.gz ZLJPTVQRELOUTG-MSOLQXFVSA-N 3 2 350.507 0.334 10 0 FCAELP CN(C(=O)C1C[NH+]([C@H]2CCOC2)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000896990077 665139637 /nfs/dbraw/zinc/13/96/37/665139637.db2.gz ZLJPTVQRELOUTG-MSOLQXFVSA-N 3 2 350.507 0.334 10 0 FCAELP CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000925168342 665176965 /nfs/dbraw/zinc/17/69/65/665176965.db2.gz GQNNZWZPGAVXIO-OWCLPIDISA-N 2 2 356.536 0.976 10 0 FCAELP CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000925168342 665176966 /nfs/dbraw/zinc/17/69/66/665176966.db2.gz GQNNZWZPGAVXIO-OWCLPIDISA-N 2 2 356.536 0.976 10 0 FCAELP CC[C@@H]1COCC[NH+]1CCNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925168342 665176967 /nfs/dbraw/zinc/17/69/67/665176967.db2.gz GQNNZWZPGAVXIO-OWCLPIDISA-N 2 2 356.536 0.976 10 0 FCAELP CC[C@@H]1COCC[NH+]1CCNC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000925168342 665176968 /nfs/dbraw/zinc/17/69/68/665176968.db2.gz GQNNZWZPGAVXIO-OWCLPIDISA-N 2 2 356.536 0.976 10 0 FCAELP S=C(NCCC[NH+]1CCOCC1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000905632116 666032219 /nfs/dbraw/zinc/03/22/19/666032219.db2.gz OEDBZWJOXMINKC-GJZGRUSLSA-N 2 2 358.577 0.753 10 0 FCAELP S=C(NCCC[NH+]1CCOCC1)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000905632116 666032221 /nfs/dbraw/zinc/03/22/21/666032221.db2.gz OEDBZWJOXMINKC-GJZGRUSLSA-N 2 2 358.577 0.753 10 0 FCAELP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC(C[NH+]3CCOCC3)C2)C1 ZINC000908334111 666201280 /nfs/dbraw/zinc/20/12/80/666201280.db2.gz IAMUFHKRCDOSFJ-MRXNPFEDSA-N 2 2 353.463 0.052 10 0 FCAELP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC(C[NH+]3CCOCC3)C2)C1 ZINC000908334111 666201282 /nfs/dbraw/zinc/20/12/82/666201282.db2.gz IAMUFHKRCDOSFJ-MRXNPFEDSA-N 2 2 353.463 0.052 10 0 FCAELP CN(C)CC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000914017348 666683452 /nfs/dbraw/zinc/68/34/52/666683452.db2.gz XKGWYCGZTMSTAT-IRXDYDNUSA-N 2 2 369.579 0.891 10 0 FCAELP CN(C)CC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000914017348 666683455 /nfs/dbraw/zinc/68/34/55/666683455.db2.gz XKGWYCGZTMSTAT-IRXDYDNUSA-N 2 2 369.579 0.891 10 0 FCAELP [NH3+][C@@]1(CO)CCCN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000923478170 667839195 /nfs/dbraw/zinc/83/91/95/667839195.db2.gz NVBUMHPSDPXCRT-KRWDZBQOSA-N 2 2 352.504 0.178 10 0 FCAELP CC(C)NC(=O)CNC(=S)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000741874072 668024357 /nfs/dbraw/zinc/02/43/57/668024357.db2.gz ODWYQFCAACVKQC-UHFFFAOYSA-N 2 2 369.579 0.925 10 0 FCAELP C[NH+]1CCC(CN2C(=O)[C@@H]3COCCN3C2=O)([NH+]2CCCCC2)CC1 ZINC000777664689 668335098 /nfs/dbraw/zinc/33/50/98/668335098.db2.gz ZZJNFZRPSXNUBM-HNNXBMFYSA-N 2 2 350.463 0.600 10 0 FCAELP CN(C[C@H](O)C[NH+]1CCC([N@H+](C)CCCO)CC1)C(=O)OC(C)(C)C ZINC000822620816 669281468 /nfs/dbraw/zinc/28/14/68/669281468.db2.gz BURCEPHWXVUQNP-INIZCTEOSA-N 2 2 359.511 0.993 10 0 FCAELP CN(C[C@H](O)C[NH+]1CCC([N@@H+](C)CCCO)CC1)C(=O)OC(C)(C)C ZINC000822620816 669281473 /nfs/dbraw/zinc/28/14/73/669281473.db2.gz BURCEPHWXVUQNP-INIZCTEOSA-N 2 2 359.511 0.993 10 0 FCAELP CCc1cc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)nn1C ZINC000850572524 671387462 /nfs/dbraw/zinc/38/74/62/671387462.db2.gz LGTUDLHUKYOROZ-ZDUSSCGKSA-N 2 2 352.483 0.309 10 0 FCAELP CCc1cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)nn1C ZINC000850572524 671387465 /nfs/dbraw/zinc/38/74/65/671387465.db2.gz LGTUDLHUKYOROZ-ZDUSSCGKSA-N 2 2 352.483 0.309 10 0 FCAELP C[C@@]12COC[C@H]1C[NH+](CCS(=O)(=O)CC[N@H+]1C[C@H]3COC[C@]3(C)C1)C2 ZINC000852535050 671512501 /nfs/dbraw/zinc/51/25/01/671512501.db2.gz UKQUPKVIGMDBPB-USTZCAOPSA-N 2 2 372.531 0.338 10 0 FCAELP C[C@@]12COC[C@H]1C[NH+](CCS(=O)(=O)CC[N@@H+]1C[C@H]3COC[C@]3(C)C1)C2 ZINC000852535050 671512504 /nfs/dbraw/zinc/51/25/04/671512504.db2.gz UKQUPKVIGMDBPB-USTZCAOPSA-N 2 2 372.531 0.338 10 0 FCAELP C[C@@]12COC[C@H]1C[N@@H+](CCS(=O)(=O)CC[NH+]1C[C@H]3COC[C@]3(C)C1)C2 ZINC000852535050 671512506 /nfs/dbraw/zinc/51/25/06/671512506.db2.gz UKQUPKVIGMDBPB-USTZCAOPSA-N 2 2 372.531 0.338 10 0 FCAELP C[C@@]12COC[C@H]1C[N@H+](CCS(=O)(=O)CC[NH+]1C[C@H]3COC[C@]3(C)C1)C2 ZINC000852535050 671512509 /nfs/dbraw/zinc/51/25/09/671512509.db2.gz UKQUPKVIGMDBPB-USTZCAOPSA-N 2 2 372.531 0.338 10 0 FCAELP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000852750183 671523277 /nfs/dbraw/zinc/52/32/77/671523277.db2.gz MXEAQKUQEQRTJS-MAUKXSAKSA-N 2 2 352.479 0.751 10 0 FCAELP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000852750183 671523279 /nfs/dbraw/zinc/52/32/79/671523279.db2.gz MXEAQKUQEQRTJS-MAUKXSAKSA-N 2 2 352.479 0.751 10 0 FCAELP Cc1cc([C@@H]([NH3+])CC(=O)NC[C@H]2CN3CC[N@@H+]2CCC3)cc(Cl)n1 ZINC000852914269 671531727 /nfs/dbraw/zinc/53/17/27/671531727.db2.gz RIYROAUACAWPNF-GJZGRUSLSA-N 2 2 351.882 0.939 10 0 FCAELP Cc1cc([C@@H]([NH3+])CC(=O)NC[C@H]2CN3CC[N@H+]2CCC3)cc(Cl)n1 ZINC000852914269 671531729 /nfs/dbraw/zinc/53/17/29/671531729.db2.gz RIYROAUACAWPNF-GJZGRUSLSA-N 2 2 351.882 0.939 10 0 FCAELP CCOC(=O)N1CCC(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1 ZINC000853196475 671539886 /nfs/dbraw/zinc/53/98/86/671539886.db2.gz XTGKXRAGYWWNJO-UHFFFAOYSA-N 2 2 357.499 0.790 10 0 FCAELP CCOC(=O)N1CCC(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000853196475 671539888 /nfs/dbraw/zinc/53/98/88/671539888.db2.gz XTGKXRAGYWWNJO-UHFFFAOYSA-N 2 2 357.499 0.790 10 0 FCAELP Cc1cnc(N)c(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1 ZINC000903562177 675944984 /nfs/dbraw/zinc/94/49/84/675944984.db2.gz GAVAKBJFVFVCCF-GASCZTMLSA-N 2 2 365.503 0.562 10 0 FCAELP Cc1cnc(N)c(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1 ZINC000903562177 675944985 /nfs/dbraw/zinc/94/49/85/675944985.db2.gz GAVAKBJFVFVCCF-GASCZTMLSA-N 2 2 365.503 0.562 10 0 FCAELP CO[C@@H]1CN2C(=O)N([C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C(=O)[C@]2(C)C1 ZINC000865304062 672237594 /nfs/dbraw/zinc/23/75/94/672237594.db2.gz RBEBNFIJMYKADG-MPGHIAIKSA-N 2 2 350.463 0.597 10 0 FCAELP CO[C@@H]1CN2C(=O)N([C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C(=O)[C@]2(C)C1 ZINC000865304062 672237598 /nfs/dbraw/zinc/23/75/98/672237598.db2.gz RBEBNFIJMYKADG-MPGHIAIKSA-N 2 2 350.463 0.597 10 0 FCAELP C[C@@H]1C[N@H+](CCOC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)CCO1 ZINC000869831850 672453161 /nfs/dbraw/zinc/45/31/61/672453161.db2.gz FNUAFLKXMRDILR-KGLIPLIRSA-N 2 2 359.467 0.705 10 0 FCAELP C[C@@H]1C[N@@H+](CCOC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)CCO1 ZINC000869831850 672453165 /nfs/dbraw/zinc/45/31/65/672453165.db2.gz FNUAFLKXMRDILR-KGLIPLIRSA-N 2 2 359.467 0.705 10 0 FCAELP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872192077 672600211 /nfs/dbraw/zinc/60/02/11/672600211.db2.gz RQJYMDNDORIAGL-NWDGAFQWSA-N 2 2 361.368 0.327 10 0 FCAELP CC(C)(C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925175785 673782238 /nfs/dbraw/zinc/78/22/38/673782238.db2.gz YJKGFARDYYWPSO-CABCVRRESA-N 2 2 356.536 0.976 10 0 FCAELP CC(C)(C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000925175785 673782239 /nfs/dbraw/zinc/78/22/39/673782239.db2.gz YJKGFARDYYWPSO-CABCVRRESA-N 2 2 356.536 0.976 10 0 FCAELP C[NH+](C)C[C@@H]1NC(=O)N(CC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1=O ZINC000925327653 673787320 /nfs/dbraw/zinc/78/73/20/673787320.db2.gz 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C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)C[C@H](C)O1 ZINC000867488343 1210008703 /nfs/dbraw/zinc/00/87/03/1210008703.db2.gz IEARKCDSICEMGO-YYIAUSFCSA-N 2 2 366.506 0.107 10 0 FCAELP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)C[C@H](C)O1 ZINC000867488343 1210008705 /nfs/dbraw/zinc/00/87/05/1210008705.db2.gz IEARKCDSICEMGO-YYIAUSFCSA-N 2 2 366.506 0.107 10 0 FCAELP COC[C@@]1(C(=O)NC[C@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)CC[NH2+]C1 ZINC000867998458 1210038185 /nfs/dbraw/zinc/03/81/85/1210038185.db2.gz WLCNXLVUGOCEOI-AZUAARDMSA-N 2 2 361.486 0.938 10 0 FCAELP COC[C@@]1(C(=O)NC[C@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)CC[NH2+]C1 ZINC000867998458 1210038191 /nfs/dbraw/zinc/03/81/91/1210038191.db2.gz WLCNXLVUGOCEOI-AZUAARDMSA-N 2 2 361.486 0.938 10 0 FCAELP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)C1 ZINC000868383652 1210057811 /nfs/dbraw/zinc/05/78/11/1210057811.db2.gz XCPISZPLEGSPHG-KUHUBIRLSA-N 2 2 361.490 0.960 10 0 FCAELP CC[NH+]1CCN(CC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3C)CCO2)CC1 ZINC000871285898 1210140045 /nfs/dbraw/zinc/14/00/45/1210140045.db2.gz WLXCEZKRUBXJPB-HXUWFJFHSA-N 2 2 374.529 0.950 10 0 FCAELP CC[NH+]1CCN(CC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3C)CCO2)CC1 ZINC000871285898 1210140053 /nfs/dbraw/zinc/14/00/53/1210140053.db2.gz WLXCEZKRUBXJPB-HXUWFJFHSA-N 2 2 374.529 0.950 10 0 FCAELP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC000871469043 1210157091 /nfs/dbraw/zinc/15/70/91/1210157091.db2.gz RYBGFWCJLFZWCS-INIZCTEOSA-N 2 2 358.446 0.894 10 0 FCAELP C[C@@]12C[NH+]([C@H]3CC(=O)N(CCCO)C3=O)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000871602382 1210168757 /nfs/dbraw/zinc/16/87/57/1210168757.db2.gz RUFWPFGKGSIWPD-BBTUJRGHSA-N 2 2 371.481 0.950 10 0 FCAELP C[C@@]12C[NH+]([C@H]3CC(=O)N(CCCO)C3=O)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000871602382 1210168763 /nfs/dbraw/zinc/16/87/63/1210168763.db2.gz RUFWPFGKGSIWPD-BBTUJRGHSA-N 2 2 371.481 0.950 10 0 FCAELP C[C@]12C[NH+](Cc3ccccc3)C[C@H]1C[N@@H+]([C@H]1CC(=O)N(CCCO)C1=O)C2 ZINC000871602382 1210168766 /nfs/dbraw/zinc/16/87/66/1210168766.db2.gz RUFWPFGKGSIWPD-BBTUJRGHSA-N 2 2 371.481 0.950 10 0 FCAELP C[C@]12C[NH+](Cc3ccccc3)C[C@H]1C[N@H+]([C@H]1CC(=O)N(CCCO)C1=O)C2 ZINC000871602382 1210168776 /nfs/dbraw/zinc/16/87/76/1210168776.db2.gz RUFWPFGKGSIWPD-BBTUJRGHSA-N 2 2 371.481 0.950 10 0 FCAELP COC(=O)[C@@H]1CO[C@H](CCC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000874462289 1210315020 /nfs/dbraw/zinc/31/50/20/1210315020.db2.gz JYCUDHAVNRJQPQ-ZMSDIMECSA-N 2 2 367.490 0.629 10 0 FCAELP COC(=O)[C@@H]1CO[C@H](CCC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000874462289 1210315023 /nfs/dbraw/zinc/31/50/23/1210315023.db2.gz JYCUDHAVNRJQPQ-ZMSDIMECSA-N 2 2 367.490 0.629 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC000923895691 1211457334 /nfs/dbraw/zinc/45/73/34/1211457334.db2.gz ZUVWFYFVLQMUDX-IRXDYDNUSA-N 2 2 369.506 0.875 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC000923895691 1211457337 /nfs/dbraw/zinc/45/73/37/1211457337.db2.gz ZUVWFYFVLQMUDX-IRXDYDNUSA-N 2 2 369.506 0.875 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)COC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000923895691 1211457342 /nfs/dbraw/zinc/45/73/42/1211457342.db2.gz ZUVWFYFVLQMUDX-IRXDYDNUSA-N 2 2 369.506 0.875 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)COC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000923895691 1211457344 /nfs/dbraw/zinc/45/73/44/1211457344.db2.gz ZUVWFYFVLQMUDX-IRXDYDNUSA-N 2 2 369.506 0.875 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](N3C(=O)N[C@@H](CC4CCOCC4)C3=O)C2)CC1 ZINC000924633715 1211475507 /nfs/dbraw/zinc/47/55/07/1211475507.db2.gz KAEIZRRYADCMPA-SJORKVTESA-N 2 2 364.490 0.892 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](N3C(=O)N[C@@H](CC4CCOCC4)C3=O)C2)CC1 ZINC000924633715 1211475511 /nfs/dbraw/zinc/47/55/11/1211475511.db2.gz KAEIZRRYADCMPA-SJORKVTESA-N 2 2 364.490 0.892 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)CC[C@@H]1C[NH3+] ZINC000926287336 1211526511 /nfs/dbraw/zinc/52/65/11/1211526511.db2.gz IWGAIXUWLKCFMJ-NXHRZFHOSA-N 2 2 358.486 0.945 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)CC[C@@H]1C[NH3+] ZINC000926287336 1211526517 /nfs/dbraw/zinc/52/65/17/1211526517.db2.gz IWGAIXUWLKCFMJ-NXHRZFHOSA-N 2 2 358.486 0.945 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC[N@@H+]1Cc1ccccc1 ZINC000926377749 1211542406 /nfs/dbraw/zinc/54/24/06/1211542406.db2.gz LAOOBMSJFDMICS-OXQOHEQNSA-N 2 2 374.485 0.032 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC[N@H+]1Cc1ccccc1 ZINC000926377749 1211542410 /nfs/dbraw/zinc/54/24/10/1211542410.db2.gz LAOOBMSJFDMICS-OXQOHEQNSA-N 2 2 374.485 0.032 10 0 FCAELP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000927819448 1211583387 /nfs/dbraw/zinc/58/33/87/1211583387.db2.gz KGNRQGDAFASNPM-AWEZNQCLSA-N 2 2 357.414 0.548 10 0 FCAELP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000927845209 1211585106 /nfs/dbraw/zinc/58/51/06/1211585106.db2.gz KPMUEIXTWNZCKQ-OAHLLOKOSA-N 2 2 370.494 0.422 10 0 FCAELP C[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000927845209 1211585107 /nfs/dbraw/zinc/58/51/07/1211585107.db2.gz KPMUEIXTWNZCKQ-OAHLLOKOSA-N 2 2 370.494 0.422 10 0 FCAELP C[NH+]1CCC2(CCN2C(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000929300007 1211628554 /nfs/dbraw/zinc/62/85/54/1211628554.db2.gz DRFXXTGUVQZWTC-UHFFFAOYSA-N 2 2 371.485 0.995 10 0 FCAELP Cc1ccc(NCCNC(=O)C(=O)NCCCC[NH+]2CCOCC2)[nH+]c1 ZINC000929427340 1211637998 /nfs/dbraw/zinc/63/79/98/1211637998.db2.gz IMUWRWJKCWSWMX-UHFFFAOYSA-N 2 2 363.462 0.147 10 0 FCAELP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC(=O)Nc3cccnn3)CC2)CC1 ZINC000929610187 1211650312 /nfs/dbraw/zinc/65/03/12/1211650312.db2.gz PSGIDLLVNLTOFF-UHFFFAOYSA-N 2 2 374.489 0.681 10 0 FCAELP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@@H](C)O1 ZINC000929630121 1211651775 /nfs/dbraw/zinc/65/17/75/1211651775.db2.gz BKLHPZZXUYRPNG-TVFCKZIOSA-N 2 2 369.506 0.482 10 0 FCAELP Cc1ccccc1C[NH+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000931131685 1211741543 /nfs/dbraw/zinc/74/15/43/1211741543.db2.gz LJVRNNKTIAILPZ-MSOLQXFVSA-N 2 2 374.485 0.132 10 0 FCAELP Cc1ccccc1C[NH+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000931131685 1211741545 /nfs/dbraw/zinc/74/15/45/1211741545.db2.gz LJVRNNKTIAILPZ-MSOLQXFVSA-N 2 2 374.485 0.132 10 0 FCAELP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000931131685 1211741548 /nfs/dbraw/zinc/74/15/48/1211741548.db2.gz LJVRNNKTIAILPZ-MSOLQXFVSA-N 2 2 374.485 0.132 10 0 FCAELP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000931131685 1211741551 /nfs/dbraw/zinc/74/15/51/1211741551.db2.gz LJVRNNKTIAILPZ-MSOLQXFVSA-N 2 2 374.485 0.132 10 0 FCAELP Cn1cnc2c1c(=O)n(CCC[NH+]1CCC(C)([NH+](C)C)CC1)c(=O)n2C ZINC000931351172 1211751891 /nfs/dbraw/zinc/75/18/91/1211751891.db2.gz GHGXBORYRGVWGW-UHFFFAOYSA-N 2 2 362.478 0.240 10 0 FCAELP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000638051278 1213048399 /nfs/dbraw/zinc/04/83/99/1213048399.db2.gz DSVUWSMFPNTUFY-RBUKOAKNSA-N 2 2 360.502 0.769 10 0 FCAELP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000638051278 1213048402 /nfs/dbraw/zinc/04/84/02/1213048402.db2.gz DSVUWSMFPNTUFY-RBUKOAKNSA-N 2 2 360.502 0.769 10 0 FCAELP C/C(=C\C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)C[NH+]1CCOCC1 ZINC000900480092 1217995311 /nfs/dbraw/zinc/99/53/11/1217995311.db2.gz AGABDJAXMNLWME-DTQAZKPQSA-N 2 2 369.506 0.997 10 0 FCAELP C[C@H](NC(=O)c1cccc(N2CC[NH+](C)CC2)n1)[C@@H]1C[N@H+](C)CCN1C ZINC000900812064 1218040005 /nfs/dbraw/zinc/04/00/05/1218040005.db2.gz RAESWJAATAOGBF-RDJZCZTQSA-N 2 2 360.506 0.198 10 0 FCAELP C[C@H](NC(=O)c1cccc(N2CC[NH+](C)CC2)n1)[C@@H]1C[N@@H+](C)CCN1C ZINC000900812064 1218040008 /nfs/dbraw/zinc/04/00/08/1218040008.db2.gz RAESWJAATAOGBF-RDJZCZTQSA-N 2 2 360.506 0.198 10 0 FCAELP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)CC[C@H]1C(F)(F)F ZINC000903732638 1218509947 /nfs/dbraw/zinc/50/99/47/1218509947.db2.gz UHRQJTDAXADDSX-CHWSQXEVSA-N 2 2 373.379 0.785 10 0 FCAELP [NH3+][C@H]1CN(C(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC[C@@H]1C(F)(F)F ZINC000903741000 1218512230 /nfs/dbraw/zinc/51/22/30/1218512230.db2.gz ARXHSMWOGDSKPO-RYUDHWBXSA-N 2 2 373.379 0.854 10 0 FCAELP [NH3+][C@H]1CN(C(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC[C@@H]1C(F)(F)F ZINC000903741000 1218512242 /nfs/dbraw/zinc/51/22/42/1218512242.db2.gz ARXHSMWOGDSKPO-RYUDHWBXSA-N 2 2 373.379 0.854 10 0 FCAELP C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C[C@H]1n1cc[nH+]c1 ZINC000903760923 1218519266 /nfs/dbraw/zinc/51/92/66/1218519266.db2.gz XKPXZJDKYABXJL-FDYHWXHSSA-N 2 2 373.379 0.641 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC[C@@H]2C2OCCO2)C1 ZINC000726882717 1219658661 /nfs/dbraw/zinc/65/86/61/1219658661.db2.gz QYDGMFNJJYMUMQ-DLBZAZTESA-N 2 2 369.506 0.687 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC[C@@H]2C2OCCO2)C1 ZINC000726882717 1219658662 /nfs/dbraw/zinc/65/86/62/1219658662.db2.gz QYDGMFNJJYMUMQ-DLBZAZTESA-N 2 2 369.506 0.687 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCCC[C@@H]2C2OCCO2)C1 ZINC000726882717 1219658666 /nfs/dbraw/zinc/65/86/66/1219658666.db2.gz QYDGMFNJJYMUMQ-DLBZAZTESA-N 2 2 369.506 0.687 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCCC[C@@H]2C2OCCO2)C1 ZINC000726882717 1219658668 /nfs/dbraw/zinc/65/86/68/1219658668.db2.gz QYDGMFNJJYMUMQ-DLBZAZTESA-N 2 2 369.506 0.687 10 0 FCAELP C[N@H+](C[C@@H](O)C1(O)CCOCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001119749204 1221963384 /nfs/dbraw/zinc/96/33/84/1221963384.db2.gz MTEJQIQGYRUREU-MOPGFXCFSA-N 2 2 364.486 0.458 10 0 FCAELP C[N@@H+](C[C@@H](O)C1(O)CCOCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001119749204 1221963390 /nfs/dbraw/zinc/96/33/90/1221963390.db2.gz MTEJQIQGYRUREU-MOPGFXCFSA-N 2 2 364.486 0.458 10 0 FCAELP C[NH+](C[C@@H](O)C1(O)CCOCC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001119749204 1221963394 /nfs/dbraw/zinc/96/33/94/1221963394.db2.gz MTEJQIQGYRUREU-MOPGFXCFSA-N 2 2 364.486 0.458 10 0 FCAELP C[NH+](C[C@@H](O)C1(O)CCOCC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001119749204 1221963400 /nfs/dbraw/zinc/96/34/00/1221963400.db2.gz MTEJQIQGYRUREU-MOPGFXCFSA-N 2 2 364.486 0.458 10 0 FCAELP C[C@H](CNC(=O)[C@@]1([NH+](C)C)COc2ccccc2C1)C[NH+]1CCN(C)CC1 ZINC001123658709 1222348068 /nfs/dbraw/zinc/34/80/68/1222348068.db2.gz TYVMOHURMUSZIX-UTKZUKDTSA-N 2 2 374.529 0.922 10 0 FCAELP C[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)CC2)C1 ZINC001123934998 1222367808 /nfs/dbraw/zinc/36/78/08/1222367808.db2.gz LKQHFJUISAEBPN-IBGZPJMESA-N 2 2 358.486 0.346 10 0 FCAELP C[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)CC2)C1 ZINC001123934998 1222367812 /nfs/dbraw/zinc/36/78/12/1222367812.db2.gz LKQHFJUISAEBPN-IBGZPJMESA-N 2 2 358.486 0.346 10 0 FCAELP C[NH+](C)[C@@]1(C(=O)N[C@H](CO)C[NH+]2CCCCC2)COc2ccccc2C1 ZINC001140509202 1222597129 /nfs/dbraw/zinc/59/71/29/1222597129.db2.gz BAZCAFAJHMSLIN-FXAWDEMLSA-N 2 2 361.486 0.885 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H]3CN(C4CC4)C(=O)O3)C2)CC1 ZINC000847319342 1245334804 /nfs/dbraw/zinc/33/48/04/1245334804.db2.gz PLHVLNLVGWWKSA-BBRMVZONSA-N 2 2 365.478 0.437 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H]3CN(C4CC4)C(=O)O3)C2)CC1 ZINC000847319342 1245334807 /nfs/dbraw/zinc/33/48/07/1245334807.db2.gz PLHVLNLVGWWKSA-BBRMVZONSA-N 2 2 365.478 0.437 10 0 FCAELP Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCC(C)(C)[NH+]2CCOCC2)cn1 ZINC000849482629 1245396903 /nfs/dbraw/zinc/39/69/03/1245396903.db2.gz SALJVTOAJQBYHJ-IAGOWNOFSA-N 2 2 363.506 0.682 10 0 FCAELP Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)NCC(C)(C)[NH+]2CCOCC2)cn1 ZINC000849482629 1245396909 /nfs/dbraw/zinc/39/69/09/1245396909.db2.gz SALJVTOAJQBYHJ-IAGOWNOFSA-N 2 2 363.506 0.682 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849587899 1245405166 /nfs/dbraw/zinc/40/51/66/1245405166.db2.gz JKWNTIFZBCXXMM-NJAFHUGGSA-N 2 2 363.506 0.635 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849587899 1245405172 /nfs/dbraw/zinc/40/51/72/1245405172.db2.gz JKWNTIFZBCXXMM-NJAFHUGGSA-N 2 2 363.506 0.635 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849587697 1245405376 /nfs/dbraw/zinc/40/53/76/1245405376.db2.gz JKWNTIFZBCXXMM-BPQIPLTHSA-N 2 2 363.506 0.635 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849587697 1245405379 /nfs/dbraw/zinc/40/53/79/1245405379.db2.gz JKWNTIFZBCXXMM-BPQIPLTHSA-N 2 2 363.506 0.635 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)NCCCn2cc[nH+]c2)CCN1c1cc[nH+]cc1 ZINC000897318884 1245470211 /nfs/dbraw/zinc/47/02/11/1245470211.db2.gz RFTVWNXZQZDLLP-HNNXBMFYSA-N 2 2 356.430 0.522 10 0 FCAELP Cc1ccccc1OC[C@H](O)C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000923398938 1245714785 /nfs/dbraw/zinc/71/47/85/1245714785.db2.gz OULNGRVTAPZCOI-QGZVFWFLSA-N 2 2 362.474 0.378 10 0 FCAELP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001515138694 1265442449 /nfs/dbraw/zinc/44/24/49/1265442449.db2.gz BWAJCKGRGMBAQZ-IMJJTQAJSA-N 2 2 359.474 0.695 10 0 FCAELP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001515238538 1265474861 /nfs/dbraw/zinc/47/48/61/1265474861.db2.gz JMFSGZYOVWGFDX-FVQBIDKESA-N 2 2 363.462 0.026 10 0 FCAELP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001515238538 1265474863 /nfs/dbraw/zinc/47/48/63/1265474863.db2.gz JMFSGZYOVWGFDX-FVQBIDKESA-N 2 2 363.462 0.026 10 0 FCAELP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[NH+]32)C1 ZINC001519250995 1265710422 /nfs/dbraw/zinc/71/04/22/1265710422.db2.gz QMDPHSDTWOVLGU-XKGZKEIXSA-N 2 2 374.485 0.698 10 0 FCAELP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[NH+]32)C1 ZINC001519250995 1265710427 /nfs/dbraw/zinc/71/04/27/1265710427.db2.gz QMDPHSDTWOVLGU-XKGZKEIXSA-N 2 2 374.485 0.698 10 0 FCAELP C[NH+]1Cc2ccccc2[C@@H](NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)C1 ZINC001519250995 1265710436 /nfs/dbraw/zinc/71/04/36/1265710436.db2.gz QMDPHSDTWOVLGU-XKGZKEIXSA-N 2 2 374.485 0.698 10 0 FCAELP C[NH+]1Cc2ccccc2[C@@H](NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)C1 ZINC001519250995 1265710441 /nfs/dbraw/zinc/71/04/41/1265710441.db2.gz QMDPHSDTWOVLGU-XKGZKEIXSA-N 2 2 374.485 0.698 10 0 FCAELP CCC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001520249398 1265887611 /nfs/dbraw/zinc/88/76/11/1265887611.db2.gz URCZHVYMRIJDQP-SJORKVTESA-N 2 2 361.490 0.922 10 0 FCAELP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001520249398 1265887617 /nfs/dbraw/zinc/88/76/17/1265887617.db2.gz URCZHVYMRIJDQP-SJORKVTESA-N 2 2 361.490 0.922 10 0 FCAELP FCCCN1CC[NH+](CC2(CN3CC[NH+](CCCF)CC3)COC2)CC1 ZINC001329929962 1265897673 /nfs/dbraw/zinc/89/76/73/1265897673.db2.gz NOLBVRLUGKEOFC-UHFFFAOYSA-N 2 2 374.520 0.957 10 0 FCAELP FCCC[NH+]1CCN(CC2(CN3CC[NH+](CCCF)CC3)COC2)CC1 ZINC001329929962 1265897679 /nfs/dbraw/zinc/89/76/79/1265897679.db2.gz NOLBVRLUGKEOFC-UHFFFAOYSA-N 2 2 374.520 0.957 10 0 FCAELP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001329952558 1265905956 /nfs/dbraw/zinc/90/59/56/1265905956.db2.gz QHNVSNRETCSKGG-ARFHVFGLSA-N 2 2 359.474 0.554 10 0 FCAELP C[N@@H+]1C[C@H](C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)[C@@H](c2ccccc2)C1 ZINC001329990945 1265916779 /nfs/dbraw/zinc/91/67/79/1265916779.db2.gz WWMRGIPWNXQISX-ZCNNSNEGSA-N 2 2 373.497 0.891 10 0 FCAELP C[N@H+]1C[C@H](C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)[C@@H](c2ccccc2)C1 ZINC001329990945 1265916785 /nfs/dbraw/zinc/91/67/85/1265916785.db2.gz WWMRGIPWNXQISX-ZCNNSNEGSA-N 2 2 373.497 0.891 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C ZINC001520726711 1265980651 /nfs/dbraw/zinc/98/06/51/1265980651.db2.gz ZOAFOBORDPIJFH-FMKPAKJESA-N 2 2 363.462 0.026 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001520919338 1266038096 /nfs/dbraw/zinc/03/80/96/1266038096.db2.gz CXZRSFUZBWWXME-PVAVHDDUSA-N 2 2 359.474 0.721 10 0 FCAELP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001330510633 1266045838 /nfs/dbraw/zinc/04/58/38/1266045838.db2.gz UBHQHCJDPKZQTO-CVEARBPZSA-N 2 2 369.425 0.614 10 0 FCAELP C[NH+](C)CCCCC(=O)N1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001521676016 1266162058 /nfs/dbraw/zinc/16/20/58/1266162058.db2.gz VVPAOKKXUACWAF-BEFAXECRSA-N 2 2 361.490 0.991 10 0 FCAELP C[NH+]1CCN(c2cc(C[NH2+]Cc3cn(C[C@H]4CCOC4)nn3)ccn2)CC1 ZINC001335498105 1259688027 /nfs/dbraw/zinc/68/80/27/1259688027.db2.gz RTINBOXZKOOEHE-QGZVFWFLSA-N 2 2 371.489 0.751 10 0 FCAELP C[NH+]1CCN(c2cc(C[NH2+]Cc3cn(C[C@@H]4CCOC4)nn3)ccn2)CC1 ZINC001335498103 1259688143 /nfs/dbraw/zinc/68/81/43/1259688143.db2.gz RTINBOXZKOOEHE-KRWDZBQOSA-N 2 2 371.489 0.751 10 0 FCAELP CC[NH+](CC)CC(=O)NCC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001521992854 1266283312 /nfs/dbraw/zinc/28/33/12/1266283312.db2.gz JDYJYOWYOJCDNJ-HZPDHXFCSA-N 2 2 363.506 0.905 10 0 FCAELP CCOC(=O)C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC001255273349 1259908927 /nfs/dbraw/zinc/90/89/27/1259908927.db2.gz YDJBJWAHCASWHE-IRXDYDNUSA-N 2 2 369.506 0.877 10 0 FCAELP CCOC(=O)C[C@@H]1CCC[N@H+]1CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC001255273349 1259908932 /nfs/dbraw/zinc/90/89/32/1259908932.db2.gz YDJBJWAHCASWHE-IRXDYDNUSA-N 2 2 369.506 0.877 10 0 FCAELP CCOC(=O)C[C@@H]1CCC[NH+]1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001255273349 1259908935 /nfs/dbraw/zinc/90/89/35/1259908935.db2.gz YDJBJWAHCASWHE-IRXDYDNUSA-N 2 2 369.506 0.877 10 0 FCAELP CCOC(=O)C[C@@H]1CCC[NH+]1CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001255273349 1259908939 /nfs/dbraw/zinc/90/89/39/1259908939.db2.gz YDJBJWAHCASWHE-IRXDYDNUSA-N 2 2 369.506 0.877 10 0 FCAELP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC001522049640 1266322215 /nfs/dbraw/zinc/32/22/15/1266322215.db2.gz DGQJASIIFYMSNU-GPMSIDNRSA-N 2 2 359.474 0.865 10 0 FCAELP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC001522049640 1266322221 /nfs/dbraw/zinc/32/22/21/1266322221.db2.gz DGQJASIIFYMSNU-GPMSIDNRSA-N 2 2 359.474 0.865 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)c1 ZINC001262288411 1260296993 /nfs/dbraw/zinc/29/69/93/1260296993.db2.gz CYHZKVNPNQYBNM-INIZCTEOSA-N 2 2 358.446 0.283 10 0 FCAELP CCOCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1cnn(C)c1 ZINC001264504449 1260376942 /nfs/dbraw/zinc/37/69/42/1260376942.db2.gz VKPLETCEEFCHNU-DOTOQJQBSA-N 2 2 360.462 0.615 10 0 FCAELP CCN(C(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@H]1C)C1CC1 ZINC001264729212 1260405515 /nfs/dbraw/zinc/40/55/15/1260405515.db2.gz HSOQCGPSPBCGLL-PBHICJAKSA-N 2 2 361.490 0.943 10 0 FCAELP CCN(C(=O)C[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@H]1C)C1CC1 ZINC001264729212 1260405519 /nfs/dbraw/zinc/40/55/19/1260405519.db2.gz HSOQCGPSPBCGLL-PBHICJAKSA-N 2 2 361.490 0.943 10 0 FCAELP CCOCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001266000283 1260422458 /nfs/dbraw/zinc/42/24/58/1260422458.db2.gz BKEHCVCQIWDERJ-KSZLIROESA-N 2 2 369.506 0.341 10 0 FCAELP Cc1ccnc(C[NH2+][C@]2(CO)CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001281121832 1261095353 /nfs/dbraw/zinc/09/53/53/1261095353.db2.gz VKWDXOQHJVPGKV-GPMSIDNRSA-N 2 2 361.490 0.568 10 0 FCAELP Cc1ccnc(C[NH2+][C@]2(CO)CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001281121832 1261095354 /nfs/dbraw/zinc/09/53/54/1261095354.db2.gz VKWDXOQHJVPGKV-GPMSIDNRSA-N 2 2 361.490 0.568 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1noc2c1COCC2 ZINC001332446786 1266407889 /nfs/dbraw/zinc/40/78/89/1266407889.db2.gz LFPMMFUGMNARFK-UHFFFAOYSA-N 2 2 365.478 0.915 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1noc2c1COCC2 ZINC001332446786 1266407897 /nfs/dbraw/zinc/40/78/97/1266407897.db2.gz LFPMMFUGMNARFK-UHFFFAOYSA-N 2 2 365.478 0.915 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCN1C(=O)CCC[NH+](C)C ZINC001282393170 1261444616 /nfs/dbraw/zinc/44/46/16/1261444616.db2.gz SIHAMTDQMVKVBY-FPCVCCKLSA-N 2 2 361.490 0.971 10 0 FCAELP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001283611383 1261694619 /nfs/dbraw/zinc/69/46/19/1261694619.db2.gz BBMPSOFVJKORCZ-GZBFAFLISA-N 2 2 360.462 0.299 10 0 FCAELP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001283611383 1261694629 /nfs/dbraw/zinc/69/46/29/1261694629.db2.gz BBMPSOFVJKORCZ-GZBFAFLISA-N 2 2 360.462 0.299 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001345449163 1261711026 /nfs/dbraw/zinc/71/10/26/1261711026.db2.gz WEQNVAMFHKWVIZ-TUVASFSCSA-N 2 2 359.474 0.961 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001345449163 1261711034 /nfs/dbraw/zinc/71/10/34/1261711034.db2.gz WEQNVAMFHKWVIZ-TUVASFSCSA-N 2 2 359.474 0.961 10 0 FCAELP CCn1ccc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n1 ZINC001284448807 1261757714 /nfs/dbraw/zinc/75/77/14/1261757714.db2.gz UDQMIBWSJZWGPT-ARFHVFGLSA-N 2 2 360.462 0.349 10 0 FCAELP C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1O ZINC001289175572 1262138451 /nfs/dbraw/zinc/13/84/51/1262138451.db2.gz BPWYLNFTAAKHSB-IAGOWNOFSA-N 2 2 371.441 0.126 10 0 FCAELP CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001289324608 1262173589 /nfs/dbraw/zinc/17/35/89/1262173589.db2.gz NZXRCQDGSREYLM-CZUORRHYSA-N 2 2 365.478 0.653 10 0 FCAELP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001289324608 1262173590 /nfs/dbraw/zinc/17/35/90/1262173590.db2.gz NZXRCQDGSREYLM-CZUORRHYSA-N 2 2 365.478 0.653 10 0 FCAELP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001290932891 1262538208 /nfs/dbraw/zinc/53/82/08/1262538208.db2.gz IPBYZMBUMJTCEK-OWCLPIDISA-N 2 2 361.490 0.895 10 0 FCAELP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001290932891 1262538209 /nfs/dbraw/zinc/53/82/09/1262538209.db2.gz IPBYZMBUMJTCEK-OWCLPIDISA-N 2 2 361.490 0.895 10 0 FCAELP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001290932891 1262538215 /nfs/dbraw/zinc/53/82/15/1262538215.db2.gz IPBYZMBUMJTCEK-OWCLPIDISA-N 2 2 361.490 0.895 10 0 FCAELP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001290932891 1262538217 /nfs/dbraw/zinc/53/82/17/1262538217.db2.gz IPBYZMBUMJTCEK-OWCLPIDISA-N 2 2 361.490 0.895 10 0 FCAELP CC[N@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH+]ccn1C)C2 ZINC001291962065 1262620876 /nfs/dbraw/zinc/62/08/76/1262620876.db2.gz GZVDKCANNROUBF-PMPSAXMXSA-N 2 2 361.490 0.943 10 0 FCAELP CC[N@@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH+]ccn1C)C2 ZINC001291962065 1262620880 /nfs/dbraw/zinc/62/08/80/1262620880.db2.gz GZVDKCANNROUBF-PMPSAXMXSA-N 2 2 361.490 0.943 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@@](C)(CNC(=O)Cc2c[nH+]cn2C)C2CC2)CC[N@@H+]1C ZINC001297566346 1262880831 /nfs/dbraw/zinc/88/08/31/1262880831.db2.gz UNRDNNSEOCQPJF-NRXGSXMXSA-N 2 2 361.490 0.704 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@@](C)(CNC(=O)Cc2c[nH+]cn2C)C2CC2)CC[N@H+]1C ZINC001297566346 1262880843 /nfs/dbraw/zinc/88/08/43/1262880843.db2.gz UNRDNNSEOCQPJF-NRXGSXMXSA-N 2 2 361.490 0.704 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@](C)(NC(=O)CC[NH+](C)C)C1CC1 ZINC001297575943 1262882507 /nfs/dbraw/zinc/88/25/07/1262882507.db2.gz HSINSVCLLFGGSY-CLCXKQKWSA-N 2 2 361.490 0.876 10 0 FCAELP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)Nc2cnccn2)C1 ZINC001479486862 1263218505 /nfs/dbraw/zinc/21/85/05/1263218505.db2.gz LXXRFOKFJNABNX-UONOGXRCSA-N 2 2 371.445 0.266 10 0 FCAELP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001479594267 1263269753 /nfs/dbraw/zinc/26/97/53/1263269753.db2.gz FKECPYJGXWRXMC-DLBZAZTESA-N 2 2 357.543 0.621 10 0 FCAELP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001479594267 1263269762 /nfs/dbraw/zinc/26/97/62/1263269762.db2.gz FKECPYJGXWRXMC-DLBZAZTESA-N 2 2 357.543 0.621 10 0 FCAELP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC(=O)NCc2cccnc2)[C@@H]1C)[NH+](C)C ZINC001479718523 1263385747 /nfs/dbraw/zinc/38/57/47/1263385747.db2.gz QWVIJFQAXLNXLG-PVAVHDDUSA-N 2 2 361.490 0.617 10 0 FCAELP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)NCc2cccnc2)[C@@H]1C)[NH+](C)C ZINC001479718523 1263385757 /nfs/dbraw/zinc/38/57/57/1263385757.db2.gz QWVIJFQAXLNXLG-PVAVHDDUSA-N 2 2 361.490 0.617 10 0 FCAELP Cn1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)Cc3cn4c([nH+]3)CCCC4)C2)nn1 ZINC001316650137 1263397249 /nfs/dbraw/zinc/39/72/49/1263397249.db2.gz CPJUBGUCIDYWOA-LSDHHAIUSA-N 2 2 371.489 0.965 10 0 FCAELP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CC[C@@H]([NH2+]CC(=O)Nc2ccon2)C1 ZINC001316651724 1263397386 /nfs/dbraw/zinc/39/73/86/1263397386.db2.gz APOKJGDZMORICO-QWHCGFSZSA-N 2 2 360.418 0.844 10 0 FCAELP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CC[C@@H]([NH2+]CC(=O)Nc2ccon2)C1 ZINC001316651724 1263397393 /nfs/dbraw/zinc/39/73/93/1263397393.db2.gz APOKJGDZMORICO-QWHCGFSZSA-N 2 2 360.418 0.844 10 0 FCAELP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001316657822 1263402831 /nfs/dbraw/zinc/40/28/31/1263402831.db2.gz QODAEDNDIYDIRB-JKSUJKDBSA-N 2 2 363.462 0.007 10 0 FCAELP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCNC(=O)NC(C)(C)C)[C@@H]1C ZINC001479727126 1263403336 /nfs/dbraw/zinc/40/33/36/1263403336.db2.gz BTQKSIGUKQZGNG-HIFRSBDPSA-N 2 2 364.494 0.868 10 0 FCAELP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCNC(=O)NC(C)(C)C)[C@@H]1C ZINC001479727126 1263403338 /nfs/dbraw/zinc/40/33/38/1263403338.db2.gz BTQKSIGUKQZGNG-HIFRSBDPSA-N 2 2 364.494 0.868 10 0 FCAELP COC[C@H](O)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001479737968 1263407612 /nfs/dbraw/zinc/40/76/12/1263407612.db2.gz RBHZXVZODWKDRU-YLFCFFPRSA-N 2 2 364.490 0.844 10 0 FCAELP COC[C@H](O)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001479737968 1263407619 /nfs/dbraw/zinc/40/76/19/1263407619.db2.gz RBHZXVZODWKDRU-YLFCFFPRSA-N 2 2 364.490 0.844 10 0 FCAELP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CC(=O)NC(C)(C)C ZINC001316695018 1263426182 /nfs/dbraw/zinc/42/61/82/1263426182.db2.gz JBNJXQZCNQNQDH-HUUCEWRRSA-N 2 2 365.478 0.251 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001480666224 1263435662 /nfs/dbraw/zinc/43/56/62/1263435662.db2.gz SPVUQCOMKXDCPH-MGPQQGTHSA-N 2 2 354.476 0.006 10 0 FCAELP COCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001316753639 1263455751 /nfs/dbraw/zinc/45/57/51/1263455751.db2.gz CMOPNSJTNNTRHP-YYIAUSFCSA-N 2 2 362.474 0.957 10 0 FCAELP COCCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001316753639 1263455758 /nfs/dbraw/zinc/45/57/58/1263455758.db2.gz CMOPNSJTNNTRHP-YYIAUSFCSA-N 2 2 362.474 0.957 10 0 FCAELP COCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001316753639 1263455762 /nfs/dbraw/zinc/45/57/62/1263455762.db2.gz CMOPNSJTNNTRHP-YYIAUSFCSA-N 2 2 362.474 0.957 10 0 FCAELP COCCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001316753639 1263455767 /nfs/dbraw/zinc/45/57/67/1263455767.db2.gz CMOPNSJTNNTRHP-YYIAUSFCSA-N 2 2 362.474 0.957 10 0 FCAELP CCOCCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001484442985 1263472385 /nfs/dbraw/zinc/47/23/85/1263472385.db2.gz CISWLJXFSJBPRF-GPMSIDNRSA-N 2 2 364.490 0.893 10 0 FCAELP CCOCCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001484442985 1263472388 /nfs/dbraw/zinc/47/23/88/1263472388.db2.gz CISWLJXFSJBPRF-GPMSIDNRSA-N 2 2 364.490 0.893 10 0 FCAELP O=C(C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)N1CCCC1 ZINC001317150353 1263503337 /nfs/dbraw/zinc/50/33/37/1263503337.db2.gz MZOLNSAJXKVRTB-ARFHVFGLSA-N 2 2 359.474 0.964 10 0 FCAELP O=C(C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)N1CCCC1 ZINC001317150353 1263503339 /nfs/dbraw/zinc/50/33/39/1263503339.db2.gz MZOLNSAJXKVRTB-ARFHVFGLSA-N 2 2 359.474 0.964 10 0 FCAELP CN(C[C@@H](O)C[NH2+]Cc1cccc(C(N)=O)c1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001486282564 1263528975 /nfs/dbraw/zinc/52/89/75/1263528975.db2.gz DVIOYOSXXHYZCW-ARFHVFGLSA-N 2 2 371.441 0.221 10 0 FCAELP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001487456471 1263608879 /nfs/dbraw/zinc/60/88/79/1263608879.db2.gz RLNYPZFBCYSZEA-KLHDSHLOSA-N 2 2 361.490 0.876 10 0 FCAELP CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001487456471 1263608890 /nfs/dbraw/zinc/60/88/90/1263608890.db2.gz RLNYPZFBCYSZEA-KLHDSHLOSA-N 2 2 361.490 0.876 10 0 FCAELP Cn1cc(CC[NH2+]C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)cn1 ZINC001491834666 1263625106 /nfs/dbraw/zinc/62/51/06/1263625106.db2.gz LEWDIQALRFNMJH-BRWVUGGUSA-N 2 2 356.474 0.938 10 0 FCAELP Cn1cc(CC[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)cn1 ZINC001491834667 1263625586 /nfs/dbraw/zinc/62/55/86/1263625586.db2.gz LEWDIQALRFNMJH-GVDBMIGSSA-N 2 2 356.474 0.938 10 0 FCAELP CN(C(=O)C1C[C@@H]2COC[C@H](C1)C2=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001319015528 1263641498 /nfs/dbraw/zinc/64/14/98/1263641498.db2.gz GOTXATPQDKWJSZ-YCXXCVGLSA-N 2 2 363.502 0.855 10 0 FCAELP CN(C(=O)C1C[C@@H]2COC[C@H](C1)C2=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001319015528 1263641505 /nfs/dbraw/zinc/64/15/05/1263641505.db2.gz GOTXATPQDKWJSZ-YCXXCVGLSA-N 2 2 363.502 0.855 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001493702912 1263738773 /nfs/dbraw/zinc/73/87/73/1263738773.db2.gz WCVZULVVBOHZOL-OAGGEKHMSA-N 2 2 371.485 0.630 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@](C)(C[NH2+]Cc1cnnn1C)C1CC1 ZINC001495280384 1263813560 /nfs/dbraw/zinc/81/35/60/1263813560.db2.gz NEGZEWWYEKNHQK-RKVPGOIHSA-N 2 2 357.462 0.727 10 0 FCAELP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC[N@@H+]1C ZINC001321828555 1264074121 /nfs/dbraw/zinc/07/41/21/1264074121.db2.gz COZFGFIJOOKZJN-GDBMZVCRSA-N 2 2 361.490 0.819 10 0 FCAELP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC[N@H+]1C ZINC001321828555 1264074128 /nfs/dbraw/zinc/07/41/28/1264074128.db2.gz COZFGFIJOOKZJN-GDBMZVCRSA-N 2 2 361.490 0.819 10 0 FCAELP CCOCCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001500729473 1264086757 /nfs/dbraw/zinc/08/67/57/1264086757.db2.gz MIECDJIOAWAMJR-IIDMSEBBSA-N 2 2 350.463 0.503 10 0 FCAELP CCOCCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001500729473 1264086762 /nfs/dbraw/zinc/08/67/62/1264086762.db2.gz MIECDJIOAWAMJR-IIDMSEBBSA-N 2 2 350.463 0.503 10 0 FCAELP CC(C)COCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CO2 ZINC001502458460 1264173723 /nfs/dbraw/zinc/17/37/23/1264173723.db2.gz YNINPSARQMURHK-IXDOHACOSA-N 2 2 353.507 0.959 10 0 FCAELP CC(C)COCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CO2 ZINC001502458460 1264173728 /nfs/dbraw/zinc/17/37/28/1264173728.db2.gz YNINPSARQMURHK-IXDOHACOSA-N 2 2 353.507 0.959 10 0 FCAELP CN(CCC[NH2+]Cc1nnn(C)n1)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001322704976 1264246618 /nfs/dbraw/zinc/24/66/18/1264246618.db2.gz FVAXAIFHHKJIMT-SJORKVTESA-N 2 2 371.489 0.494 10 0 FCAELP CN(CCC[NH2+]Cc1nnn(C)n1)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001322704976 1264246625 /nfs/dbraw/zinc/24/66/25/1264246625.db2.gz FVAXAIFHHKJIMT-SJORKVTESA-N 2 2 371.489 0.494 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CCC(C)(C)O3)C2)CC1 ZINC001322780820 1264264185 /nfs/dbraw/zinc/26/41/85/1264264185.db2.gz MDEGSGTTWOSBOM-GOEBONIOSA-N 2 2 366.506 0.345 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CCC(C)(C)O3)C2)CC1 ZINC001322780820 1264264190 /nfs/dbraw/zinc/26/41/90/1264264190.db2.gz MDEGSGTTWOSBOM-GOEBONIOSA-N 2 2 366.506 0.345 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCC1CCOCC1 ZINC001507236721 1264359715 /nfs/dbraw/zinc/35/97/15/1264359715.db2.gz CSXFGQSIODGEGN-ARFHVFGLSA-N 2 2 350.463 0.407 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]([NH2+]CCS(C)(=O)=O)C(C)(C)C1 ZINC001507445497 1264363408 /nfs/dbraw/zinc/36/34/08/1264363408.db2.gz DEGHUDVOVXXUGA-NFAWXSAZSA-N 2 2 368.503 0.395 10 0 FCAELP Cc1cc(C[NH2+]C[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)[nH]n1 ZINC001327191507 1265250480 /nfs/dbraw/zinc/25/04/80/1265250480.db2.gz RYRUJKXCYJETAB-HNNXBMFYSA-N 2 2 371.489 0.654 10 0 FCAELP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC001333611475 1266649836 /nfs/dbraw/zinc/64/98/36/1266649836.db2.gz OBBNWHVFDVFOMY-UZLBHIALSA-N 2 2 373.501 0.946 10 0 FCAELP CC[C@@H]1C[C@H]1C(=O)NCCC[NH+]1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001524053160 1266681123 /nfs/dbraw/zinc/68/11/23/1266681123.db2.gz WXZKKISGNVCRPS-IAGOWNOFSA-N 2 2 361.490 0.888 10 0 FCAELP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001527803749 1266926110 /nfs/dbraw/zinc/92/61/10/1266926110.db2.gz SKXFGWKBMMZQSH-XKGZKEIXSA-N 2 2 374.485 0.698 10 0 FCAELP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001527803749 1266926121 /nfs/dbraw/zinc/92/61/21/1266926121.db2.gz SKXFGWKBMMZQSH-XKGZKEIXSA-N 2 2 374.485 0.698 10 0 FCAELP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001527803749 1266926134 /nfs/dbraw/zinc/92/61/34/1266926134.db2.gz SKXFGWKBMMZQSH-XKGZKEIXSA-N 2 2 374.485 0.698 10 0 FCAELP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001527803749 1266926144 /nfs/dbraw/zinc/92/61/44/1266926144.db2.gz SKXFGWKBMMZQSH-XKGZKEIXSA-N 2 2 374.485 0.698 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001536003408 1267314749 /nfs/dbraw/zinc/31/47/49/1267314749.db2.gz JQTKLOMNCUTRPH-ZIAGYGMSSA-N 2 2 357.458 0.384 10 0 FCAELP C[N@@H+]1CC[C@@H](C(=O)NCCC2(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001340526680 1268576313 /nfs/dbraw/zinc/57/63/13/1268576313.db2.gz BVEHQGQADLKSMR-RBSFLKMASA-N 2 2 359.474 0.868 10 0 FCAELP C[N@H+]1CC[C@@H](C(=O)NCCC2(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001340526680 1268576318 /nfs/dbraw/zinc/57/63/18/1268576318.db2.gz BVEHQGQADLKSMR-RBSFLKMASA-N 2 2 359.474 0.868 10 0 FCAELP C[N@@H+]1CC[C@@H](C(=O)NCCC2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001340526680 1268576326 /nfs/dbraw/zinc/57/63/26/1268576326.db2.gz BVEHQGQADLKSMR-RBSFLKMASA-N 2 2 359.474 0.868 10 0 FCAELP C[N@H+]1CC[C@@H](C(=O)NCCC2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001340526680 1268576333 /nfs/dbraw/zinc/57/63/33/1268576333.db2.gz BVEHQGQADLKSMR-RBSFLKMASA-N 2 2 359.474 0.868 10 0 FCAELP C[C@H]1C[C@@H](NC(=O)C(=O)NCc2nc(C[NH+](C)C)cs2)CC[N@@H+]1C ZINC001340694688 1268625741 /nfs/dbraw/zinc/62/57/41/1268625741.db2.gz RKPFJOVLEFXDHV-RYUDHWBXSA-N 2 2 353.492 0.420 10 0 FCAELP C[C@H]1C[C@@H](NC(=O)C(=O)NCc2nc(C[NH+](C)C)cs2)CC[N@H+]1C ZINC001340694688 1268625745 /nfs/dbraw/zinc/62/57/45/1268625745.db2.gz RKPFJOVLEFXDHV-RYUDHWBXSA-N 2 2 353.492 0.420 10 0 FCAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H]3CCNC(=O)CC3)CC2)CC1 ZINC001557073340 1268924790 /nfs/dbraw/zinc/92/47/90/1268924790.db2.gz LAGMUPHKHSCJJR-MRXNPFEDSA-N 2 2 350.507 0.921 10 0 FCAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H]3CCNC(=O)CC3)CC2)CC1 ZINC001557073340 1268924798 /nfs/dbraw/zinc/92/47/98/1268924798.db2.gz LAGMUPHKHSCJJR-MRXNPFEDSA-N 2 2 350.507 0.921 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001566013711 1269551463 /nfs/dbraw/zinc/55/14/63/1269551463.db2.gz HFTULGBWHJJMIP-HZSPNIEDSA-N 2 2 370.473 0.257 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001566013711 1269551465 /nfs/dbraw/zinc/55/14/65/1269551465.db2.gz HFTULGBWHJJMIP-HZSPNIEDSA-N 2 2 370.473 0.257 10 0 FCAELP CCOCC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001566036361 1269567425 /nfs/dbraw/zinc/56/74/25/1269567425.db2.gz YRIBAOJMOMXDJL-GVDBMIGSSA-N 2 2 364.490 0.845 10 0 FCAELP CCOCC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001566036361 1269567432 /nfs/dbraw/zinc/56/74/32/1269567432.db2.gz YRIBAOJMOMXDJL-GVDBMIGSSA-N 2 2 364.490 0.845 10 0 FCAELP CCCn1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001566055318 1269590068 /nfs/dbraw/zinc/59/00/68/1269590068.db2.gz SUNBLPFMMFSMQJ-CVEARBPZSA-N 2 2 363.510 0.704 10 0 FCAELP CCCn1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001566055318 1269590075 /nfs/dbraw/zinc/59/00/75/1269590075.db2.gz SUNBLPFMMFSMQJ-CVEARBPZSA-N 2 2 363.510 0.704 10 0 FCAELP CCCn1nnnc1C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2C1 ZINC001566055318 1269590087 /nfs/dbraw/zinc/59/00/87/1269590087.db2.gz SUNBLPFMMFSMQJ-CVEARBPZSA-N 2 2 363.510 0.704 10 0 FCAELP CCCn1nnnc1C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]2C1 ZINC001566055318 1269590093 /nfs/dbraw/zinc/59/00/93/1269590093.db2.gz SUNBLPFMMFSMQJ-CVEARBPZSA-N 2 2 363.510 0.704 10 0 FCAELP C[C@@H]1COCC[C@H]1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001342764246 1269596979 /nfs/dbraw/zinc/59/69/79/1269596979.db2.gz AZTJBENCJDDIGB-GDBMZVCRSA-N 2 2 354.495 0.012 10 0 FCAELP C[C@@H]1COCC[C@H]1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001342764246 1269596985 /nfs/dbraw/zinc/59/69/85/1269596985.db2.gz AZTJBENCJDDIGB-GDBMZVCRSA-N 2 2 354.495 0.012 10 0 FCAELP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001566107220 1269607475 /nfs/dbraw/zinc/60/74/75/1269607475.db2.gz YOMPBAJNHOOEGB-BBWFWOEESA-N 2 2 368.522 0.448 10 0 FCAELP CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001566107220 1269607478 /nfs/dbraw/zinc/60/74/78/1269607478.db2.gz YOMPBAJNHOOEGB-BBWFWOEESA-N 2 2 368.522 0.448 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001566905724 1269668165 /nfs/dbraw/zinc/66/81/65/1269668165.db2.gz SHHOZCJOMNEQMI-FVQBIDKESA-N 2 2 359.474 0.630 10 0 FCAELP C[C@@H](C[NH2+]CC1(CS(C)(=O)=O)CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001568279474 1269726252 /nfs/dbraw/zinc/72/62/52/1269726252.db2.gz NVRKSQGYZCUZBM-BFHYXJOUSA-N 2 2 368.503 0.775 10 0 FCAELP C[C@@H](C[NH2+]CC1(CS(C)(=O)=O)CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001568279474 1269726257 /nfs/dbraw/zinc/72/62/57/1269726257.db2.gz NVRKSQGYZCUZBM-BFHYXJOUSA-N 2 2 368.503 0.775 10 0 FCAELP C[C@@H](CC[NH2+]Cc1nnnn1C1CC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001568679184 1269743836 /nfs/dbraw/zinc/74/38/36/1269743836.db2.gz HSRGYGQLLBHXOX-IACUBPJLSA-N 2 2 358.450 0.530 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]Cc2nnnn2C(C)(C)C)CC[N@@H+]1C ZINC001568851890 1269750769 /nfs/dbraw/zinc/75/07/69/1269750769.db2.gz OGORPDUMFRKPHT-PRQMKSPXSA-N 2 2 363.510 0.920 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]Cc2nnnn2C(C)(C)C)CC[N@H+]1C ZINC001568851890 1269750773 /nfs/dbraw/zinc/75/07/73/1269750773.db2.gz OGORPDUMFRKPHT-PRQMKSPXSA-N 2 2 363.510 0.920 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](C[NH2+]CC(=O)NC(C)(C)C)C1CC1 ZINC001569320650 1269776552 /nfs/dbraw/zinc/77/65/52/1269776552.db2.gz YBKDGXSSXDOURW-KFWWJZLASA-N 2 2 361.490 0.923 10 0 FCAELP Cc1cc(C[NH+]2CCC[C@](CO)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)on1 ZINC001569893842 1269817625 /nfs/dbraw/zinc/81/76/25/1269817625.db2.gz JULBPJSJXJNRTI-KYJSFNMBSA-N 2 2 350.463 0.766 10 0 FCAELP Cc1cc(C[NH+]2CCC[C@](CO)(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)on1 ZINC001569893842 1269817634 /nfs/dbraw/zinc/81/76/34/1269817634.db2.gz JULBPJSJXJNRTI-KYJSFNMBSA-N 2 2 350.463 0.766 10 0 FCAELP Cc1cc(C[N@H+]2CCC[C@](CO)(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)on1 ZINC001569893842 1269817641 /nfs/dbraw/zinc/81/76/41/1269817641.db2.gz JULBPJSJXJNRTI-KYJSFNMBSA-N 2 2 350.463 0.766 10 0 FCAELP Cc1cc(C[N@@H+]2CCC[C@](CO)(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)on1 ZINC001569893842 1269817650 /nfs/dbraw/zinc/81/76/50/1269817650.db2.gz JULBPJSJXJNRTI-KYJSFNMBSA-N 2 2 350.463 0.766 10 0 FCAELP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCCC[C@H]1C[NH2+]CCCO ZINC001570512758 1269897724 /nfs/dbraw/zinc/89/77/24/1269897724.db2.gz CBSYMPVASOTPGX-KSZLIROESA-N 2 2 369.506 0.219 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC2(CO[C@H](C[NH2+]CCO)C2)CC1 ZINC001571072829 1269925304 /nfs/dbraw/zinc/92/53/04/1269925304.db2.gz IEFTZLQRXACWEE-ARFHVFGLSA-N 2 2 362.474 0.503 10 0 FCAELP C[NH+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001573057052 1270576264 /nfs/dbraw/zinc/57/62/64/1270576264.db2.gz VJZWEJPFZLVLBI-BZUAXINKSA-N 2 2 359.474 0.457 10 0 FCAELP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001573147770 1270617064 /nfs/dbraw/zinc/61/70/64/1270617064.db2.gz JDUHARNCZAHUOB-AALSBFMBSA-N 2 2 359.474 0.866 10 0 FCAELP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001573147770 1270617071 /nfs/dbraw/zinc/61/70/71/1270617071.db2.gz JDUHARNCZAHUOB-AALSBFMBSA-N 2 2 359.474 0.866 10 0 FCAELP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001573147770 1270617077 /nfs/dbraw/zinc/61/70/77/1270617077.db2.gz JDUHARNCZAHUOB-AALSBFMBSA-N 2 2 359.474 0.866 10 0 FCAELP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001573147770 1270617083 /nfs/dbraw/zinc/61/70/83/1270617083.db2.gz JDUHARNCZAHUOB-AALSBFMBSA-N 2 2 359.474 0.866 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCN1C(=O)CC[NH+](C)C ZINC001573274297 1270729518 /nfs/dbraw/zinc/72/95/18/1270729518.db2.gz CRFXLUDAIXTNSB-HYVNUMGLSA-N 2 2 361.490 0.893 10 0 FCAELP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001573923710 1270930891 /nfs/dbraw/zinc/93/08/91/1270930891.db2.gz SPAQKYFDDNYZSO-HZPDHXFCSA-N 2 2 361.490 0.895 10 0 FCAELP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001574581135 1271380862 /nfs/dbraw/zinc/38/08/62/1271380862.db2.gz RYBHDUYRWDKCMC-ZACQAIPSSA-N 2 2 373.501 0.962 10 0 FCAELP Cc1c[nH+]cn1CC(=O)NCCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001577201388 1274249217 /nfs/dbraw/zinc/24/92/17/1274249217.db2.gz WXEKGYISWQSWSV-HUUCEWRRSA-N 2 2 358.446 0.693 10 0 FCAELP C[NH+](C)CCC(=O)N1CCC2(C[C@@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001578092644 1275395261 /nfs/dbraw/zinc/39/52/61/1275395261.db2.gz WUAVUGJHPNPBSO-FMKPAKJESA-N 2 2 359.474 0.962 10 0 FCAELP C[NH+](C)CCC(=O)N1CCC2(C[C@@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001578092644 1275395265 /nfs/dbraw/zinc/39/52/65/1275395265.db2.gz WUAVUGJHPNPBSO-FMKPAKJESA-N 2 2 359.474 0.962 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCNC(=O)C2CC2)C1 ZINC001713537497 1287285782 /nfs/dbraw/zinc/28/57/82/1287285782.db2.gz RDUBVLAVHQBBKL-NUEKZKHPSA-N 2 2 359.474 0.488 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001713537497 1287285785 /nfs/dbraw/zinc/28/57/85/1287285785.db2.gz RDUBVLAVHQBBKL-NUEKZKHPSA-N 2 2 359.474 0.488 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CC3(CS(C)(=O)=O)CC3)C2)CC[N@@H+]1C ZINC001713901488 1287305713 /nfs/dbraw/zinc/30/57/13/1287305713.db2.gz PRGZQLSABIYPOE-JKSUJKDBSA-N 2 2 371.547 0.590 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CC3(CS(C)(=O)=O)CC3)C2)CC[N@H+]1C ZINC001713901488 1287305722 /nfs/dbraw/zinc/30/57/22/1287305722.db2.gz PRGZQLSABIYPOE-JKSUJKDBSA-N 2 2 371.547 0.590 10 0 FCAELP CCN(C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)C1CC1 ZINC001713959524 1287308631 /nfs/dbraw/zinc/30/86/31/1287308631.db2.gz KVVXAWGZVODJCN-RRCSTGOVSA-N 2 2 359.474 0.771 10 0 FCAELP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CC(=O)Nc1cnccn1 ZINC001715080743 1287343201 /nfs/dbraw/zinc/34/32/01/1287343201.db2.gz MRBQIVBZOOEYBK-BFHYXJOUSA-N 2 2 371.445 0.437 10 0 FCAELP CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CCS(C)(=O)=O ZINC001715499465 1287353938 /nfs/dbraw/zinc/35/39/38/1287353938.db2.gz CAMJZVVVRBRCLT-MGPQQGTHSA-N 2 2 356.492 0.299 10 0 FCAELP C[C@@H](CC[NH2+]CCN1CCCS1(=O)=O)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001715652375 1287359760 /nfs/dbraw/zinc/35/97/60/1287359760.db2.gz KLKKZIPMZDDPMM-BFHYXJOUSA-N 2 2 369.491 0.033 10 0 FCAELP C[C@@H](CC[NH2+]CCN1CCCS1(=O)=O)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001715652375 1287359761 /nfs/dbraw/zinc/35/97/61/1287359761.db2.gz KLKKZIPMZDDPMM-BFHYXJOUSA-N 2 2 369.491 0.033 10 0 FCAELP O=C(NC/C=C/C[NH2+]C/C=C\Cl)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001716324118 1287377208 /nfs/dbraw/zinc/37/72/08/1287377208.db2.gz AEISDBLOCJGHFV-IGLSMXPMSA-N 2 2 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C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2C[N@H+](CCOCCO)CC[C@@H]2C1 ZINC001264097515 859310474 /nfs/dbraw/zinc/31/04/74/859310474.db2.gz RGLXREGGFKSPTN-XHSDSOJGSA-N 2 2 350.463 0.378 10 0 FCAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2C[N@@H+](CCOCCO)CC[C@@H]2C1 ZINC001264097515 859310480 /nfs/dbraw/zinc/31/04/80/859310480.db2.gz RGLXREGGFKSPTN-XHSDSOJGSA-N 2 2 350.463 0.378 10 0 FCAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2C[N@H+](CCOCCO)CC[C@@H]2C1 ZINC001264097515 859310485 /nfs/dbraw/zinc/31/04/85/859310485.db2.gz RGLXREGGFKSPTN-XHSDSOJGSA-N 2 2 350.463 0.378 10 0 FCAELP COCCOCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC001264149308 859329548 /nfs/dbraw/zinc/32/95/48/859329548.db2.gz ZLZQOHIMRMTSHN-PMPSAXMXSA-N 2 2 350.463 0.688 10 0 FCAELP COCCOCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC001264149308 859329552 /nfs/dbraw/zinc/32/95/52/859329552.db2.gz ZLZQOHIMRMTSHN-PMPSAXMXSA-N 2 2 350.463 0.688 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001264175512 859344605 /nfs/dbraw/zinc/34/46/05/859344605.db2.gz MZGARFLDPCSOOE-KGLIPLIRSA-N 2 2 350.467 0.063 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001264175512 859344615 /nfs/dbraw/zinc/34/46/15/859344615.db2.gz MZGARFLDPCSOOE-KGLIPLIRSA-N 2 2 350.467 0.063 10 0 FCAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[C@@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)C1 ZINC001264488232 859364773 /nfs/dbraw/zinc/36/47/73/859364773.db2.gz HFCIWCQUNXSHOR-VHDGCEQUSA-N 2 2 370.519 0.816 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CCCO[C@H]1CCOC1 ZINC001264727709 859443849 /nfs/dbraw/zinc/44/38/49/859443849.db2.gz VJEXLGHEVFZJNO-PVAVHDDUSA-N 2 2 350.463 0.737 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CCCO[C@H]1CCOC1 ZINC001264727709 859443854 /nfs/dbraw/zinc/44/38/54/859443854.db2.gz VJEXLGHEVFZJNO-PVAVHDDUSA-N 2 2 350.463 0.737 10 0 FCAELP C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CC(=O)Nc1nncs1 ZINC001266151276 859472624 /nfs/dbraw/zinc/47/26/24/859472624.db2.gz AKHBMYGJCOPIKX-GMTAPVOTSA-N 2 2 363.447 0.488 10 0 FCAELP CCOCCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001266217565 859473216 /nfs/dbraw/zinc/47/32/16/859473216.db2.gz CLNFXQUJQBPIPA-BZUAXINKSA-N 2 2 354.495 0.060 10 0 FCAELP CCOCCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001266217565 859473221 /nfs/dbraw/zinc/47/32/21/859473221.db2.gz CLNFXQUJQBPIPA-BZUAXINKSA-N 2 2 354.495 0.060 10 0 FCAELP CCOCCNC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001266217565 859473226 /nfs/dbraw/zinc/47/32/26/859473226.db2.gz CLNFXQUJQBPIPA-BZUAXINKSA-N 2 2 354.495 0.060 10 0 FCAELP CCOCCNC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001266217565 859473229 /nfs/dbraw/zinc/47/32/29/859473229.db2.gz CLNFXQUJQBPIPA-BZUAXINKSA-N 2 2 354.495 0.060 10 0 FCAELP CCN(CC[NH2+]C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001268458602 859533047 /nfs/dbraw/zinc/53/30/47/859533047.db2.gz FBMBFKQHRFLKTD-BFHYXJOUSA-N 2 2 354.476 0.386 10 0 FCAELP CCN(CC[NH2+]C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001268458602 859533059 /nfs/dbraw/zinc/53/30/59/859533059.db2.gz FBMBFKQHRFLKTD-BFHYXJOUSA-N 2 2 354.476 0.386 10 0 FCAELP C[NH+]1CC(N2CCN(C(=O)C3CCC([NH+]4CCOCC4)CC3)CC2)C1 ZINC001349328034 866307856 /nfs/dbraw/zinc/30/78/56/866307856.db2.gz YCGPIGJXVXVUOU-UHFFFAOYSA-N 2 2 350.507 0.336 10 0 FCAELP CC[C@H](C(=O)N1CC(N2CC[NH+](CC)CC2)C1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001350717848 866669146 /nfs/dbraw/zinc/66/91/46/866669146.db2.gz UKHFSQOZKJLCPP-ZWKOTPCHSA-N 2 2 352.523 0.724 10 0 FCAELP CC[C@H](C(=O)N1CC(N2CC[NH+](CC)CC2)C1)[N@H+]1CCO[C@@H](CC)C1 ZINC001350717848 866669163 /nfs/dbraw/zinc/66/91/63/866669163.db2.gz UKHFSQOZKJLCPP-ZWKOTPCHSA-N 2 2 352.523 0.724 10 0 FCAELP COCCCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001317929944 867581101 /nfs/dbraw/zinc/58/11/01/867581101.db2.gz BCUCKSRMVSNRAD-BZUAXINKSA-N 2 2 354.495 0.060 10 0 FCAELP COCCCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001317929944 867581118 /nfs/dbraw/zinc/58/11/18/867581118.db2.gz BCUCKSRMVSNRAD-BZUAXINKSA-N 2 2 354.495 0.060 10 0 FCAELP COCCCNC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001317929944 867581129 /nfs/dbraw/zinc/58/11/29/867581129.db2.gz BCUCKSRMVSNRAD-BZUAXINKSA-N 2 2 354.495 0.060 10 0 FCAELP COCCCNC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001317929944 867581140 /nfs/dbraw/zinc/58/11/40/867581140.db2.gz BCUCKSRMVSNRAD-BZUAXINKSA-N 2 2 354.495 0.060 10 0 FCAELP CCN(CC[NH2+]C[C@@H]1CCCS(=O)(=O)C1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001320758156 868266121 /nfs/dbraw/zinc/26/61/21/868266121.db2.gz DGNMZTFLWMAIPC-RRFJBIMHSA-N 2 2 368.503 0.776 10 0 FCAELP CCN(CC[NH2+]C[C@@H]1CCCS(=O)(=O)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001320758156 868266139 /nfs/dbraw/zinc/26/61/39/868266139.db2.gz DGNMZTFLWMAIPC-RRFJBIMHSA-N 2 2 368.503 0.776 10 0 FCAELP CN(C(=O)C(=O)NC1CC(C)(C)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001328321473 871361546 /nfs/dbraw/zinc/36/15/46/871361546.db2.gz OKHIIBIPUGRGPT-INIZCTEOSA-N 2 2 350.507 0.918 10 0 FCAELP CN(C(=O)C(=O)NC1CC(C)(C)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001328321473 871361565 /nfs/dbraw/zinc/36/15/65/871361565.db2.gz OKHIIBIPUGRGPT-INIZCTEOSA-N 2 2 350.507 0.918 10 0 FCAELP Cc1[nH+]ccn1CCCNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001346255696 871732591 /nfs/dbraw/zinc/73/25/91/871732591.db2.gz IJYQWMBZAHCAET-DOTOQJQBSA-N 2 2 351.451 0.107 10 0 FCAELP Cc1[nH+]ccn1CCCNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001346255696 871732602 /nfs/dbraw/zinc/73/26/02/871732602.db2.gz IJYQWMBZAHCAET-DOTOQJQBSA-N 2 2 351.451 0.107 10 0 FCAELP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCC3(C2)OCCO3)[C@H](C)C1 ZINC001346560020 871905184 /nfs/dbraw/zinc/90/51/84/871905184.db2.gz YXRYEWIQOQNJPM-CVEARBPZSA-N 2 2 354.495 0.807 10 0 FCAELP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCC3(C2)OCCO3)[C@H](C)C1 ZINC001346560020 871905186 /nfs/dbraw/zinc/90/51/86/871905186.db2.gz YXRYEWIQOQNJPM-CVEARBPZSA-N 2 2 354.495 0.807 10 0 FCAELP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)[C@H](C)C1 ZINC001346560020 871905189 /nfs/dbraw/zinc/90/51/89/871905189.db2.gz YXRYEWIQOQNJPM-CVEARBPZSA-N 2 2 354.495 0.807 10 0 FCAELP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@H+]2CCC3(C2)OCCO3)[C@H](C)C1 ZINC001346560020 871905192 /nfs/dbraw/zinc/90/51/92/871905192.db2.gz YXRYEWIQOQNJPM-CVEARBPZSA-N 2 2 354.495 0.807 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCC[C@@H]3CC3(F)F)C2)CC1 ZINC001331077431 872947663 /nfs/dbraw/zinc/94/76/63/872947663.db2.gz LXXGBKPHKDGVAL-CHWSQXEVSA-N 2 2 358.433 0.433 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCC[C@@H]3CC3(F)F)C2)CC1 ZINC001331077431 872947666 /nfs/dbraw/zinc/94/76/66/872947666.db2.gz LXXGBKPHKDGVAL-CHWSQXEVSA-N 2 2 358.433 0.433 10 0 FCAELP CS(=O)(=O)[C@@H]1C[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C[C@H]1C(F)(F)F ZINC001333143984 873821485 /nfs/dbraw/zinc/82/14/85/873821485.db2.gz HBYXSKRNJJJSHR-IJLUTSLNSA-N 2 2 371.425 0.091 10 0 FCAELP CS(=O)(=O)[C@@H]1C[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C[C@H]1C(F)(F)F ZINC001333143984 873821492 /nfs/dbraw/zinc/82/14/92/873821492.db2.gz HBYXSKRNJJJSHR-IJLUTSLNSA-N 2 2 371.425 0.091 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000291884180 214062564 /nfs/dbraw/zinc/06/25/64/214062564.db2.gz JHKYBVKIMWYFCL-UHFFFAOYSA-N 2 2 363.462 0.507 10 0 FCAELP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)NCc3ccc(OCC(N)=O)cc3)C2)C1 ZINC000292140012 214079718 /nfs/dbraw/zinc/07/97/18/214079718.db2.gz MIAAHRYZJQCWJG-IBGZPJMESA-N 2 2 360.458 0.195 10 0 FCAELP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)NCc3ccc(OCC(N)=O)cc3)C2)C1 ZINC000292140012 214079722 /nfs/dbraw/zinc/07/97/22/214079722.db2.gz MIAAHRYZJQCWJG-IBGZPJMESA-N 2 2 360.458 0.195 10 0 FCAELP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)NCc3ccc(OCC(N)=O)cc3)C2)C1 ZINC000292140012 214079724 /nfs/dbraw/zinc/07/97/24/214079724.db2.gz MIAAHRYZJQCWJG-IBGZPJMESA-N 2 2 360.458 0.195 10 0 FCAELP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)NCc3ccc(OCC(N)=O)cc3)C2)C1 ZINC000292140012 214079727 /nfs/dbraw/zinc/07/97/27/214079727.db2.gz MIAAHRYZJQCWJG-IBGZPJMESA-N 2 2 360.458 0.195 10 0 FCAELP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000930492098 674031885 /nfs/dbraw/zinc/03/18/85/674031885.db2.gz VMJGVDWAQUVJNB-FZMZJTMJSA-N 2 2 365.503 0.420 10 0 FCAELP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000930492098 674031886 /nfs/dbraw/zinc/03/18/86/674031886.db2.gz VMJGVDWAQUVJNB-FZMZJTMJSA-N 2 2 365.503 0.420 10 0 FCAELP Cn1cnc2c1c(=O)n(CCC[NH+]1CCC(c3[nH]cc[nH+]3)CC1)c(=O)n2C ZINC000265506089 210153237 /nfs/dbraw/zinc/15/32/37/210153237.db2.gz QBWIURUJLFGFNB-UHFFFAOYSA-N 2 2 371.445 0.427 10 0 FCAELP C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000410491478 530066222 /nfs/dbraw/zinc/06/62/22/530066222.db2.gz VSOQWVHTOOFTPB-QGZVFWFLSA-N 2 2 350.507 0.875 10 0 FCAELP Cn1ccnc1C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000264925356 210017558 /nfs/dbraw/zinc/01/75/58/210017558.db2.gz XACQKFQPAJXNGM-HNNXBMFYSA-N 2 2 357.462 0.805 10 0 FCAELP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000284952511 213255454 /nfs/dbraw/zinc/25/54/54/213255454.db2.gz OKMZHQYDWGQXLO-OAHLLOKOSA-N 2 2 370.457 0.684 10 0 FCAELP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000284952511 213255457 /nfs/dbraw/zinc/25/54/57/213255457.db2.gz OKMZHQYDWGQXLO-OAHLLOKOSA-N 2 2 370.457 0.684 10 0 FCAELP CC(C)[NH2+]C1CCN(C(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2)CC1 ZINC000284818901 213228159 /nfs/dbraw/zinc/22/81/59/213228159.db2.gz HWGFWRDFCSUELL-UHFFFAOYSA-N 2 2 370.457 0.873 10 0 FCAELP O=C(NCc1cccnc1-n1cc[nH+]c1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000284741504 213210130 /nfs/dbraw/zinc/21/01/30/213210130.db2.gz BWKCYSMHYOBJIG-UHFFFAOYSA-N 2 2 368.441 0.580 10 0 FCAELP O=C(NCc1cccnc1-n1cc[nH+]c1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000284199380 213095023 /nfs/dbraw/zinc/09/50/23/213095023.db2.gz HNFMOVHGNLMIOS-HOTGVXAUSA-N 2 2 368.441 0.627 10 0 FCAELP O=C(NCc1cccnc1-n1cc[nH+]c1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000284199380 213095027 /nfs/dbraw/zinc/09/50/27/213095027.db2.gz HNFMOVHGNLMIOS-HOTGVXAUSA-N 2 2 368.441 0.627 10 0 FCAELP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000284085523 213071171 /nfs/dbraw/zinc/07/11/71/213071171.db2.gz VKSNXMOXVKAOPU-RDJZCZTQSA-N 2 2 357.458 0.677 10 0 FCAELP C[C@@H](O)[C@H]1C[N@H+](Cc2cccc(C[NH+]3CCO[C@H]([C@H](C)O)C3)c2)CCO1 ZINC000412096021 237165542 /nfs/dbraw/zinc/16/55/42/237165542.db2.gz SGHOMQYYBPCREL-NFQUHZNNSA-N 2 2 364.486 0.850 10 0 FCAELP C[C@@H](O)[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CCO[C@H]([C@H](C)O)C3)c2)CCO1 ZINC000412096021 237165548 /nfs/dbraw/zinc/16/55/48/237165548.db2.gz SGHOMQYYBPCREL-NFQUHZNNSA-N 2 2 364.486 0.850 10 0 FCAELP C[C@@H](O)[C@H]1C[NH+](Cc2cccc(C[N@@H+]3CCO[C@H]([C@H](C)O)C3)c2)CCO1 ZINC000412096021 237165556 /nfs/dbraw/zinc/16/55/56/237165556.db2.gz SGHOMQYYBPCREL-NFQUHZNNSA-N 2 2 364.486 0.850 10 0 FCAELP C[C@@H](O)[C@H]1C[NH+](Cc2cccc(C[N@H+]3CCO[C@H]([C@H](C)O)C3)c2)CCO1 ZINC000412096021 237165565 /nfs/dbraw/zinc/16/55/65/237165565.db2.gz SGHOMQYYBPCREL-NFQUHZNNSA-N 2 2 364.486 0.850 10 0 FCAELP Cc1cnn([C@H]2CC[NH+](CC(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)C2)c1 ZINC000368088251 216200921 /nfs/dbraw/zinc/20/09/21/216200921.db2.gz FUEGVIDAXMMGNS-ROUUACIJSA-N 2 2 363.506 0.911 10 0 FCAELP Cc1cnn([C@H]2CC[NH+](CC(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)C2)c1 ZINC000368088251 216200924 /nfs/dbraw/zinc/20/09/24/216200924.db2.gz FUEGVIDAXMMGNS-ROUUACIJSA-N 2 2 363.506 0.911 10 0 FCAELP Cc1cnn([C@H]2CC[N@@H+](CC(=O)NC[C@H]3C[NH+](CC(C)C)CCO3)C2)c1 ZINC000368088251 216200928 /nfs/dbraw/zinc/20/09/28/216200928.db2.gz FUEGVIDAXMMGNS-ROUUACIJSA-N 2 2 363.506 0.911 10 0 FCAELP Cc1cnn([C@H]2CC[N@H+](CC(=O)NC[C@H]3C[NH+](CC(C)C)CCO3)C2)c1 ZINC000368088251 216200933 /nfs/dbraw/zinc/20/09/33/216200933.db2.gz FUEGVIDAXMMGNS-ROUUACIJSA-N 2 2 363.506 0.911 10 0 FCAELP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000368189730 216213794 /nfs/dbraw/zinc/21/37/94/216213794.db2.gz JOBFAUIQBHZZKH-CQSZACIVSA-N 2 2 360.462 0.217 10 0 FCAELP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000368189730 216213797 /nfs/dbraw/zinc/21/37/97/216213797.db2.gz JOBFAUIQBHZZKH-CQSZACIVSA-N 2 2 360.462 0.217 10 0 FCAELP CN(C)S(=O)(=O)n1ccnc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000368216950 216219047 /nfs/dbraw/zinc/21/90/47/216219047.db2.gz VEDFCXUSDGHLQJ-OAHLLOKOSA-N 2 2 355.508 0.701 10 0 FCAELP CN(C)S(=O)(=O)n1ccnc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000368216950 216219051 /nfs/dbraw/zinc/21/90/51/216219051.db2.gz VEDFCXUSDGHLQJ-OAHLLOKOSA-N 2 2 355.508 0.701 10 0 FCAELP 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ZINC000237305141 209351622 /nfs/dbraw/zinc/35/16/22/209351622.db2.gz SUDNTJJJEYRUDF-KBMXLJTQSA-N 2 2 357.520 0.532 10 0 FCAELP Cn1c(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc(=O)n(C)c1=O ZINC000195285900 209335483 /nfs/dbraw/zinc/33/54/83/209335483.db2.gz RSXNTPBNWZJASD-MRXNPFEDSA-N 2 2 357.458 0.433 10 0 FCAELP Cn1c(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc(=O)n(C)c1=O ZINC000195285900 209335485 /nfs/dbraw/zinc/33/54/85/209335485.db2.gz RSXNTPBNWZJASD-MRXNPFEDSA-N 2 2 357.458 0.433 10 0 FCAELP Cn1c(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cc(=O)n(C)c1=O ZINC000195285900 209335489 /nfs/dbraw/zinc/33/54/89/209335489.db2.gz RSXNTPBNWZJASD-MRXNPFEDSA-N 2 2 357.458 0.433 10 0 FCAELP Cn1c(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc(=O)n(C)c1=O ZINC000195285900 209335495 /nfs/dbraw/zinc/33/54/95/209335495.db2.gz RSXNTPBNWZJASD-MRXNPFEDSA-N 2 2 357.458 0.433 10 0 FCAELP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)NCCCN3CCCCCC3=O)C2)C1 ZINC000368352614 216236948 /nfs/dbraw/zinc/23/69/48/216236948.db2.gz UKYHDFBDPZEJBW-IBGZPJMESA-N 2 2 350.507 0.923 10 0 FCAELP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)NCCCN3CCCCCC3=O)C2)C1 ZINC000368352614 216236949 /nfs/dbraw/zinc/23/69/49/216236949.db2.gz UKYHDFBDPZEJBW-IBGZPJMESA-N 2 2 350.507 0.923 10 0 FCAELP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)NCCCN3CCCCCC3=O)C2)C1 ZINC000368352614 216236951 /nfs/dbraw/zinc/23/69/51/216236951.db2.gz UKYHDFBDPZEJBW-IBGZPJMESA-N 2 2 350.507 0.923 10 0 FCAELP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)NCCCN3CCCCCC3=O)C2)C1 ZINC000368352614 216236952 /nfs/dbraw/zinc/23/69/52/216236952.db2.gz UKYHDFBDPZEJBW-IBGZPJMESA-N 2 2 350.507 0.923 10 0 FCAELP CN(C(=O)NCCCN1CCCC1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368924188 216319277 /nfs/dbraw/zinc/31/92/77/216319277.db2.gz IJIHOPAMPWKEQR-QGZVFWFLSA-N 2 2 365.522 0.809 10 0 FCAELP CN(C(=O)NCCCN1CCCC1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368924188 216319280 /nfs/dbraw/zinc/31/92/80/216319280.db2.gz IJIHOPAMPWKEQR-QGZVFWFLSA-N 2 2 365.522 0.809 10 0 FCAELP 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C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCN(C)C(=O)C1 ZINC000191159425 209282695 /nfs/dbraw/zinc/28/26/95/209282695.db2.gz VJRNOHLZHPNVMQ-WMZOPIPTSA-N 2 2 358.486 0.930 10 0 FCAELP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCN(C)C(=O)C1 ZINC000191159425 209282699 /nfs/dbraw/zinc/28/26/99/209282699.db2.gz VJRNOHLZHPNVMQ-WMZOPIPTSA-N 2 2 358.486 0.930 10 0 FCAELP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCN(C)C(=O)C1 ZINC000191159425 209282703 /nfs/dbraw/zinc/28/27/03/209282703.db2.gz VJRNOHLZHPNVMQ-WMZOPIPTSA-N 2 2 358.486 0.930 10 0 FCAELP CNC(=O)c1cncc(/C=C/C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000369278469 216377238 /nfs/dbraw/zinc/37/72/38/216377238.db2.gz RCIACISZYYUYSU-IDOMTICXSA-N 2 2 371.485 0.739 10 0 FCAELP CNC(=O)c1cncc(/C=C/C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000369278469 216377239 /nfs/dbraw/zinc/37/72/39/216377239.db2.gz RCIACISZYYUYSU-IDOMTICXSA-N 2 2 371.485 0.739 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc4c(cn3)nc[nH]c4=O)CC2)CC1 ZINC000188834416 209240811 /nfs/dbraw/zinc/24/08/11/209240811.db2.gz FOAXHOHBJBUKOE-UHFFFAOYSA-N 2 2 370.457 0.607 10 0 FCAELP C[C@]1(C(N)=O)CCCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000185910997 209183666 /nfs/dbraw/zinc/18/36/66/209183666.db2.gz IMJRFEJNZWBJIF-LJQANCHMSA-N 2 2 359.474 0.850 10 0 FCAELP C[C@]1(C(N)=O)CCCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000185910997 209183668 /nfs/dbraw/zinc/18/36/68/209183668.db2.gz IMJRFEJNZWBJIF-LJQANCHMSA-N 2 2 359.474 0.850 10 0 FCAELP C[NH+](C)C1CC[NH+](CCNC(=O)NC2(CO)Cc3ccccc3C2)CC1 ZINC000373826101 217064552 /nfs/dbraw/zinc/06/45/52/217064552.db2.gz MHDOPGWYDMLXDP-UHFFFAOYSA-N 2 2 360.502 0.842 10 0 FCAELP CN(C)c1cc[nH+]cc1C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000183270236 209145000 /nfs/dbraw/zinc/14/50/00/209145000.db2.gz CIYAMKSFFPCZCI-UHFFFAOYSA-N 2 2 366.429 0.787 10 0 FCAELP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)CC1 ZINC000375658862 217295998 /nfs/dbraw/zinc/29/59/98/217295998.db2.gz DEEDNBWRQGOWGM-INIZCTEOSA-N 2 2 374.551 0.331 10 0 FCAELP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)CC1 ZINC000375658862 217296001 /nfs/dbraw/zinc/29/60/01/217296001.db2.gz DEEDNBWRQGOWGM-INIZCTEOSA-N 2 2 374.551 0.331 10 0 FCAELP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000418887021 245890329 /nfs/dbraw/zinc/89/03/29/245890329.db2.gz MEEZUYDENUQXSA-HNNXBMFYSA-N 2 2 357.414 0.181 10 0 FCAELP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCc2nc(C[NH+](C)C)cs2)CC1 ZINC000931659651 674128201 /nfs/dbraw/zinc/12/82/01/674128201.db2.gz ZMONSMSVJHWRAT-UHFFFAOYSA-N 2 2 367.519 0.764 10 0 FCAELP CC(C)[N@H+]1CCCN(C(=O)C(=O)NCc2nc(C[NH+](C)C)cs2)CC1 ZINC000931659651 674128203 /nfs/dbraw/zinc/12/82/03/674128203.db2.gz ZMONSMSVJHWRAT-UHFFFAOYSA-N 2 2 367.519 0.764 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000419384989 246126601 /nfs/dbraw/zinc/12/66/01/246126601.db2.gz BOPUMGVEHSNAJQ-MRXNPFEDSA-N 2 2 359.474 0.754 10 0 FCAELP C[N@@H+]1CCO[C@H]([C@H](NC(=O)C(=O)NCCC[NH3+])c2ccc(Cl)cc2)C1 ZINC000419396845 246133493 /nfs/dbraw/zinc/13/34/93/246133493.db2.gz WMLYBGSLDZZKHE-LSDHHAIUSA-N 2 2 368.865 0.293 10 0 FCAELP C[N@H+]1CCO[C@H]([C@H](NC(=O)C(=O)NCCC[NH3+])c2ccc(Cl)cc2)C1 ZINC000419396845 246133498 /nfs/dbraw/zinc/13/34/98/246133498.db2.gz WMLYBGSLDZZKHE-LSDHHAIUSA-N 2 2 368.865 0.293 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C[C@@H](C)[NH2+]1 ZINC000419650198 246231940 /nfs/dbraw/zinc/23/19/40/246231940.db2.gz UREVPDUUCJCQBJ-HUUCEWRRSA-N 2 2 355.442 0.756 10 0 FCAELP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000419663734 246235680 /nfs/dbraw/zinc/23/56/80/246235680.db2.gz QJRMEKRAXZCCCK-NSHDSACASA-N 2 2 361.368 0.662 10 0 FCAELP C[C@H](C[NH3+])CNC(=O)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000419713151 246266012 /nfs/dbraw/zinc/26/60/12/246266012.db2.gz QNLWGJBYSWQWHF-GFCCVEGCSA-N 2 2 352.866 0.525 10 0 FCAELP C[C@H](C[NH3+])CNC(=O)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000419713151 246266016 /nfs/dbraw/zinc/26/60/16/246266016.db2.gz QNLWGJBYSWQWHF-GFCCVEGCSA-N 2 2 352.866 0.525 10 0 FCAELP [NH3+]C1(CNC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CCCCC1 ZINC000419801466 246299668 /nfs/dbraw/zinc/29/96/68/246299668.db2.gz JRKNKTGPLVCMMX-MRXNPFEDSA-N 2 2 366.506 0.478 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)NCC3([NH3+])CCCCC3)CC2)cc[nH+]1 ZINC000419805182 246301925 /nfs/dbraw/zinc/30/19/25/246301925.db2.gz PUARMYCFEWOCMG-UHFFFAOYSA-N 2 2 360.462 0.211 10 0 FCAELP [NH3+][C@@H](CNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000419739285 246277745 /nfs/dbraw/zinc/27/77/45/246277745.db2.gz ZHEWSEVHMSCYEA-CVEARBPZSA-N 2 2 353.426 0.593 10 0 FCAELP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)NCCC[NH2+]C)CC2)s1 ZINC000419840222 246315194 /nfs/dbraw/zinc/31/51/94/246315194.db2.gz CRWTVXHBOXYGBM-UHFFFAOYSA-N 2 2 352.504 0.680 10 0 FCAELP [NH3+][C@@H](CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000419933339 246376629 /nfs/dbraw/zinc/37/66/29/246376629.db2.gz 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0 FCAELP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C)C1 ZINC000297936748 489265725 /nfs/dbraw/zinc/26/57/25/489265725.db2.gz DYSXAUPLMFEYSL-IAGOWNOFSA-N 2 2 373.501 0.919 10 0 FCAELP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000369858571 489282477 /nfs/dbraw/zinc/28/24/77/489282477.db2.gz KLLKPEQCARVVCX-OKZBNKHCSA-N 2 2 366.506 0.746 10 0 FCAELP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000369858571 489282480 /nfs/dbraw/zinc/28/24/80/489282480.db2.gz KLLKPEQCARVVCX-OKZBNKHCSA-N 2 2 366.506 0.746 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCOCC2)[C@@H]1c1ccccc1 ZINC000283680658 489290802 /nfs/dbraw/zinc/29/08/02/489290802.db2.gz WEQXSEIOQOPLJA-MSOLQXFVSA-N 2 2 374.485 0.387 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCOCC2)[C@@H]1c1ccccc1 ZINC000283680658 489290805 /nfs/dbraw/zinc/29/08/05/489290805.db2.gz WEQXSEIOQOPLJA-MSOLQXFVSA-N 2 2 374.485 0.387 10 0 FCAELP CC[N@@H+]1CCO[C@H](C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000369926489 489293698 /nfs/dbraw/zinc/29/36/98/489293698.db2.gz JDFTYNTVNGOCKP-KRWDZBQOSA-N 2 2 366.506 0.110 10 0 FCAELP CC[N@H+]1CCO[C@H](C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000369926489 489293702 /nfs/dbraw/zinc/29/37/02/489293702.db2.gz JDFTYNTVNGOCKP-KRWDZBQOSA-N 2 2 366.506 0.110 10 0 FCAELP C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000370186816 489325373 /nfs/dbraw/zinc/32/53/73/489325373.db2.gz XBLYUJNGJKKAIZ-AIANPOQGSA-N 2 2 363.506 0.463 10 0 FCAELP C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000370186816 489325375 /nfs/dbraw/zinc/32/53/75/489325375.db2.gz XBLYUJNGJKKAIZ-AIANPOQGSA-N 2 2 363.506 0.463 10 0 FCAELP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3cn4c([nH+]3)CCCC4)CC[C@H]21 ZINC000285944669 489336556 /nfs/dbraw/zinc/33/65/56/489336556.db2.gz IDGYNYCSXVFMQQ-GOEBONIOSA-N 2 2 359.474 0.778 10 0 FCAELP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3cn4c([nH+]3)CCCC4)CC[C@H]21 ZINC000285944669 489336560 /nfs/dbraw/zinc/33/65/60/489336560.db2.gz IDGYNYCSXVFMQQ-GOEBONIOSA-N 2 2 359.474 0.778 10 0 FCAELP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000416300258 489579760 /nfs/dbraw/zinc/57/97/60/489579760.db2.gz SZUYFGRAXZSZQW-RBUKOAKNSA-N 2 2 374.529 0.718 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000416300258 489579762 /nfs/dbraw/zinc/57/97/62/489579762.db2.gz SZUYFGRAXZSZQW-RBUKOAKNSA-N 2 2 374.529 0.718 10 0 FCAELP CC[NH+]1CCN(CCNC(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1 ZINC000372542205 489597009 /nfs/dbraw/zinc/59/70/09/489597009.db2.gz FOIYVOIKROXFSL-UHFFFAOYSA-N 2 2 362.522 0.386 10 0 FCAELP CC[NH+](CC)CCS(=O)(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000416552829 489609036 /nfs/dbraw/zinc/60/90/36/489609036.db2.gz WQSSBIOAGRKDBU-UHFFFAOYSA-N 2 2 363.524 0.129 10 0 FCAELP C[C@H]1C[N@H+](CCO)CCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000457115461 489636481 /nfs/dbraw/zinc/63/64/81/489636481.db2.gz IGHHKEVOBLJETL-KRWDZBQOSA-N 2 2 360.502 0.573 10 0 FCAELP C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000457115461 489636484 /nfs/dbraw/zinc/63/64/84/489636484.db2.gz IGHHKEVOBLJETL-KRWDZBQOSA-N 2 2 360.502 0.573 10 0 FCAELP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000417710311 489662277 /nfs/dbraw/zinc/66/22/77/489662277.db2.gz PEBROMKUEWSDHG-QGZVFWFLSA-N 2 2 367.538 0.946 10 0 FCAELP C[C@H](CCCC[NH3+])NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000417719652 489663014 /nfs/dbraw/zinc/66/30/14/489663014.db2.gz WWEOEQMQIWQLKH-OAHLLOKOSA-N 2 2 353.511 0.747 10 0 FCAELP C[NH+](C)CC(C)(C)NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000458417276 489682184 /nfs/dbraw/zinc/68/21/84/489682184.db2.gz FKSMZCRYLZYVCR-UHFFFAOYSA-N 2 2 353.511 0.570 10 0 FCAELP COc1cc(C[NH+]2CCN(C(=O)NCCC[NH3+])CC2)cc(OC)c1OC ZINC000418362959 489694308 /nfs/dbraw/zinc/69/43/08/489694308.db2.gz VJGYTOUOAFYMNH-UHFFFAOYSA-N 2 2 366.462 0.888 10 0 FCAELP C[C@@H](NC(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1)[C@H](C)[NH3+] ZINC000418709097 489719812 /nfs/dbraw/zinc/71/98/12/489719812.db2.gz URFHZQMGIDQQHN-UONOGXRCSA-N 2 2 365.453 0.618 10 0 FCAELP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000418795256 489728144 /nfs/dbraw/zinc/72/81/44/489728144.db2.gz CFPCTLJMQWDODP-RYUDHWBXSA-N 2 2 354.401 0.509 10 0 FCAELP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000418795256 489728148 /nfs/dbraw/zinc/72/81/48/489728148.db2.gz CFPCTLJMQWDODP-RYUDHWBXSA-N 2 2 354.401 0.509 10 0 FCAELP [NH3+]CCCNC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000418793956 489728503 /nfs/dbraw/zinc/72/85/03/489728503.db2.gz AYORNPULTBLSHG-GFCCVEGCSA-N 2 2 354.401 0.510 10 0 FCAELP [NH3+]CCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000418793956 489728505 /nfs/dbraw/zinc/72/85/05/489728505.db2.gz AYORNPULTBLSHG-GFCCVEGCSA-N 2 2 354.401 0.510 10 0 FCAELP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000418809402 489734051 /nfs/dbraw/zinc/73/40/51/489734051.db2.gz SQBJBUJOUANTJG-CHWSQXEVSA-N 2 2 368.428 0.756 10 0 FCAELP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000418809402 489734053 /nfs/dbraw/zinc/73/40/53/489734053.db2.gz SQBJBUJOUANTJG-CHWSQXEVSA-N 2 2 368.428 0.756 10 0 FCAELP O=C(C[N@H+]1CCC[C@@](O)(CO)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000459625855 489742754 /nfs/dbraw/zinc/74/27/54/489742754.db2.gz BJJUDJYSMHRKRQ-KRWDZBQOSA-N 2 2 353.488 0.212 10 0 FCAELP O=C(C[N@@H+]1CCC[C@@](O)(CO)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000459625855 489742761 /nfs/dbraw/zinc/74/27/61/489742761.db2.gz BJJUDJYSMHRKRQ-KRWDZBQOSA-N 2 2 353.488 0.212 10 0 FCAELP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418833788 489745828 /nfs/dbraw/zinc/74/58/28/489745828.db2.gz NQZASTRQLKVYMA-NXHRZFHOSA-N 2 2 374.485 0.118 10 0 FCAELP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418833788 489745830 /nfs/dbraw/zinc/74/58/30/489745830.db2.gz NQZASTRQLKVYMA-NXHRZFHOSA-N 2 2 374.485 0.118 10 0 FCAELP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000418865955 489764817 /nfs/dbraw/zinc/76/48/17/489764817.db2.gz MADGSXJRRHMWPJ-HIFRSBDPSA-N 2 2 372.391 0.820 10 0 FCAELP CC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000418865955 489764822 /nfs/dbraw/zinc/76/48/22/489764822.db2.gz MADGSXJRRHMWPJ-HIFRSBDPSA-N 2 2 372.391 0.820 10 0 FCAELP Cc1cc(C)c(CNC(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)c[nH+]1 ZINC000418889790 489777705 /nfs/dbraw/zinc/77/77/05/489777705.db2.gz QWWGLCYLBVBYAI-KRWDZBQOSA-N 2 2 353.426 0.883 10 0 FCAELP O=C(NCc1cn2ccccc2[nH+]1)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000418900226 489782528 /nfs/dbraw/zinc/78/25/28/489782528.db2.gz OZSDMKDPIMRJOF-INIZCTEOSA-N 2 2 364.409 0.519 10 0 FCAELP C[NH2+]CCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418911591 489787485 /nfs/dbraw/zinc/78/74/85/489787485.db2.gz QLPSNRUNHTVDAX-GJZGRUSLSA-N 2 2 354.401 0.504 10 0 FCAELP C[NH2+]CCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418911591 489787491 /nfs/dbraw/zinc/78/74/91/489787491.db2.gz QLPSNRUNHTVDAX-GJZGRUSLSA-N 2 2 354.401 0.504 10 0 FCAELP C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418914076 489788392 /nfs/dbraw/zinc/78/83/92/489788392.db2.gz SWCRJVLDMIEMKO-HZPDHXFCSA-N 2 2 368.428 0.894 10 0 FCAELP C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418914076 489788398 /nfs/dbraw/zinc/78/83/98/489788398.db2.gz SWCRJVLDMIEMKO-HZPDHXFCSA-N 2 2 368.428 0.894 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)[C@H](C)C[NH2+]1 ZINC000418916282 489790029 /nfs/dbraw/zinc/79/00/29/489790029.db2.gz RILRORRIYQUJOA-HZPDHXFCSA-N 2 2 374.485 0.344 10 0 FCAELP C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418916139 489790185 /nfs/dbraw/zinc/79/01/85/489790185.db2.gz WHDLTTWVSJRVPL-BIGNPOOSSA-N 2 2 356.829 0.804 10 0 FCAELP C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418916139 489790188 /nfs/dbraw/zinc/79/01/88/489790188.db2.gz WHDLTTWVSJRVPL-BIGNPOOSSA-N 2 2 356.829 0.804 10 0 FCAELP O=C(CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)NCC[NH+]1CCCCCC1 ZINC000431370474 489802673 /nfs/dbraw/zinc/80/26/73/489802673.db2.gz QZTKOFMXHKPBLV-AWEZNQCLSA-N 2 2 362.478 0.558 10 0 FCAELP O=C(CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)NCC[NH+]1CCCCCC1 ZINC000431370474 489802676 /nfs/dbraw/zinc/80/26/76/489802676.db2.gz QZTKOFMXHKPBLV-AWEZNQCLSA-N 2 2 362.478 0.558 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000459996147 489812752 /nfs/dbraw/zinc/81/27/52/489812752.db2.gz PRMBUAUKJGOXIT-QGZVFWFLSA-N 2 2 373.501 0.839 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000459996147 489812754 /nfs/dbraw/zinc/81/27/54/489812754.db2.gz PRMBUAUKJGOXIT-QGZVFWFLSA-N 2 2 373.501 0.839 10 0 FCAELP CNc1nc(C)cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n1 ZINC000376890425 489813106 /nfs/dbraw/zinc/81/31/06/489813106.db2.gz XTUKWIYVSVNWFU-UHFFFAOYSA-N 2 2 360.506 1.507 10 0 FCAELP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000419071050 489845504 /nfs/dbraw/zinc/84/55/04/489845504.db2.gz IFZLWLOROMILNT-DAXOMENPSA-N 2 2 373.432 0.879 10 0 FCAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000419113173 489860548 /nfs/dbraw/zinc/86/05/48/489860548.db2.gz QKXNNSAKIOTISN-NVXWUHKLSA-N 2 2 355.442 0.836 10 0 FCAELP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000419123289 489867388 /nfs/dbraw/zinc/86/73/88/489867388.db2.gz YEVQAHBABXAQLA-OCCSQVGLSA-N 2 2 359.430 0.222 10 0 FCAELP CC[NH+](CC)CCS(=O)(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000555947979 491285073 /nfs/dbraw/zinc/28/50/73/491285073.db2.gz MWBVBICZYHJWCO-UHFFFAOYSA-N 2 2 356.492 0.679 10 0 FCAELP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000420074484 489903197 /nfs/dbraw/zinc/90/31/97/489903197.db2.gz ZOXLHUHQJDTPRS-GVDBMIGSSA-N 2 2 366.506 0.333 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)c2cnn(C)c2)CC1 ZINC000494804440 489914447 /nfs/dbraw/zinc/91/44/47/489914447.db2.gz COIBUJXRCBFELV-APWZRJJASA-N 2 2 371.485 0.949 10 0 FCAELP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000420108353 489914570 /nfs/dbraw/zinc/91/45/70/489914570.db2.gz CDXWZYLLQANHDZ-BFYDXBDKSA-N 2 2 359.474 0.401 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(OCCC(=O)NC)CC2)CC1 ZINC000494932190 489920543 /nfs/dbraw/zinc/92/05/43/489920543.db2.gz QAUDHXALPMVWLZ-HNNXBMFYSA-N 2 2 354.495 0.156 10 0 FCAELP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000420128830 489922390 /nfs/dbraw/zinc/92/23/90/489922390.db2.gz WKAPPUGBEOBPCL-DOTOQJQBSA-N 2 2 374.485 0.454 10 0 FCAELP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000420130520 489924066 /nfs/dbraw/zinc/92/40/66/489924066.db2.gz QLFNVJDJXSDBQY-YJBOKZPZSA-N 2 2 374.485 0.646 10 0 FCAELP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000420140578 489927443 /nfs/dbraw/zinc/92/74/43/489927443.db2.gz XWQAKPXQGLHKOV-AWEZNQCLSA-N 2 2 370.457 0.390 10 0 FCAELP CC[NH+]1CCN(CC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000462061273 489954061 /nfs/dbraw/zinc/95/40/61/489954061.db2.gz QGASVQZPEKNTCM-UHFFFAOYSA-N 2 2 373.545 0.558 10 0 FCAELP CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420402473 489972886 /nfs/dbraw/zinc/97/28/86/489972886.db2.gz QLEYMYXPEAKIDB-UKRRQHHQSA-N 2 2 363.462 0.999 10 0 FCAELP CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420402473 489972887 /nfs/dbraw/zinc/97/28/87/489972887.db2.gz QLEYMYXPEAKIDB-UKRRQHHQSA-N 2 2 363.462 0.999 10 0 FCAELP CCC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000477616058 489977188 /nfs/dbraw/zinc/97/71/88/489977188.db2.gz NAIOZPQOQCVPIA-MRXNPFEDSA-N 2 2 361.490 0.974 10 0 FCAELP CCC[NH+]1CCC(CNC(=O)C(=O)N2CC[NH+](CCOCC)CC2)CC1 ZINC000477679479 489983922 /nfs/dbraw/zinc/98/39/22/489983922.db2.gz PNWHWHNYIGZWIA-UHFFFAOYSA-N 2 2 368.522 0.405 10 0 FCAELP CCC[NH+]1CCC(CNC(=O)C(=O)N2CC[NH+](CCOC)CC2)CC1 ZINC000477704751 489986521 /nfs/dbraw/zinc/98/65/21/489986521.db2.gz SOBZYXXTVUKOJK-UHFFFAOYSA-N 2 2 354.495 0.015 10 0 FCAELP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000435507200 490004705 /nfs/dbraw/zinc/00/47/05/490004705.db2.gz KKQUAKBDCVXSSU-BRWVUGGUSA-N 2 2 356.511 0.584 10 0 FCAELP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000378154990 490019227 /nfs/dbraw/zinc/01/92/27/490019227.db2.gz WZXOWMPVFHUXFR-KZNAEPCWSA-N 2 2 366.506 0.746 10 0 FCAELP NS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420942898 490033750 /nfs/dbraw/zinc/03/37/50/490033750.db2.gz VWNBMPFCAXEFEB-KRWDZBQOSA-N 2 2 353.488 0.772 10 0 FCAELP NS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420942898 490033754 /nfs/dbraw/zinc/03/37/54/490033754.db2.gz VWNBMPFCAXEFEB-KRWDZBQOSA-N 2 2 353.488 0.772 10 0 FCAELP COc1cc[nH+]c(N2CCN(C(=O)C3([NH+]4CCOCC4)CCC3)CC2)c1 ZINC000378379070 490058248 /nfs/dbraw/zinc/05/82/48/490058248.db2.gz RSTXNDQUVLHCNH-UHFFFAOYSA-N 2 2 360.458 0.994 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000421515610 490083753 /nfs/dbraw/zinc/08/37/53/490083753.db2.gz AUOVIKDWVFISJF-UHFFFAOYSA-N 2 2 355.442 0.253 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)c1 ZINC000421515610 490083758 /nfs/dbraw/zinc/08/37/58/490083758.db2.gz AUOVIKDWVFISJF-UHFFFAOYSA-N 2 2 355.442 0.253 10 0 FCAELP CN(C)c1nc(N2CC[NH+](C[C@H](O)COC[C@H]3CCCO3)CC2)cc[nH+]1 ZINC000532732163 490101433 /nfs/dbraw/zinc/10/14/33/490101433.db2.gz ORGXOIULRSYDCG-JKSUJKDBSA-N 2 2 365.478 0.221 10 0 FCAELP Cc1[nH+]c2cc(NC(=O)C(=O)NC[C@@H]3CCCC[N@@H+]3CCO)ccc2n1C ZINC000571376549 491303631 /nfs/dbraw/zinc/30/36/31/491303631.db2.gz OTPBCJWGGKFJQD-HNNXBMFYSA-N 2 2 373.457 0.783 10 0 FCAELP Cc1[nH+]c2cc(NC(=O)C(=O)NC[C@@H]3CCCC[N@H+]3CCO)ccc2n1C ZINC000571376549 491303632 /nfs/dbraw/zinc/30/36/32/491303632.db2.gz OTPBCJWGGKFJQD-HNNXBMFYSA-N 2 2 373.457 0.783 10 0 FCAELP CC[NH+](CC)C[C@@H](C)NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000497462561 490164674 /nfs/dbraw/zinc/16/46/74/490164674.db2.gz BXBZBLAQHKCSBL-MRXNPFEDSA-N 2 2 367.538 0.960 10 0 FCAELP O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000520583376 490166090 /nfs/dbraw/zinc/16/60/90/490166090.db2.gz NXWBQJRJRXKDKJ-HUUCEWRRSA-N 2 2 361.442 0.080 10 0 FCAELP O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000520583376 490166096 /nfs/dbraw/zinc/16/60/96/490166096.db2.gz NXWBQJRJRXKDKJ-HUUCEWRRSA-N 2 2 361.442 0.080 10 0 FCAELP C[C@H]([C@H](C)NC(=O)C(=O)NCc1ccc2c[nH+]cn2c1)[NH+]1CCOCC1 ZINC000422302855 490244008 /nfs/dbraw/zinc/24/40/08/490244008.db2.gz YVGJLAGNIQWQBX-UONOGXRCSA-N 2 2 359.430 0.176 10 0 FCAELP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000521624817 490283341 /nfs/dbraw/zinc/28/33/41/490283341.db2.gz BTSQHMFBIARLBP-ZBFHGGJFSA-N 2 2 353.426 0.399 10 0 FCAELP C[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H]3CC(=O)N(C4CC4)C3=O)CC2)CC1 ZINC000521797528 490299002 /nfs/dbraw/zinc/29/90/02/490299002.db2.gz YQQDEQWNKRHZRU-MRXNPFEDSA-N 2 2 362.474 0.152 10 0 FCAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCCC[C@H]2[C@H]2CNC(=O)C2)CC1 ZINC000534277608 490340161 /nfs/dbraw/zinc/34/01/61/490340161.db2.gz KPHXMSJNNGVLJC-WBVHZDCISA-N 2 2 365.522 0.713 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)NCCc2cn(C)c[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000422481547 490349299 /nfs/dbraw/zinc/34/92/99/490349299.db2.gz WVJRKOZYQUYQHY-INIZCTEOSA-N 2 2 369.469 0.812 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)NCCc2cn(C)c[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000422481547 490349306 /nfs/dbraw/zinc/34/93/06/490349306.db2.gz WVJRKOZYQUYQHY-INIZCTEOSA-N 2 2 369.469 0.812 10 0 FCAELP CO[C@@H]1COC[C@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000571638070 491319980 /nfs/dbraw/zinc/31/99/80/491319980.db2.gz HVUHFNBZTOWSMG-HZPDHXFCSA-N 2 2 354.495 0.650 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000422495682 490357980 /nfs/dbraw/zinc/35/79/80/490357980.db2.gz SSCNENPBDOLOGM-QGZVFWFLSA-N 2 2 373.501 0.887 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000422495682 490357988 /nfs/dbraw/zinc/35/79/88/490357988.db2.gz SSCNENPBDOLOGM-QGZVFWFLSA-N 2 2 373.501 0.887 10 0 FCAELP COc1cc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)nn1C ZINC000548079911 490417519 /nfs/dbraw/zinc/41/75/19/490417519.db2.gz QVIOGJHBEBXSPX-UHFFFAOYSA-N 2 2 350.467 1.109 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000535313033 490477691 /nfs/dbraw/zinc/47/76/91/490477691.db2.gz KCIABPNMWQQQBE-IRXDYDNUSA-N 3 2 363.506 0.682 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000535313033 490477699 /nfs/dbraw/zinc/47/76/99/490477699.db2.gz KCIABPNMWQQQBE-IRXDYDNUSA-N 3 2 363.506 0.682 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000535313033 490477705 /nfs/dbraw/zinc/47/77/05/490477705.db2.gz KCIABPNMWQQQBE-IRXDYDNUSA-N 3 2 363.506 0.682 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000535313033 490477711 /nfs/dbraw/zinc/47/77/11/490477711.db2.gz KCIABPNMWQQQBE-IRXDYDNUSA-N 3 2 363.506 0.682 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](c3nccn3C)C2)C1 ZINC000535313033 490477717 /nfs/dbraw/zinc/47/77/17/490477717.db2.gz KCIABPNMWQQQBE-IRXDYDNUSA-N 2 2 363.506 0.682 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](c3nccn3C)C2)C1 ZINC000535313033 490477724 /nfs/dbraw/zinc/47/77/24/490477724.db2.gz KCIABPNMWQQQBE-IRXDYDNUSA-N 2 2 363.506 0.682 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@H](c3nccn3C)C2)C1 ZINC000535313033 490477729 /nfs/dbraw/zinc/47/77/29/490477729.db2.gz KCIABPNMWQQQBE-IRXDYDNUSA-N 2 2 363.506 0.682 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@H](c3nccn3C)C2)C1 ZINC000535313033 490477735 /nfs/dbraw/zinc/47/77/35/490477735.db2.gz KCIABPNMWQQQBE-IRXDYDNUSA-N 2 2 363.506 0.682 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000535313036 490477855 /nfs/dbraw/zinc/47/78/55/490477855.db2.gz KCIABPNMWQQQBE-SJORKVTESA-N 3 2 363.506 0.682 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000535313036 490477863 /nfs/dbraw/zinc/47/78/63/490477863.db2.gz KCIABPNMWQQQBE-SJORKVTESA-N 3 2 363.506 0.682 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000535313036 490477873 /nfs/dbraw/zinc/47/78/73/490477873.db2.gz KCIABPNMWQQQBE-SJORKVTESA-N 3 2 363.506 0.682 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000535313036 490477877 /nfs/dbraw/zinc/47/78/77/490477877.db2.gz KCIABPNMWQQQBE-SJORKVTESA-N 3 2 363.506 0.682 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@H](c3nccn3C)C2)C1 ZINC000535313036 490477883 /nfs/dbraw/zinc/47/78/83/490477883.db2.gz KCIABPNMWQQQBE-SJORKVTESA-N 2 2 363.506 0.682 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@H](c3nccn3C)C2)C1 ZINC000535313036 490477892 /nfs/dbraw/zinc/47/78/92/490477892.db2.gz KCIABPNMWQQQBE-SJORKVTESA-N 2 2 363.506 0.682 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](c3nccn3C)C2)C1 ZINC000535313036 490477898 /nfs/dbraw/zinc/47/78/98/490477898.db2.gz KCIABPNMWQQQBE-SJORKVTESA-N 2 2 363.506 0.682 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@@H](c3nccn3C)C2)C1 ZINC000535313036 490477905 /nfs/dbraw/zinc/47/79/05/490477905.db2.gz KCIABPNMWQQQBE-SJORKVTESA-N 2 2 363.506 0.682 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000535313011 490478317 /nfs/dbraw/zinc/47/83/17/490478317.db2.gz KCIABPNMWQQQBE-DLBZAZTESA-N 3 2 363.506 0.682 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000535313011 490478320 /nfs/dbraw/zinc/47/83/20/490478320.db2.gz KCIABPNMWQQQBE-DLBZAZTESA-N 3 2 363.506 0.682 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000535313011 490478324 /nfs/dbraw/zinc/47/83/24/490478324.db2.gz KCIABPNMWQQQBE-DLBZAZTESA-N 3 2 363.506 0.682 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000535313011 490478330 /nfs/dbraw/zinc/47/83/30/490478330.db2.gz KCIABPNMWQQQBE-DLBZAZTESA-N 3 2 363.506 0.682 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](c3nccn3C)C2)C1 ZINC000535313011 490478334 /nfs/dbraw/zinc/47/83/34/490478334.db2.gz KCIABPNMWQQQBE-DLBZAZTESA-N 2 2 363.506 0.682 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](c3nccn3C)C2)C1 ZINC000535313011 490478337 /nfs/dbraw/zinc/47/83/37/490478337.db2.gz KCIABPNMWQQQBE-DLBZAZTESA-N 2 2 363.506 0.682 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H](c3nccn3C)C2)C1 ZINC000535313011 490478342 /nfs/dbraw/zinc/47/83/42/490478342.db2.gz KCIABPNMWQQQBE-DLBZAZTESA-N 2 2 363.506 0.682 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H](c3nccn3C)C2)C1 ZINC000535313011 490478344 /nfs/dbraw/zinc/47/83/44/490478344.db2.gz KCIABPNMWQQQBE-DLBZAZTESA-N 2 2 363.506 0.682 10 0 FCAELP c1cc(N2CCN(CCC[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)CC2)cc[nH+]1 ZINC000422843100 490484318 /nfs/dbraw/zinc/48/43/18/490484318.db2.gz HASBATVCYQAAGC-PMACEKPBSA-N 3 2 359.518 0.950 10 0 FCAELP CS(=O)(=O)c1ccc(OCC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422862963 490487827 /nfs/dbraw/zinc/48/78/27/490487827.db2.gz QVFJKSQFLBAXJB-SJORKVTESA-N 2 2 354.472 0.826 10 0 FCAELP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000556728058 491331015 /nfs/dbraw/zinc/33/10/15/491331015.db2.gz GUJCWTSRYUYRDU-MRXNPFEDSA-N 2 2 361.490 0.754 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000556728058 491331016 /nfs/dbraw/zinc/33/10/16/491331016.db2.gz GUJCWTSRYUYRDU-MRXNPFEDSA-N 2 2 361.490 0.754 10 0 FCAELP O=S(=O)(CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)NCc1ccccc1 ZINC000422933555 490501671 /nfs/dbraw/zinc/50/16/71/490501671.db2.gz IAYAQQOUKAEXFA-SJORKVTESA-N 2 2 353.488 0.463 10 0 FCAELP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422953081 490504553 /nfs/dbraw/zinc/50/45/53/490504553.db2.gz CYILUYBFVVTHQN-UHFFFAOYSA-N 2 2 371.416 0.982 10 0 FCAELP Cc1cc(S(=O)(=O)NCC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c(C)s1 ZINC000422997827 490514046 /nfs/dbraw/zinc/51/40/46/490514046.db2.gz OQEDOIRSFAEQGF-ZBFHGGJFSA-N 2 2 373.544 1.000 10 0 FCAELP C[NH2+]C1CCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000423013542 490518608 /nfs/dbraw/zinc/51/86/08/490518608.db2.gz GBCYUHIWRGHZOU-UHFFFAOYSA-N 2 2 350.488 0.603 10 0 FCAELP C[NH+]1CCC(CNC(=O)CN2CCCNC2=O)([NH+]2CCCCC2)CC1 ZINC000525164676 490579719 /nfs/dbraw/zinc/57/97/19/490579719.db2.gz CYLGJZQQXOXRBQ-UHFFFAOYSA-N 2 2 351.495 0.468 10 0 FCAELP C[NH+]1CCN(c2cccc(C(=O)N3CCC[C@@H]3C[NH+]3CCOCC3)n2)CC1 ZINC000536600515 490596699 /nfs/dbraw/zinc/59/66/99/490596699.db2.gz BERIPOQNAPRPND-QGZVFWFLSA-N 2 2 373.501 0.770 10 0 FCAELP O=C(NCCNc1cc[nH+]cc1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000501370449 490598877 /nfs/dbraw/zinc/59/88/77/490598877.db2.gz IPVBKILBTNMITE-UHFFFAOYSA-N 2 2 359.434 0.266 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)NCC[N@H+]2CC=CCC2)C1=O ZINC000526980257 490690300 /nfs/dbraw/zinc/69/03/00/490690300.db2.gz NDPZEROGDJINGB-OAHLLOKOSA-N 2 2 360.462 0.472 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)NCC[N@@H+]2CC=CCC2)C1=O ZINC000526980257 490690303 /nfs/dbraw/zinc/69/03/03/490690303.db2.gz NDPZEROGDJINGB-OAHLLOKOSA-N 2 2 360.462 0.472 10 0 FCAELP Cn1cc(C[C@@H](O)C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cn1 ZINC000527046069 490694745 /nfs/dbraw/zinc/69/47/45/490694745.db2.gz HPKZPPJUZJVSPT-QGZVFWFLSA-N 2 2 363.506 0.390 10 0 FCAELP C[NH+]1CCC(CNC(=O)N2CC[C@](C)(C(N)=O)C2)([NH+]2CCCCC2)CC1 ZINC000527513748 490732172 /nfs/dbraw/zinc/73/21/72/490732172.db2.gz NSELRXZTUUCMJH-SFHVURJKSA-N 2 2 365.522 0.844 10 0 FCAELP Cc1c[nH+]cn1CC(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000528395509 490794321 /nfs/dbraw/zinc/79/43/21/490794321.db2.gz OGFQCDYZYZMCFA-UHFFFAOYSA-N 2 2 371.441 0.892 10 0 FCAELP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000528638188 490817011 /nfs/dbraw/zinc/81/70/11/490817011.db2.gz XWFGDHPRHQHCNW-OLMNPRSZSA-N 2 2 374.485 0.076 10 0 FCAELP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000528638188 490817014 /nfs/dbraw/zinc/81/70/14/490817014.db2.gz XWFGDHPRHQHCNW-OLMNPRSZSA-N 2 2 374.485 0.076 10 0 FCAELP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000515655141 490834893 /nfs/dbraw/zinc/83/48/93/490834893.db2.gz FGALDAZYILYUFY-PKOBYXMFSA-N 3 2 359.449 0.961 10 0 FCAELP O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000516056464 490847720 /nfs/dbraw/zinc/84/77/20/490847720.db2.gz URDKFJJFEIHBLR-HNNXBMFYSA-N 2 2 355.446 0.824 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCN4CCOC[C@H]4C3)CC2)CC1 ZINC000541821822 490873104 /nfs/dbraw/zinc/87/31/04/490873104.db2.gz UWJPHZUVHQAFOX-GOSISDBHSA-N 2 2 365.522 0.271 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N2CC[NH+](C3CC3)CC2)C1=O ZINC000542128594 490887180 /nfs/dbraw/zinc/88/71/80/490887180.db2.gz FARUSRXDNDIGIN-HNNXBMFYSA-N 2 2 360.462 0.401 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)N2CC[NH+](C3CC3)CC2)C1=O ZINC000542128596 490887202 /nfs/dbraw/zinc/88/72/02/490887202.db2.gz FARUSRXDNDIGIN-OAHLLOKOSA-N 2 2 360.462 0.401 10 0 FCAELP O=C(N1CC[NH2+]CC1)N1CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC000530244048 490895224 /nfs/dbraw/zinc/89/52/24/490895224.db2.gz VGHCXSZCBPVHDO-UHFFFAOYSA-N 2 2 355.446 0.410 10 0 FCAELP COCC[N@@H+]1CC[C@H]([NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000542468352 490898164 /nfs/dbraw/zinc/89/81/64/490898164.db2.gz QHUJLTMUVTXQRM-HNNXBMFYSA-N 2 2 352.479 0.942 10 0 FCAELP COCC[N@H+]1CC[C@H]([NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000542468352 490898167 /nfs/dbraw/zinc/89/81/67/490898167.db2.gz QHUJLTMUVTXQRM-HNNXBMFYSA-N 2 2 352.479 0.942 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(N4CCOCC4)CCC3)CC2)CC1 ZINC000542983811 490917729 /nfs/dbraw/zinc/91/77/29/490917729.db2.gz QRWKUKZDXNNPJV-UHFFFAOYSA-N 2 2 364.534 0.916 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)C3([NH+]4CCOCC4)CCC3)CC2)CC1 ZINC000542983811 490917732 /nfs/dbraw/zinc/91/77/32/490917732.db2.gz QRWKUKZDXNNPJV-UHFFFAOYSA-N 3 2 364.534 0.916 10 0 FCAELP [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000572354803 491364658 /nfs/dbraw/zinc/36/46/58/491364658.db2.gz CFAHCSXFHIVHKB-IRXDYDNUSA-N 2 2 364.490 0.038 10 0 FCAELP CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)CC1 ZINC000530926925 490932559 /nfs/dbraw/zinc/93/25/59/490932559.db2.gz HCXFQYIWGOHKMH-OAHLLOKOSA-N 2 2 373.457 0.735 10 0 FCAELP CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000565250531 491365407 /nfs/dbraw/zinc/36/54/07/491365407.db2.gz PUOPUAHJUWROTK-CYBMUJFWSA-N 2 2 368.428 0.853 10 0 FCAELP CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000565250531 491365409 /nfs/dbraw/zinc/36/54/09/491365409.db2.gz PUOPUAHJUWROTK-CYBMUJFWSA-N 2 2 368.428 0.853 10 0 FCAELP C[NH+]1CCC(CNC(=O)[C@@H](O)C2CCOCC2)([NH+]2CCCCC2)CC1 ZINC000531060167 490939024 /nfs/dbraw/zinc/93/90/24/490939024.db2.gz HJUWPDIDRRSWAO-KRWDZBQOSA-N 2 2 353.507 0.840 10 0 FCAELP COc1c[nH+]ccc1N1CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000519503117 490973359 /nfs/dbraw/zinc/97/33/59/490973359.db2.gz HQIWQYLBVRNLMX-OAHLLOKOSA-N 2 2 363.462 0.643 10 0 FCAELP CC[NH+](CC)CC(=O)N1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000544676866 490975981 /nfs/dbraw/zinc/97/59/81/490975981.db2.gz JSXGOQSDGWAHRP-UHFFFAOYSA-N 2 2 362.478 0.304 10 0 FCAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000572832656 491396251 /nfs/dbraw/zinc/39/62/51/491396251.db2.gz VDJWQRPEHFFIHR-RSPOEFSDSA-N 2 2 372.513 0.942 10 0 FCAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000572832653 491396426 /nfs/dbraw/zinc/39/64/26/491396426.db2.gz VDJWQRPEHFFIHR-BTHPGYMESA-N 2 2 372.513 0.942 10 0 FCAELP CC(C)CN(C(=O)C[NH+]1CCC(CC[NH3+])CC1)[C@H]1CCS(=O)(=O)C1 ZINC000566015358 491412701 /nfs/dbraw/zinc/41/27/01/491412701.db2.gz UDHVOULYUBXHKQ-INIZCTEOSA-N 2 2 359.536 0.719 10 0 FCAELP C[C@H]([NH3+])CCC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000566175217 491422989 /nfs/dbraw/zinc/42/29/89/491422989.db2.gz JANFGRFJGPRLAC-LSDHHAIUSA-N 2 2 362.478 0.526 10 0 FCAELP C[C@H]([NH3+])CCC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000566175217 491422991 /nfs/dbraw/zinc/42/29/91/491422991.db2.gz JANFGRFJGPRLAC-LSDHHAIUSA-N 2 2 362.478 0.526 10 0 FCAELP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])C1 ZINC000573370913 491429357 /nfs/dbraw/zinc/42/93/57/491429357.db2.gz QCXHGWFDZHLKAW-WBVHZDCISA-N 2 2 367.453 0.821 10 0 FCAELP C[C@H]1CC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)C1 ZINC000566450077 491444656 /nfs/dbraw/zinc/44/46/56/491444656.db2.gz BAXNMBDVKLBQHZ-AWEZNQCLSA-N 2 2 368.503 0.807 10 0 FCAELP C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)C1 ZINC000566450077 491444657 /nfs/dbraw/zinc/44/46/57/491444657.db2.gz BAXNMBDVKLBQHZ-AWEZNQCLSA-N 2 2 368.503 0.807 10 0 FCAELP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000559383897 491468863 /nfs/dbraw/zinc/46/88/63/491468863.db2.gz SPLMPBIJXJXHFK-HUUCEWRRSA-N 2 2 354.495 0.155 10 0 FCAELP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@H+]1C ZINC000559383897 491468866 /nfs/dbraw/zinc/46/88/66/491468866.db2.gz SPLMPBIJXJXHFK-HUUCEWRRSA-N 2 2 354.495 0.155 10 0 FCAELP C[C@H]1C[NH2+]CC[C@H]1NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000574038325 491470510 /nfs/dbraw/zinc/47/05/10/491470510.db2.gz ASQNUXXAZCLISV-JKSUJKDBSA-N 2 2 359.474 0.625 10 0 FCAELP CC[NH+]1CCN(C(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000559477048 491477011 /nfs/dbraw/zinc/47/70/11/491477011.db2.gz VHJOMYXANQRBCG-UHFFFAOYSA-N 2 2 374.485 0.299 10 0 FCAELP C[C@@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H](C)[NH+]1CCOCC1 ZINC000566991339 491479678 /nfs/dbraw/zinc/47/96/78/491479678.db2.gz BNIHYRSOYMYCEK-DQIHPLBOSA-N 2 2 366.506 0.343 10 0 FCAELP C[C@@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H](C)[NH+]1CCOCC1 ZINC000566991339 491479681 /nfs/dbraw/zinc/47/96/81/491479681.db2.gz BNIHYRSOYMYCEK-DQIHPLBOSA-N 2 2 366.506 0.343 10 0 FCAELP O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000559838391 491503707 /nfs/dbraw/zinc/50/37/07/491503707.db2.gz UMALDKZOFDRHIJ-UHFFFAOYSA-N 2 2 363.462 0.275 10 0 FCAELP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000567437014 491506264 /nfs/dbraw/zinc/50/62/64/491506264.db2.gz FXKFOKCGBKHZNW-CVEARBPZSA-N 2 2 371.441 0.767 10 0 FCAELP 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ZINC000568095300 491553039 /nfs/dbraw/zinc/55/30/39/491553039.db2.gz ZXOVKRKUQBSDGB-UHFFFAOYSA-N 2 2 365.478 0.382 10 0 FCAELP CCc1ccc(C[NH+]2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC2)s1 ZINC000568262950 491563919 /nfs/dbraw/zinc/56/39/19/491563919.db2.gz FIJUNCRJQAKAGQ-INIZCTEOSA-N 2 2 364.515 0.823 10 0 FCAELP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000584399242 491585982 /nfs/dbraw/zinc/58/59/82/491585982.db2.gz JCPZNQLEQAFKBJ-JKSUJKDBSA-N 2 2 361.490 0.361 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000584399242 491585986 /nfs/dbraw/zinc/58/59/86/491585986.db2.gz JCPZNQLEQAFKBJ-JKSUJKDBSA-N 2 2 361.490 0.361 10 0 FCAELP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)[NH+]1CCOCC1 ZINC000668427443 493352633 /nfs/dbraw/zinc/35/26/33/493352633.db2.gz KDQPPEICTDVTFN-HZPDHXFCSA-N 2 2 368.522 0.448 10 0 FCAELP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)[NH+]1CCOCC1 ZINC000668427443 493352635 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C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000642196547 492341038 /nfs/dbraw/zinc/34/10/38/492341038.db2.gz VUFYTZQCNOCUKV-CUOATXAZSA-N 2 2 356.829 0.804 10 0 FCAELP C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000642196547 492341040 /nfs/dbraw/zinc/34/10/40/492341040.db2.gz VUFYTZQCNOCUKV-CUOATXAZSA-N 2 2 356.829 0.804 10 0 FCAELP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000647678889 492343533 /nfs/dbraw/zinc/34/35/33/492343533.db2.gz DCASRMYYGQYZCA-HXUWFJFHSA-N 2 2 371.529 0.310 10 0 FCAELP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000647678889 492343540 /nfs/dbraw/zinc/34/35/40/492343540.db2.gz DCASRMYYGQYZCA-HXUWFJFHSA-N 2 2 371.529 0.310 10 0 FCAELP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000642977346 492409530 /nfs/dbraw/zinc/40/95/30/492409530.db2.gz QPZDZSHZIIEQRU-QAPCUYQASA-N 2 2 374.485 0.646 10 0 FCAELP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)C2 ZINC000622027769 492443370 /nfs/dbraw/zinc/44/33/70/492443370.db2.gz HQXDDMLXZXFESJ-MDZRGWNJSA-N 2 2 364.490 0.040 10 0 FCAELP CC(C)C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)NCC[NH+](C)C ZINC000655750070 492479390 /nfs/dbraw/zinc/47/93/90/492479390.db2.gz ZLZMNAVLKMQXDJ-ROUUACIJSA-N 3 2 354.539 0.922 10 0 FCAELP CC(C)C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)NCC[NH+](C)C ZINC000655750069 492479556 /nfs/dbraw/zinc/47/95/56/492479556.db2.gz ZLZMNAVLKMQXDJ-MSOLQXFVSA-N 3 2 354.539 0.922 10 0 FCAELP Cn1ccnc1C[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000622631720 492481145 /nfs/dbraw/zinc/48/11/45/492481145.db2.gz TZKITAUFYMCFAY-KRWDZBQOSA-N 2 2 363.506 0.595 10 0 FCAELP Cn1ccnc1C[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000622631720 492481146 /nfs/dbraw/zinc/48/11/46/492481146.db2.gz TZKITAUFYMCFAY-KRWDZBQOSA-N 2 2 363.506 0.595 10 0 FCAELP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000643509214 492484604 /nfs/dbraw/zinc/48/46/04/492484604.db2.gz IJDVOIKKLMOYCC-ULQDDVLXSA-N 2 2 366.506 0.286 10 0 FCAELP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C[C@H](C)O1 ZINC000643519396 492489166 /nfs/dbraw/zinc/48/91/66/492489166.db2.gz RNWZEAYDQLBSEO-JTDSTZFVSA-N 2 2 366.506 0.156 10 0 FCAELP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C[C@H](C)O1 ZINC000643519396 492489171 /nfs/dbraw/zinc/48/91/71/492489171.db2.gz RNWZEAYDQLBSEO-JTDSTZFVSA-N 2 2 366.506 0.156 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)C1=O ZINC000655923121 492489463 /nfs/dbraw/zinc/48/94/63/492489463.db2.gz UNRYFEJQMBLQLN-NXEZZACHSA-N 2 2 362.356 0.100 10 0 FCAELP CCC(CC)[C@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)[NH+]1CCOCC1 ZINC000649074357 492490570 /nfs/dbraw/zinc/49/05/70/492490570.db2.gz GWZNUZUSZWQSNR-DOTOQJQBSA-N 2 2 368.522 0.702 10 0 FCAELP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000649074435 492490847 /nfs/dbraw/zinc/49/08/47/492490847.db2.gz IRTQUKYRXLTRKA-AEFFLSMTSA-N 2 2 374.485 0.466 10 0 FCAELP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000649074435 492490851 /nfs/dbraw/zinc/49/08/51/492490851.db2.gz IRTQUKYRXLTRKA-AEFFLSMTSA-N 2 2 374.485 0.466 10 0 FCAELP [NH3+]C[C@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C(F)(F)F ZINC000655929352 492491090 /nfs/dbraw/zinc/49/10/90/492491090.db2.gz SSYRDOUNNXPIAV-JTQLQIEISA-N 2 2 350.345 0.226 10 0 FCAELP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000649076363 492491690 /nfs/dbraw/zinc/49/16/90/492491690.db2.gz WGOCPBFKTPTAAB-RDJZCZTQSA-N 2 2 359.474 0.624 10 0 FCAELP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000649076363 492491693 /nfs/dbraw/zinc/49/16/93/492491693.db2.gz WGOCPBFKTPTAAB-RDJZCZTQSA-N 2 2 359.474 0.624 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)CC2 ZINC000643593756 492503629 /nfs/dbraw/zinc/50/36/29/492503629.db2.gz PERJZUDRAXOMRH-CVEARBPZSA-N 2 2 359.474 0.914 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656023809 492519818 /nfs/dbraw/zinc/51/98/18/492519818.db2.gz FSHDHVCBUCJWGS-TTZDDIAXSA-N 2 2 354.495 0.234 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656023650 492519890 /nfs/dbraw/zinc/51/98/90/492519890.db2.gz CKZWVQURSCHHIO-OIPACUDHSA-N 2 2 354.495 0.106 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656023650 492519894 /nfs/dbraw/zinc/51/98/94/492519894.db2.gz CKZWVQURSCHHIO-OIPACUDHSA-N 2 2 354.495 0.106 10 0 FCAELP C[C@H](CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656023651 492520624 /nfs/dbraw/zinc/52/06/24/492520624.db2.gz CKZWVQURSCHHIO-ZXFNITATSA-N 2 2 354.495 0.106 10 0 FCAELP C[C@H](CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656023651 492520627 /nfs/dbraw/zinc/52/06/27/492520627.db2.gz CKZWVQURSCHHIO-ZXFNITATSA-N 2 2 354.495 0.106 10 0 FCAELP CCCN(C(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000656041305 492522932 /nfs/dbraw/zinc/52/29/32/492522932.db2.gz PKUBWBXCHSVKCQ-WCVJEAGWSA-N 2 2 354.495 0.201 10 0 FCAELP CCCN(C(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000656041305 492522935 /nfs/dbraw/zinc/52/29/35/492522935.db2.gz PKUBWBXCHSVKCQ-WCVJEAGWSA-N 2 2 354.495 0.201 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656040616 492523008 /nfs/dbraw/zinc/52/30/08/492523008.db2.gz MVFJIQIAAQLZJZ-DGADGQDISA-N 2 2 354.495 0.186 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656040616 492523013 /nfs/dbraw/zinc/52/30/13/492523013.db2.gz MVFJIQIAAQLZJZ-DGADGQDISA-N 2 2 354.495 0.186 10 0 FCAELP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656043089 492523990 /nfs/dbraw/zinc/52/39/90/492523990.db2.gz ZANJSZZBTXTWBH-APIJFGDWSA-N 2 2 354.495 0.186 10 0 FCAELP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656043089 492523993 /nfs/dbraw/zinc/52/39/93/492523993.db2.gz ZANJSZZBTXTWBH-APIJFGDWSA-N 2 2 354.495 0.186 10 0 FCAELP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656062616 492526251 /nfs/dbraw/zinc/52/62/51/492526251.db2.gz KRWCNOZXJUVJSS-NCOADZHNSA-N 2 2 368.522 0.543 10 0 FCAELP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656062616 492526255 /nfs/dbraw/zinc/52/62/55/492526255.db2.gz KRWCNOZXJUVJSS-NCOADZHNSA-N 2 2 368.522 0.543 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N(C)CC1CC[NH+](C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656070117 492531605 /nfs/dbraw/zinc/53/16/05/492531605.db2.gz ZYYQEEHKQOQXND-HRCADAONSA-N 2 2 368.522 0.401 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N(C)CC1CC[NH+](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656070117 492531609 /nfs/dbraw/zinc/53/16/09/492531609.db2.gz ZYYQEEHKQOQXND-HRCADAONSA-N 2 2 368.522 0.401 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656085029 492546702 /nfs/dbraw/zinc/54/67/02/492546702.db2.gz VHDPLPDBUYLOSK-HRCADAONSA-N 2 2 368.522 0.543 10 0 FCAELP C[NH+](C)CCOc1ccc(CNC(=O)NC[C@H]2COCC[N@@H+]2C)cc1 ZINC000623455591 492555791 /nfs/dbraw/zinc/55/57/91/492555791.db2.gz YNSODWMBACEHMJ-INIZCTEOSA-N 2 2 350.463 0.757 10 0 FCAELP C[NH+](C)CCOc1ccc(CNC(=O)NC[C@H]2COCC[N@H+]2C)cc1 ZINC000623455591 492555793 /nfs/dbraw/zinc/55/57/93/492555793.db2.gz YNSODWMBACEHMJ-INIZCTEOSA-N 2 2 350.463 0.757 10 0 FCAELP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1c[nH]nc1CN1C(=O)c2ccccc2C1=O ZINC000623470907 492557715 /nfs/dbraw/zinc/55/77/15/492557715.db2.gz HIMQFYRQKLICPR-IBGZPJMESA-N 2 2 371.441 0.608 10 0 FCAELP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000656294227 492574022 /nfs/dbraw/zinc/57/40/22/492574022.db2.gz SAPGCFQNXBQFDI-IYBDPMFKSA-N 2 2 359.474 0.754 10 0 FCAELP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2COCC[NH+]2C)[C@@H](C)C1 ZINC000623621036 492574766 /nfs/dbraw/zinc/57/47/66/492574766.db2.gz MDXCWVKRWYZVDW-ULQDDVLXSA-N 2 2 356.511 0.753 10 0 FCAELP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2COCC[NH+]2C)[C@@H](C)C1 ZINC000623621036 492574769 /nfs/dbraw/zinc/57/47/69/492574769.db2.gz MDXCWVKRWYZVDW-ULQDDVLXSA-N 2 2 356.511 0.753 10 0 FCAELP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@H]2COCC[N@@H+]2C)[C@@H](C)C1 ZINC000623621036 492574772 /nfs/dbraw/zinc/57/47/72/492574772.db2.gz MDXCWVKRWYZVDW-ULQDDVLXSA-N 2 2 356.511 0.753 10 0 FCAELP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@H]2COCC[N@H+]2C)[C@@H](C)C1 ZINC000623621036 492574774 /nfs/dbraw/zinc/57/47/74/492574774.db2.gz MDXCWVKRWYZVDW-ULQDDVLXSA-N 2 2 356.511 0.753 10 0 FCAELP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000656300849 492577193 /nfs/dbraw/zinc/57/71/93/492577193.db2.gz VISBUMDQKAAGEI-FZNQNYSPSA-N 2 2 355.442 0.945 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CCN(C4CCC4)C3=O)C2)CC1 ZINC000623639192 492577278 /nfs/dbraw/zinc/57/72/78/492577278.db2.gz DXGAVXFBWFHJMO-YOEHRIQHSA-N 2 2 363.506 0.608 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CCN(C4CCC4)C3=O)C2)CC1 ZINC000623639192 492577280 /nfs/dbraw/zinc/57/72/80/492577280.db2.gz DXGAVXFBWFHJMO-YOEHRIQHSA-N 2 2 363.506 0.608 10 0 FCAELP CC[N@H+](CCNC(=O)C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000656309169 492582964 /nfs/dbraw/zinc/58/29/64/492582964.db2.gz MNHDPJNVJYYMSP-KFWWJZLASA-N 2 2 354.495 0.201 10 0 FCAELP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000656309169 492582966 /nfs/dbraw/zinc/58/29/66/492582966.db2.gz MNHDPJNVJYYMSP-KFWWJZLASA-N 2 2 354.495 0.201 10 0 FCAELP CC[NH+](CCNC(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000656309169 492582969 /nfs/dbraw/zinc/58/29/69/492582969.db2.gz MNHDPJNVJYYMSP-KFWWJZLASA-N 2 2 354.495 0.201 10 0 FCAELP CC[NH+](CCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000656309169 492582970 /nfs/dbraw/zinc/58/29/70/492582970.db2.gz MNHDPJNVJYYMSP-KFWWJZLASA-N 2 2 354.495 0.201 10 0 FCAELP CCC1([NH+]2CCOCC2)CCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000623725944 492588311 /nfs/dbraw/zinc/58/83/11/492588311.db2.gz RDARDTYRVQOZLX-KRWDZBQOSA-N 2 2 368.522 0.994 10 0 FCAELP CCC1([NH+]2CCOCC2)CCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000623725944 492588314 /nfs/dbraw/zinc/58/83/14/492588314.db2.gz RDARDTYRVQOZLX-KRWDZBQOSA-N 2 2 368.522 0.994 10 0 FCAELP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656325268 492593400 /nfs/dbraw/zinc/59/34/00/492593400.db2.gz MVSFLKDEHROUAB-HRCADAONSA-N 2 2 356.511 0.448 10 0 FCAELP CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656325268 492593405 /nfs/dbraw/zinc/59/34/05/492593405.db2.gz MVSFLKDEHROUAB-HRCADAONSA-N 2 2 356.511 0.448 10 0 FCAELP CCC[NH+](CC)CCNC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656325268 492593409 /nfs/dbraw/zinc/59/34/09/492593409.db2.gz MVSFLKDEHROUAB-HRCADAONSA-N 2 2 356.511 0.448 10 0 FCAELP CCC[NH+](CC)CCNC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656325268 492593414 /nfs/dbraw/zinc/59/34/14/492593414.db2.gz MVSFLKDEHROUAB-HRCADAONSA-N 2 2 356.511 0.448 10 0 FCAELP C[NH+](C)CCN1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1=O ZINC000650302931 492628674 /nfs/dbraw/zinc/62/86/74/492628674.db2.gz FLJZTTBTMUKCSF-UHFFFAOYSA-N 2 2 355.442 0.777 10 0 FCAELP CC(C)[N@H+](C)C[C@H](O)CN1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000656698008 492643307 /nfs/dbraw/zinc/64/33/07/492643307.db2.gz XXJDHBBHKCXKAA-AEFFLSMTSA-N 2 2 354.539 0.752 10 0 FCAELP CC(C)[N@@H+](C)C[C@H](O)CN1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000656698008 492643312 /nfs/dbraw/zinc/64/33/12/492643312.db2.gz XXJDHBBHKCXKAA-AEFFLSMTSA-N 2 2 354.539 0.752 10 0 FCAELP NC(=O)c1cn(C2C[NH+](Cc3ccc(OCC[NH+]4CCCC4)cc3)C2)nn1 ZINC000656738122 492648448 /nfs/dbraw/zinc/64/84/48/492648448.db2.gz BQUJCLZTIREBBB-UHFFFAOYSA-N 2 2 370.457 0.909 10 0 FCAELP C[NH2+]CCOCC[N@H+](C)CC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000629572300 492650418 /nfs/dbraw/zinc/65/04/18/492650418.db2.gz ZLGXMMBXAGQBDY-UHFFFAOYSA-N 2 2 367.841 0.422 10 0 FCAELP C[NH2+]CCOCC[N@@H+](C)CC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000629572300 492650421 /nfs/dbraw/zinc/65/04/21/492650421.db2.gz ZLGXMMBXAGQBDY-UHFFFAOYSA-N 2 2 367.841 0.422 10 0 FCAELP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585193 492658060 /nfs/dbraw/zinc/65/80/60/492658060.db2.gz MUOCIJGWMMOZAH-LZQZEXGQSA-N 2 2 358.490 0.445 10 0 FCAELP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585193 492658065 /nfs/dbraw/zinc/65/80/65/492658065.db2.gz MUOCIJGWMMOZAH-LZQZEXGQSA-N 2 2 358.490 0.445 10 0 FCAELP Cc1cc(NCCNC(=O)NC[C@H]2COCC[N@@H+]2C)nc(C(C)C)[nH+]1 ZINC000624732972 492676520 /nfs/dbraw/zinc/67/65/20/492676520.db2.gz QUSCYYXMFVPQKP-AWEZNQCLSA-N 2 2 350.467 0.950 10 0 FCAELP Cc1cc(NCCNC(=O)NC[C@H]2COCC[N@H+]2C)nc(C(C)C)[nH+]1 ZINC000624732972 492676524 /nfs/dbraw/zinc/67/65/24/492676524.db2.gz QUSCYYXMFVPQKP-AWEZNQCLSA-N 2 2 350.467 0.950 10 0 FCAELP COC[C@H]1C[C@@H](O)CN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000650933261 492685366 /nfs/dbraw/zinc/68/53/66/492685366.db2.gz FPEOSTPBCJJIJR-IAGOWNOFSA-N 2 2 368.522 0.728 10 0 FCAELP CNC(=O)c1ccc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000657093345 492716383 /nfs/dbraw/zinc/71/63/83/492716383.db2.gz YKMBYFPAIFMLGJ-UHFFFAOYSA-N 2 2 356.492 0.208 10 0 FCAELP CNC(=O)c1ccc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000657093345 492716385 /nfs/dbraw/zinc/71/63/85/492716385.db2.gz YKMBYFPAIFMLGJ-UHFFFAOYSA-N 2 2 356.492 0.208 10 0 FCAELP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000625384005 492770331 /nfs/dbraw/zinc/77/03/31/492770331.db2.gz QAACXJQSNHKURP-UHFFFAOYSA-N 2 2 371.485 0.832 10 0 FCAELP O=C([C@@H]1CC[C@H]1C(=O)N1CC[NH+](C2CC2)CC1)N1CC[NH+](C2CC2)CC1 ZINC000630841103 492778664 /nfs/dbraw/zinc/77/86/64/492778664.db2.gz WUHBMQYIVRYVDB-QZTJIDSGSA-N 2 2 360.502 0.626 10 0 FCAELP CCS(=O)(=O)C1(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000657758832 492791851 /nfs/dbraw/zinc/79/18/51/492791851.db2.gz JTACMPOVUBGHBA-UHFFFAOYSA-N 2 2 353.492 0.285 10 0 FCAELP COc1ccc(C[NH+]2CCN(C(=O)CN3CC[C@@H]4C[N@H+](C)C[C@@H]43)CC2)cc1 ZINC000644736108 492802807 /nfs/dbraw/zinc/80/28/07/492802807.db2.gz WWNQHNBEVHMECP-QUCCMNQESA-N 2 2 372.513 0.975 10 0 FCAELP COc1ccc(C[NH+]2CCN(C(=O)CN3CC[C@@H]4C[N@@H+](C)C[C@@H]43)CC2)cc1 ZINC000644736108 492802813 /nfs/dbraw/zinc/80/28/13/492802813.db2.gz WWNQHNBEVHMECP-QUCCMNQESA-N 2 2 372.513 0.975 10 0 FCAELP CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC000658117874 492840713 /nfs/dbraw/zinc/84/07/13/492840713.db2.gz WVXGFUBAADYOHX-MISYRCLQSA-N 2 2 369.550 0.939 10 0 FCAELP CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000658117874 492840716 /nfs/dbraw/zinc/84/07/16/492840716.db2.gz WVXGFUBAADYOHX-MISYRCLQSA-N 2 2 369.550 0.939 10 0 FCAELP CC(C)n1nccc1NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000658335638 492861429 /nfs/dbraw/zinc/86/14/29/492861429.db2.gz DLKNHQFPLXJPHC-AWEZNQCLSA-N 2 2 352.483 0.791 10 0 FCAELP CC(C)n1nccc1NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000658335638 492861434 /nfs/dbraw/zinc/86/14/34/492861434.db2.gz DLKNHQFPLXJPHC-AWEZNQCLSA-N 2 2 352.483 0.791 10 0 FCAELP CCc1ncc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cn1 ZINC000658337512 492861670 /nfs/dbraw/zinc/86/16/70/492861670.db2.gz UTRSHMBBAJJHLQ-ZDUSSCGKSA-N 2 2 350.467 0.366 10 0 FCAELP CCc1ncc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000658337512 492861674 /nfs/dbraw/zinc/86/16/74/492861674.db2.gz UTRSHMBBAJJHLQ-ZDUSSCGKSA-N 2 2 350.467 0.366 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cn(C)nc1C1CC1 ZINC000658337330 492861801 /nfs/dbraw/zinc/86/18/01/492861801.db2.gz CRZKXMWUAMHWIC-ZDUSSCGKSA-N 2 2 364.494 0.624 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cn(C)nc1C1CC1 ZINC000658337330 492861808 /nfs/dbraw/zinc/86/18/08/492861808.db2.gz CRZKXMWUAMHWIC-ZDUSSCGKSA-N 2 2 364.494 0.624 10 0 FCAELP CCn1cccc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1=O ZINC000658340143 492862151 /nfs/dbraw/zinc/86/21/51/492862151.db2.gz YNGJCJNNJHNRFM-AWEZNQCLSA-N 2 2 365.478 0.195 10 0 FCAELP CCn1cccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1=O ZINC000658340143 492862152 /nfs/dbraw/zinc/86/21/52/492862152.db2.gz YNGJCJNNJHNRFM-AWEZNQCLSA-N 2 2 365.478 0.195 10 0 FCAELP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nc(N)[nH+]c3c2CCCC3)CC1 ZINC000645190454 492876119 /nfs/dbraw/zinc/87/61/19/492876119.db2.gz XJLKUFUSTBRBBC-CQSZACIVSA-N 2 2 358.490 1.071 10 0 FCAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000645184074 492876224 /nfs/dbraw/zinc/87/62/24/492876224.db2.gz OEKHUEAJCGOFDH-RBUKOAKNSA-N 2 2 359.474 0.900 10 0 FCAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000645184074 492876227 /nfs/dbraw/zinc/87/62/27/492876227.db2.gz OEKHUEAJCGOFDH-RBUKOAKNSA-N 2 2 359.474 0.900 10 0 FCAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000645184074 492876230 /nfs/dbraw/zinc/87/62/30/492876230.db2.gz OEKHUEAJCGOFDH-RBUKOAKNSA-N 2 2 359.474 0.900 10 0 FCAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000645184074 492876233 /nfs/dbraw/zinc/87/62/33/492876233.db2.gz OEKHUEAJCGOFDH-RBUKOAKNSA-N 2 2 359.474 0.900 10 0 FCAELP Cc1ccn2cc(CNC(=O)N3CN(CC[NH+](C)C)C(=O)[C@H]3C)[nH+]c2c1 ZINC000645231970 492881984 /nfs/dbraw/zinc/88/19/84/492881984.db2.gz LUZXKJOXNKNSMC-CQSZACIVSA-N 2 2 358.446 0.904 10 0 FCAELP CCO[C@@H]1CN(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C[C@H]1C[NH3+] ZINC000652126115 492884208 /nfs/dbraw/zinc/88/42/08/492884208.db2.gz UTJFHBIRSDPZFF-HZPDHXFCSA-N 2 2 363.462 0.423 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C(F)F)nc1 ZINC000658426579 492885002 /nfs/dbraw/zinc/88/50/02/492885002.db2.gz BOSNCCSEOMSFCV-UHFFFAOYSA-N 2 2 357.405 0.957 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C(F)F)nc1 ZINC000658426579 492884998 /nfs/dbraw/zinc/88/49/98/492884998.db2.gz BOSNCCSEOMSFCV-UHFFFAOYSA-N 2 2 357.405 0.957 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1scnc1C1CC1 ZINC000658427912 492885458 /nfs/dbraw/zinc/88/54/58/492885458.db2.gz FONIUGKHINYYOQ-UHFFFAOYSA-N 2 2 353.492 0.959 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1scnc1C1CC1 ZINC000658427912 492885460 /nfs/dbraw/zinc/88/54/60/492885460.db2.gz FONIUGKHINYYOQ-UHFFFAOYSA-N 2 2 353.492 0.959 10 0 FCAELP COc1cc(F)ccc1NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000658427548 492886055 /nfs/dbraw/zinc/88/60/55/492886055.db2.gz MZSLTTDUYBTQFW-UHFFFAOYSA-N 2 2 354.426 0.773 10 0 FCAELP COc1cc(F)ccc1NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000658427548 492886060 /nfs/dbraw/zinc/88/60/60/492886060.db2.gz MZSLTTDUYBTQFW-UHFFFAOYSA-N 2 2 354.426 0.773 10 0 FCAELP CC(=O)Nc1ccc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000658429108 492886933 /nfs/dbraw/zinc/88/69/33/492886933.db2.gz PTSSYAHQDRIRCB-UHFFFAOYSA-N 2 2 363.462 0.583 10 0 FCAELP CC(=O)Nc1ccc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000658429108 492886937 /nfs/dbraw/zinc/88/69/37/492886937.db2.gz PTSSYAHQDRIRCB-UHFFFAOYSA-N 2 2 363.462 0.583 10 0 FCAELP Cc1cc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cn2cc[nH+]c12 ZINC000658427989 492886960 /nfs/dbraw/zinc/88/69/60/492886960.db2.gz GQIVSOVSRGKEJO-UHFFFAOYSA-N 3 2 360.462 0.581 10 0 FCAELP Cc1cc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)cn2cc[nH+]c12 ZINC000658427989 492886963 /nfs/dbraw/zinc/88/69/63/492886963.db2.gz GQIVSOVSRGKEJO-UHFFFAOYSA-N 3 2 360.462 0.581 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cnc2c(c1)COCC2 ZINC000658429514 492887575 /nfs/dbraw/zinc/88/75/75/492887575.db2.gz ZEKKVHASBZNKSW-UHFFFAOYSA-N 2 2 363.462 0.093 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cnc2c(c1)COCC2 ZINC000658429514 492887577 /nfs/dbraw/zinc/88/75/77/492887577.db2.gz ZEKKVHASBZNKSW-UHFFFAOYSA-N 2 2 363.462 0.093 10 0 FCAELP Cc1cn2c([nH+]1)C[C@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)CC2 ZINC000625798495 492889032 /nfs/dbraw/zinc/88/90/32/492889032.db2.gz OPGHEBIWUOCUCD-CQSZACIVSA-N 2 2 373.461 0.267 10 0 FCAELP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652244211 492898194 /nfs/dbraw/zinc/89/81/94/492898194.db2.gz XOWWIZASMZBJBB-INIZCTEOSA-N 2 2 365.522 0.844 10 0 FCAELP [NH3+]C[C@@H](NC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)C(F)(F)F ZINC000625899472 492900280 /nfs/dbraw/zinc/90/02/80/492900280.db2.gz UTLTZHJFAUYNAZ-QWHCGFSZSA-N 2 2 361.368 0.471 10 0 FCAELP [NH3+]C[C@@H](NC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)C(F)(F)F ZINC000625899472 492900281 /nfs/dbraw/zinc/90/02/81/492900281.db2.gz UTLTZHJFAUYNAZ-QWHCGFSZSA-N 2 2 361.368 0.471 10 0 FCAELP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638118635 492909064 /nfs/dbraw/zinc/90/90/64/492909064.db2.gz BTGYUNQEQVKIKV-RYRKJORJSA-N 2 2 358.486 0.834 10 0 FCAELP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638118635 492909066 /nfs/dbraw/zinc/90/90/66/492909066.db2.gz BTGYUNQEQVKIKV-RYRKJORJSA-N 2 2 358.486 0.834 10 0 FCAELP C[C@@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1=O ZINC000638112936 492909880 /nfs/dbraw/zinc/90/98/80/492909880.db2.gz XJQSBFYAFJIKQR-FUHWJXTLSA-N 2 2 358.486 0.787 10 0 FCAELP C[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1=O ZINC000638112936 492909883 /nfs/dbraw/zinc/90/98/83/492909883.db2.gz XJQSBFYAFJIKQR-FUHWJXTLSA-N 2 2 358.486 0.787 10 0 FCAELP C[NH+]1CCN(CCNC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000638137689 492915701 /nfs/dbraw/zinc/91/57/01/492915701.db2.gz YYJFLTNITNIBFT-UHFFFAOYSA-N 3 2 373.545 0.734 10 0 FCAELP O=S(=O)(CCC[NH+]1CCCC1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000632046007 492918795 /nfs/dbraw/zinc/91/87/95/492918795.db2.gz XNFVPPWOWWHGIA-QGZVFWFLSA-N 2 2 359.536 0.989 10 0 FCAELP C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632085472 492926064 /nfs/dbraw/zinc/92/60/64/492926064.db2.gz XLVYKFHNUIZQON-AWEZNQCLSA-N 2 2 361.533 0.772 10 0 FCAELP C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632085472 492926070 /nfs/dbraw/zinc/92/60/70/492926070.db2.gz XLVYKFHNUIZQON-AWEZNQCLSA-N 2 2 361.533 0.772 10 0 FCAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658539776 492937518 /nfs/dbraw/zinc/93/75/18/492937518.db2.gz HELVEJXXDJNAFD-UHFFFAOYSA-N 2 2 361.446 0.185 10 0 FCAELP Cc1noc([C@@H]2OCC[C@@H]2[NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)n1 ZINC000626145159 492937643 /nfs/dbraw/zinc/93/76/43/492937643.db2.gz GMHIPGSHPOWZHH-DZGCQCFKSA-N 2 2 367.450 0.025 10 0 FCAELP C[N@@H+]1CC[C@H](NS(=O)(=O)C[C@@H]2C[NH+](C)CCO2)[C@@H]1c1ccccc1 ZINC000632151100 492939649 /nfs/dbraw/zinc/93/96/49/492939649.db2.gz XSZGYYJHSLACPN-ULQDDVLXSA-N 2 2 353.488 0.682 10 0 FCAELP C[N@H+]1CC[C@H](NS(=O)(=O)C[C@@H]2C[NH+](C)CCO2)[C@@H]1c1ccccc1 ZINC000632151100 492939652 /nfs/dbraw/zinc/93/96/52/492939652.db2.gz XSZGYYJHSLACPN-ULQDDVLXSA-N 2 2 353.488 0.682 10 0 FCAELP C[NH+]1CC[C@H](NS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)[C@@H]1c1ccccc1 ZINC000632151100 492939655 /nfs/dbraw/zinc/93/96/55/492939655.db2.gz XSZGYYJHSLACPN-ULQDDVLXSA-N 2 2 353.488 0.682 10 0 FCAELP C[NH+]1CC[C@H](NS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)[C@@H]1c1ccccc1 ZINC000632151100 492939660 /nfs/dbraw/zinc/93/96/60/492939660.db2.gz XSZGYYJHSLACPN-ULQDDVLXSA-N 2 2 353.488 0.682 10 0 FCAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC1)CC2 ZINC000626163210 492940083 /nfs/dbraw/zinc/94/00/83/492940083.db2.gz GUOBSXHQHHHHBM-HOTGVXAUSA-N 2 2 359.474 0.519 10 0 FCAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC1)CC2 ZINC000626163210 492940085 /nfs/dbraw/zinc/94/00/85/492940085.db2.gz GUOBSXHQHHHHBM-HOTGVXAUSA-N 2 2 359.474 0.519 10 0 FCAELP COC[C@@]1(C)C[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CCO1 ZINC000626170991 492942354 /nfs/dbraw/zinc/94/23/54/492942354.db2.gz SNJKUBKGOKDREX-SJLPKXTDSA-N 2 2 357.495 0.197 10 0 FCAELP COC[C@@]1(C)C[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CCO1 ZINC000626170991 492942359 /nfs/dbraw/zinc/94/23/59/492942359.db2.gz SNJKUBKGOKDREX-SJLPKXTDSA-N 2 2 357.495 0.197 10 0 FCAELP COC[C@@]1(C)C[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CCO1 ZINC000626170991 492942362 /nfs/dbraw/zinc/94/23/62/492942362.db2.gz SNJKUBKGOKDREX-SJLPKXTDSA-N 2 2 357.495 0.197 10 0 FCAELP COC[C@@]1(C)C[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CCO1 ZINC000626170991 492942369 /nfs/dbraw/zinc/94/23/69/492942369.db2.gz SNJKUBKGOKDREX-SJLPKXTDSA-N 2 2 357.495 0.197 10 0 FCAELP [NH3+]CC1(CCNC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000652683959 492989620 /nfs/dbraw/zinc/98/96/20/492989620.db2.gz BTFCZNACYZATOH-UHFFFAOYSA-N 2 2 373.501 0.170 10 0 FCAELP C[NH2+]Cc1ccccc1CNC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000652687456 492990392 /nfs/dbraw/zinc/99/03/92/492990392.db2.gz CLKQHOPQZSWWJY-UHFFFAOYSA-N 2 2 369.469 0.914 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cn([C@H]4CCC[NH2+]C4)nn3)C2)CC1 ZINC000645977769 492994713 /nfs/dbraw/zinc/99/47/13/492994713.db2.gz LIRCUWODYQETTJ-ZBFHGGJFSA-N 3 2 361.494 0.101 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cn([C@H]4CCC[NH2+]C4)nn3)C2)CC1 ZINC000645977769 492994717 /nfs/dbraw/zinc/99/47/17/492994717.db2.gz LIRCUWODYQETTJ-ZBFHGGJFSA-N 3 2 361.494 0.101 10 0 FCAELP CC1(C)[C@@H](NS(=O)(=O)CCC[NH+]2CCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000632503187 493015349 /nfs/dbraw/zinc/01/53/49/493015349.db2.gz XDINIMVXCDLTBJ-HOTGVXAUSA-N 2 2 359.536 0.891 10 0 FCAELP O=C(NCCCCn1cc[nH+]c1)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626800065 493020280 /nfs/dbraw/zinc/02/02/80/493020280.db2.gz KZXWCNGRYCIDIV-UHFFFAOYSA-N 2 2 357.414 0.900 10 0 FCAELP COc1ccc(O)c(S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000632547386 493027221 /nfs/dbraw/zinc/02/72/21/493027221.db2.gz 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O=C(CCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000653114883 493073221 /nfs/dbraw/zinc/07/32/21/493073221.db2.gz ZTLYIFVYPKEJJM-IRXDYDNUSA-N 2 2 371.485 0.767 10 0 FCAELP CCN(C(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000658827907 493075305 /nfs/dbraw/zinc/07/53/05/493075305.db2.gz YDZXQMNCEMZUFT-IXDOHACOSA-N 2 2 368.522 0.497 10 0 FCAELP CCN(C(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[N@@H+](CC)C1 ZINC000658827907 493075309 /nfs/dbraw/zinc/07/53/09/493075309.db2.gz YDZXQMNCEMZUFT-IXDOHACOSA-N 2 2 368.522 0.497 10 0 FCAELP CCN(C(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH+](CC)C1 ZINC000658827907 493075312 /nfs/dbraw/zinc/07/53/12/493075312.db2.gz YDZXQMNCEMZUFT-IXDOHACOSA-N 2 2 368.522 0.497 10 0 FCAELP CCN(C(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH+](CC)C1 ZINC000658827907 493075316 /nfs/dbraw/zinc/07/53/16/493075316.db2.gz YDZXQMNCEMZUFT-IXDOHACOSA-N 2 2 368.522 0.497 10 0 FCAELP C[NH+]1CCC(CNC(=O)NCC2([NH3+])CCOCC2)([NH+]2CCCCC2)CC1 ZINC000626988322 493075650 /nfs/dbraw/zinc/07/56/50/493075650.db2.gz GOFINLYQCOQFHU-UHFFFAOYSA-N 3 2 367.538 0.744 10 0 FCAELP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000632722943 493076722 /nfs/dbraw/zinc/07/67/22/493076722.db2.gz BYJMXSDGUOYWLW-MRXNPFEDSA-N 2 2 366.506 0.252 10 0 FCAELP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000653158899 493079913 /nfs/dbraw/zinc/07/99/13/493079913.db2.gz OWMQAYXFBXRFCU-CABCVRRESA-N 2 2 360.437 0.794 10 0 FCAELP CCOC1CC(CNC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)([NH+]2CCOCC2)C1 ZINC000627020197 493081522 /nfs/dbraw/zinc/08/15/22/493081522.db2.gz BPMYRZGNZYNCOE-MHAAMQRSSA-N 2 2 354.495 0.696 10 0 FCAELP CN(CCOCC[NH3+])C(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000627117904 493090584 /nfs/dbraw/zinc/09/05/84/493090584.db2.gz LVFZMWBRRLDCMK-SFHVURJKSA-N 2 2 363.506 0.419 10 0 FCAELP CN(CCOCC[NH3+])C(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000627117904 493090592 /nfs/dbraw/zinc/09/05/92/493090592.db2.gz LVFZMWBRRLDCMK-SFHVURJKSA-N 2 2 363.506 0.419 10 0 FCAELP [NH3+]CC[C@@H](NC(=O)N1CC[NH+](CCc2cnccn2)CC1)C(F)(F)F ZINC000632953544 493098222 /nfs/dbraw/zinc/09/82/22/493098222.db2.gz XLHOXAOIQDUESB-CYBMUJFWSA-N 2 2 360.384 0.626 10 0 FCAELP [NH3+]C1(CNC(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)CCOCC1 ZINC000627155915 493098288 /nfs/dbraw/zinc/09/82/88/493098288.db2.gz MAZLSLMQQKYUOH-UHFFFAOYSA-N 2 2 372.473 0.669 10 0 FCAELP [NH3+][C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)CC[C@H]1F ZINC000627223796 493109846 /nfs/dbraw/zinc/10/98/46/493109846.db2.gz GHSDYGBXMCYMFA-BZUAXINKSA-N 2 2 351.426 0.363 10 0 FCAELP [NH3+][C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)CC[C@H]1F ZINC000627223796 493109849 /nfs/dbraw/zinc/10/98/49/493109849.db2.gz GHSDYGBXMCYMFA-BZUAXINKSA-N 2 2 351.426 0.363 10 0 FCAELP O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000627224794 493109999 /nfs/dbraw/zinc/10/99/99/493109999.db2.gz OXZVLMWVEVUUNV-CEXWTWQISA-N 2 2 373.501 0.923 10 0 FCAELP O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000627224794 493110002 /nfs/dbraw/zinc/11/00/02/493110002.db2.gz OXZVLMWVEVUUNV-CEXWTWQISA-N 2 2 373.501 0.923 10 0 FCAELP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000627225627 493110996 /nfs/dbraw/zinc/11/09/96/493110996.db2.gz YZDSATDPCFUHLA-MSOLQXFVSA-N 2 2 361.490 0.922 10 0 FCAELP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000627225627 493111000 /nfs/dbraw/zinc/11/10/00/493111000.db2.gz YZDSATDPCFUHLA-MSOLQXFVSA-N 2 2 361.490 0.922 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000633077387 493116507 /nfs/dbraw/zinc/11/65/07/493116507.db2.gz UQOQVPBZXAPNKO-IAGOWNOFSA-N 2 2 374.485 0.263 10 0 FCAELP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000658980563 493119608 /nfs/dbraw/zinc/11/96/08/493119608.db2.gz QBAFBAVETGNNSC-UHFFFAOYSA-N 2 2 357.458 0.948 10 0 FCAELP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000659079184 493143186 /nfs/dbraw/zinc/14/31/86/493143186.db2.gz LRFIAFFYKDKOAA-KRWDZBQOSA-N 2 2 358.442 0.593 10 0 FCAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000627317232 493149036 /nfs/dbraw/zinc/14/90/36/493149036.db2.gz IYHRCDWJGRGMAC-NILFDRSVSA-N 2 2 359.405 0.631 10 0 FCAELP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C[NH2+]1 ZINC000627324271 493152963 /nfs/dbraw/zinc/15/29/63/493152963.db2.gz VVGSMTAEWXXOPD-GDBMZVCRSA-N 2 2 359.474 0.945 10 0 FCAELP C[C@H]1CC[C@H](NC(=O)C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C[NH2+]1 ZINC000627344340 493164419 /nfs/dbraw/zinc/16/44/19/493164419.db2.gz CBWPRJZTJZBGRP-HOCLYGCPSA-N 2 2 359.474 0.945 10 0 FCAELP C[NH2+]CCOCCNC(=O)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000627344987 493165057 /nfs/dbraw/zinc/16/50/57/493165057.db2.gz YDORSFGNBTYPPZ-UHFFFAOYSA-N 2 2 363.462 0.040 10 0 FCAELP [NH3+]CC12CC(C1)CN2C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000659446250 493179848 /nfs/dbraw/zinc/17/98/48/493179848.db2.gz AHDXYFIGMWLMEQ-UHFFFAOYSA-N 2 2 372.473 0.253 10 0 FCAELP COCC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C[C@H](O)C(F)(F)F ZINC000653788236 493179990 /nfs/dbraw/zinc/17/99/90/493179990.db2.gz BDYFUDIXDILTGN-AWEZNQCLSA-N 2 2 367.412 0.601 10 0 FCAELP COCC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C[C@H](O)C(F)(F)F ZINC000653788236 493179995 /nfs/dbraw/zinc/17/99/95/493179995.db2.gz BDYFUDIXDILTGN-AWEZNQCLSA-N 2 2 367.412 0.601 10 0 FCAELP C[C@@H]1CC[C@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C[NH2+]1 ZINC000627365616 493181772 /nfs/dbraw/zinc/18/17/72/493181772.db2.gz UMKKNBTWSQWVTK-SJORKVTESA-N 2 2 373.501 0.182 10 0 FCAELP O=C(CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000653824728 493185935 /nfs/dbraw/zinc/18/59/35/493185935.db2.gz FXPUWLZJYYNPQG-RBUKOAKNSA-N 2 2 374.485 0.208 10 0 FCAELP O=C(CN1CC[N@H+]2C[C@H](O)C[C@H]2C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000653824728 493185941 /nfs/dbraw/zinc/18/59/41/493185941.db2.gz 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C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868255543 1210047806 /nfs/dbraw/zinc/04/78/06/1210047806.db2.gz DJIKPMHPLVAENN-DLBZAZTESA-N 3 2 361.490 0.439 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868255543 1210047811 /nfs/dbraw/zinc/04/78/11/1210047811.db2.gz DJIKPMHPLVAENN-DLBZAZTESA-N 3 2 361.490 0.439 10 0 FCAELP C[NH+](C)CCN1CCN(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)CC1=O ZINC000869108680 1210084583 /nfs/dbraw/zinc/08/45/83/1210084583.db2.gz PEGOAVTUMAVSBD-QGZVFWFLSA-N 2 2 359.474 0.589 10 0 FCAELP C[NH+](C)CCN1CCN(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)CC1=O ZINC000869108680 1210084587 /nfs/dbraw/zinc/08/45/87/1210084587.db2.gz PEGOAVTUMAVSBD-QGZVFWFLSA-N 2 2 359.474 0.589 10 0 FCAELP CN(CCC[NH2+]C[C@H]1CCc2ncnn21)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001276232036 1211386836 /nfs/dbraw/zinc/38/68/36/1211386836.db2.gz KAYSVCNELIIAHM-RBSFLKMASA-N 2 2 357.462 0.741 10 0 FCAELP 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ZINC000931396741 1211752512 /nfs/dbraw/zinc/75/25/12/1211752512.db2.gz HVVAFMSGRLECMN-BGYRXZFFSA-N 2 2 372.513 0.913 10 0 FCAELP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000932704313 1211817610 /nfs/dbraw/zinc/81/76/10/1211817610.db2.gz SKFZPIJXEJBJBZ-KURKYZTESA-N 2 2 368.522 0.008 10 0 FCAELP CC(=O)N1CCO[C@@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000933627715 1211844673 /nfs/dbraw/zinc/84/46/73/1211844673.db2.gz LDBNCRDTFOTXCW-QGZVFWFLSA-N 2 2 366.506 0.300 10 0 FCAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933754916 1211846806 /nfs/dbraw/zinc/84/68/06/1211846806.db2.gz GPHJMETVNZUHLG-GUXCAODWSA-N 2 2 371.485 0.706 10 0 FCAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933754916 1211846808 /nfs/dbraw/zinc/84/68/08/1211846808.db2.gz GPHJMETVNZUHLG-GUXCAODWSA-N 2 2 371.485 0.706 10 0 FCAELP NC(=O)[C@]12CCC[C@H]1C[N@H+](CCC(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC000933760621 1211846994 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REJFAUXWKUWJBL-SDXDJHTJSA-N 2 2 364.534 0.751 10 0 FCAELP C/C(=C/C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)C[NH+]1CCOCC1 ZINC000900694270 1218025938 /nfs/dbraw/zinc/02/59/38/1218025938.db2.gz CRYNECRJXFQOEI-PEZBUJJGSA-N 2 2 366.506 0.181 10 0 FCAELP C/C(=C/C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)C[NH+]1CCOCC1 ZINC000901067777 1218073408 /nfs/dbraw/zinc/07/34/08/1218073408.db2.gz OAAHMHHYIRUXBW-MJLBXUHQSA-N 2 2 373.497 0.800 10 0 FCAELP C/C(=C/C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)C[NH+]1CCOCC1 ZINC000901067777 1218073413 /nfs/dbraw/zinc/07/34/13/1218073413.db2.gz OAAHMHHYIRUXBW-MJLBXUHQSA-N 2 2 373.497 0.800 10 0 FCAELP C/C(=C/C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C[NH+]1CCOCC1 ZINC000901105683 1218081036 /nfs/dbraw/zinc/08/10/36/1218081036.db2.gz JPVHBDYHXMPFKZ-WAIALKQBSA-N 2 2 364.490 0.030 10 0 FCAELP C/C(=C/C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C[NH+]1CCOCC1 ZINC000901105683 1218081040 /nfs/dbraw/zinc/08/10/40/1218081040.db2.gz JPVHBDYHXMPFKZ-WAIALKQBSA-N 2 2 364.490 0.030 10 0 FCAELP 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ZWJQOHBDCKDFCQ-QFBILLFUSA-N 2 2 361.490 0.922 10 0 FCAELP CS(=O)(=O)NC[C@H]1CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001473776674 1261497245 /nfs/dbraw/zinc/49/72/45/1261497245.db2.gz PHBIMVDNYMYKFK-QZTJIDSGSA-N 2 2 367.515 0.495 10 0 FCAELP CS(=O)(=O)NC[C@H]1CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001473776674 1261497246 /nfs/dbraw/zinc/49/72/46/1261497246.db2.gz PHBIMVDNYMYKFK-QZTJIDSGSA-N 2 2 367.515 0.495 10 0 FCAELP CS(=O)(=O)NC[C@H]1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001473776674 1261497253 /nfs/dbraw/zinc/49/72/53/1261497253.db2.gz PHBIMVDNYMYKFK-QZTJIDSGSA-N 2 2 367.515 0.495 10 0 FCAELP CS(=O)(=O)NC[C@H]1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001473776674 1261497259 /nfs/dbraw/zinc/49/72/59/1261497259.db2.gz PHBIMVDNYMYKFK-QZTJIDSGSA-N 2 2 367.515 0.495 10 0 FCAELP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CCNC(=O)CCn1cc[nH+]c1 ZINC001282552201 1261523524 /nfs/dbraw/zinc/52/35/24/1261523524.db2.gz FDJRCIVBSMJMLW-ZACQAIPSSA-N 2 2 361.490 0.968 10 0 FCAELP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CCNC(=O)CCn1cc[nH+]c1 ZINC001282552201 1261523532 /nfs/dbraw/zinc/52/35/32/1261523532.db2.gz FDJRCIVBSMJMLW-ZACQAIPSSA-N 2 2 361.490 0.968 10 0 FCAELP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001282770073 1261620866 /nfs/dbraw/zinc/62/08/66/1261620866.db2.gz ZZZAJUGCBPTKRG-WCXIOVBPSA-N 2 2 366.506 0.297 10 0 FCAELP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001282770073 1261620877 /nfs/dbraw/zinc/62/08/77/1261620877.db2.gz ZZZAJUGCBPTKRG-WCXIOVBPSA-N 2 2 366.506 0.297 10 0 FCAELP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001282770073 1261620887 /nfs/dbraw/zinc/62/08/87/1261620887.db2.gz ZZZAJUGCBPTKRG-WCXIOVBPSA-N 2 2 366.506 0.297 10 0 FCAELP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001282770073 1261620893 /nfs/dbraw/zinc/62/08/93/1261620893.db2.gz ZZZAJUGCBPTKRG-WCXIOVBPSA-N 2 2 366.506 0.297 10 0 FCAELP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001282785206 1261628741 /nfs/dbraw/zinc/62/87/41/1261628741.db2.gz JXQPONBHVDDKLR-JJXSEGSLSA-N 2 2 359.474 0.645 10 0 FCAELP COC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001283065148 1261667368 /nfs/dbraw/zinc/66/73/68/1261667368.db2.gz AKNUZNWQICDYKO-ZKXLYKBJSA-N 2 2 369.506 0.386 10 0 FCAELP O=C(CC[NH+]1CCCCC1)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]21 ZINC001284165572 1261735526 /nfs/dbraw/zinc/73/55/26/1261735526.db2.gz APPQCNORKVLHTO-RMWBKXBUSA-N 2 2 371.485 0.962 10 0 FCAELP O=C(CC[NH+]1CCCCC1)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]21 ZINC001284165572 1261735532 /nfs/dbraw/zinc/73/55/32/1261735532.db2.gz APPQCNORKVLHTO-RMWBKXBUSA-N 2 2 371.485 0.962 10 0 FCAELP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CN(C(=O)CCCC[NH+](C)C)C1 ZINC001286034724 1261905365 /nfs/dbraw/zinc/90/53/65/1261905365.db2.gz MIARCQIWBXDFAL-HZPDHXFCSA-N 2 2 361.490 0.925 10 0 FCAELP C[NH+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001288963487 1262052505 /nfs/dbraw/zinc/05/25/05/1262052505.db2.gz MINCQUMMCVPSGX-ARFHVFGLSA-N 2 2 359.474 0.457 10 0 FCAELP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001291627099 1262569457 /nfs/dbraw/zinc/56/94/57/1262569457.db2.gz JZKLISBQJLOVJT-BZUAXINKSA-N 2 2 361.490 0.895 10 0 FCAELP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001291627099 1262569464 /nfs/dbraw/zinc/56/94/64/1262569464.db2.gz JZKLISBQJLOVJT-BZUAXINKSA-N 2 2 361.490 0.895 10 0 FCAELP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001291627099 1262569472 /nfs/dbraw/zinc/56/94/72/1262569472.db2.gz JZKLISBQJLOVJT-BZUAXINKSA-N 2 2 361.490 0.895 10 0 FCAELP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001291627099 1262569474 /nfs/dbraw/zinc/56/94/74/1262569474.db2.gz JZKLISBQJLOVJT-BZUAXINKSA-N 2 2 361.490 0.895 10 0 FCAELP Cc1c[nH+]cn1CC(=O)NC[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1)C2 ZINC001292361925 1262691711 /nfs/dbraw/zinc/69/17/11/1262691711.db2.gz NFLJTOASWMCIEK-LPHOPBHVSA-N 2 2 370.457 0.833 10 0 FCAELP CC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1)C2 ZINC001292362152 1262691747 /nfs/dbraw/zinc/69/17/47/1262691747.db2.gz SFXNJNIXSDPQIC-LPHOPBHVSA-N 2 2 361.490 0.970 10 0 FCAELP CC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1)C2 ZINC001292362152 1262691751 /nfs/dbraw/zinc/69/17/51/1262691751.db2.gz SFXNJNIXSDPQIC-LPHOPBHVSA-N 2 2 361.490 0.970 10 0 FCAELP CC[C@@H]1C[C@H]1C(=O)N1CC[NH+](CCCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001294663548 1262739523 /nfs/dbraw/zinc/73/95/23/1262739523.db2.gz NZTINDNGVOSKRK-IAGOWNOFSA-N 2 2 361.490 0.888 10 0 FCAELP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001479478674 1263214751 /nfs/dbraw/zinc/21/47/51/1263214751.db2.gz JPZSLLXCOQBYBJ-FRRDWIJNSA-N 2 2 364.450 0.061 10 0 FCAELP Cn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001479493745 1263222287 /nfs/dbraw/zinc/22/22/87/1263222287.db2.gz JFVPQVCUEPDNJU-DLBZAZTESA-N 2 2 371.489 0.717 10 0 FCAELP Cn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001479493745 1263222302 /nfs/dbraw/zinc/22/23/02/1263222302.db2.gz JFVPQVCUEPDNJU-DLBZAZTESA-N 2 2 371.489 0.717 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCO[C@@H]2CCOC2)C1 ZINC001480157969 1263425390 /nfs/dbraw/zinc/42/53/90/1263425390.db2.gz FXNAJJMYNSYTHU-WRQOLXDDSA-N 2 2 362.474 0.956 10 0 FCAELP C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C[NH2+]CCN2CCCC2=O)C1 ZINC001316696735 1263426138 /nfs/dbraw/zinc/42/61/38/1263426138.db2.gz KVJAFNKEDFAHQA-IXDOHACOSA-N 2 2 366.506 0.156 10 0 FCAELP C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C[NH2+]CCN2CCCC2=O)C1 ZINC001316696735 1263426141 /nfs/dbraw/zinc/42/61/41/1263426141.db2.gz KVJAFNKEDFAHQA-IXDOHACOSA-N 2 2 366.506 0.156 10 0 FCAELP C[C@@H]1[C@H](C(=O)N(C)C2C[NH+](C[C@H](O)COC3CCOCC3)C2)CC[N@@H+]1C ZINC001483865721 1263448383 /nfs/dbraw/zinc/44/83/83/1263448383.db2.gz UFGJRBKPGZMRLC-UWWQBHOKSA-N 2 2 369.506 0.026 10 0 FCAELP C[C@@H]1[C@H](C(=O)N(C)C2C[NH+](C[C@H](O)COC3CCOCC3)C2)CC[N@H+]1C ZINC001483865721 1263448388 /nfs/dbraw/zinc/44/83/88/1263448388.db2.gz UFGJRBKPGZMRLC-UWWQBHOKSA-N 2 2 369.506 0.026 10 0 FCAELP O=C(C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCOCC1)N1CCC1 ZINC001484183194 1263457771 /nfs/dbraw/zinc/45/77/71/1263457771.db2.gz BBZIBHPJZSJIFA-ZIAGYGMSSA-N 2 2 361.446 0.001 10 0 FCAELP NC(=O)NC(=O)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001316772498 1263467327 /nfs/dbraw/zinc/46/73/27/1263467327.db2.gz QIKSOYJXDFAIPA-YNEHKIRRSA-N 2 2 362.434 0.069 10 0 FCAELP NC(=O)NC(=O)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001316772498 1263467330 /nfs/dbraw/zinc/46/73/30/1263467330.db2.gz QIKSOYJXDFAIPA-YNEHKIRRSA-N 2 2 362.434 0.069 10 0 FCAELP CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC1 ZINC001484583022 1263479758 /nfs/dbraw/zinc/47/97/58/1263479758.db2.gz SKNSXFVSQXXLKD-HUUCEWRRSA-N 2 2 359.474 0.584 10 0 FCAELP CCOCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001484702094 1263483496 /nfs/dbraw/zinc/48/34/96/1263483496.db2.gz SNDBPZKZYQDKCQ-CEXWTWQISA-N 2 2 366.550 0.972 10 0 FCAELP CCOCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001484702094 1263483501 /nfs/dbraw/zinc/48/35/01/1263483501.db2.gz SNDBPZKZYQDKCQ-CEXWTWQISA-N 2 2 366.550 0.972 10 0 FCAELP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001316801964 1263492387 /nfs/dbraw/zinc/49/23/87/1263492387.db2.gz STOIMWYGYOVVAL-ILXRZTDVSA-N 2 2 367.494 0.143 10 0 FCAELP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001316801964 1263492389 /nfs/dbraw/zinc/49/23/89/1263492389.db2.gz STOIMWYGYOVVAL-ILXRZTDVSA-N 2 2 367.494 0.143 10 0 FCAELP CCCCNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001316801964 1263492391 /nfs/dbraw/zinc/49/23/91/1263492391.db2.gz STOIMWYGYOVVAL-ILXRZTDVSA-N 2 2 367.494 0.143 10 0 FCAELP CCCCNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001316801964 1263492393 /nfs/dbraw/zinc/49/23/93/1263492393.db2.gz STOIMWYGYOVVAL-ILXRZTDVSA-N 2 2 367.494 0.143 10 0 FCAELP CC(C)COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001317211991 1263505060 /nfs/dbraw/zinc/50/50/60/1263505060.db2.gz GGSJPAFSGFGSLM-OAEZHTQQSA-N 2 2 362.474 0.593 10 0 FCAELP CC(C)COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001317211991 1263505064 /nfs/dbraw/zinc/50/50/64/1263505064.db2.gz GGSJPAFSGFGSLM-OAEZHTQQSA-N 2 2 362.474 0.593 10 0 FCAELP CC(C)COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001317211991 1263505067 /nfs/dbraw/zinc/50/50/67/1263505067.db2.gz GGSJPAFSGFGSLM-OAEZHTQQSA-N 2 2 362.474 0.593 10 0 FCAELP CC(C)COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001317211991 1263505074 /nfs/dbraw/zinc/50/50/74/1263505074.db2.gz GGSJPAFSGFGSLM-OAEZHTQQSA-N 2 2 362.474 0.593 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2cc(C(C)(C)C)on2)CC[N@@H+]1C ZINC001485994454 1263520075 /nfs/dbraw/zinc/52/00/75/1263520075.db2.gz ASCZZNNUTYIYJI-BPLDGKMQSA-N 2 2 352.479 0.879 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2cc(C(C)(C)C)on2)CC[N@H+]1C ZINC001485994454 1263520086 /nfs/dbraw/zinc/52/00/86/1263520086.db2.gz ASCZZNNUTYIYJI-BPLDGKMQSA-N 2 2 352.479 0.879 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC(=O)NC(C)(C)C)C2)CC[N@@H+]1C ZINC001318253628 1263555176 /nfs/dbraw/zinc/55/51/76/1263555176.db2.gz VCCGFHXOZUWHLK-HZSPNIEDSA-N 2 2 367.494 0.141 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC(=O)NC(C)(C)C)C2)CC[N@H+]1C ZINC001318253628 1263555183 /nfs/dbraw/zinc/55/51/83/1263555183.db2.gz VCCGFHXOZUWHLK-HZSPNIEDSA-N 2 2 367.494 0.141 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)NC(=O)NC(C)(C)C)C2)CC[NH+]1C ZINC001318253628 1263555190 /nfs/dbraw/zinc/55/51/90/1263555190.db2.gz VCCGFHXOZUWHLK-HZSPNIEDSA-N 2 2 367.494 0.141 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C2)CC[NH+]1C ZINC001318253628 1263555200 /nfs/dbraw/zinc/55/52/00/1263555200.db2.gz VCCGFHXOZUWHLK-HZSPNIEDSA-N 2 2 367.494 0.141 10 0 FCAELP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC001318501669 1263582567 /nfs/dbraw/zinc/58/25/67/1263582567.db2.gz YTHNPGKWCCEVOC-SNAWJCMRSA-N 2 2 366.381 0.625 10 0 FCAELP CC[C@@H](C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)[NH+](C)C ZINC001487438136 1263605921 /nfs/dbraw/zinc/60/59/21/1263605921.db2.gz WSVLWOKWYQAWIF-QCODTGAPSA-N 2 2 361.490 0.875 10 0 FCAELP CCN(C(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)C1CC1 ZINC001491809952 1263625287 /nfs/dbraw/zinc/62/52/87/1263625287.db2.gz CZFJDKYKDPFTOF-NUEKZKHPSA-N 2 2 359.474 0.962 10 0 FCAELP CCN(C(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)C1CC1 ZINC001491809952 1263625299 /nfs/dbraw/zinc/62/52/99/1263625299.db2.gz CZFJDKYKDPFTOF-NUEKZKHPSA-N 2 2 359.474 0.962 10 0 FCAELP CN(C(=O)C1C[C@@H]2COC[C@H](C1)C2=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001319015527 1263640652 /nfs/dbraw/zinc/64/06/52/1263640652.db2.gz GOTXATPQDKWJSZ-MMNRESRNSA-N 2 2 363.502 0.855 10 0 FCAELP CN(C(=O)C1C[C@@H]2COC[C@H](C1)C2=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001319015527 1263640660 /nfs/dbraw/zinc/64/06/60/1263640660.db2.gz GOTXATPQDKWJSZ-MMNRESRNSA-N 2 2 363.502 0.855 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCC[C@@H]2CC[NH+](Cc3ncnn3CCF)C2)CC[N@@H+]1C ZINC001494022612 1263749080 /nfs/dbraw/zinc/74/90/80/1263749080.db2.gz XWEKZQCNLKTJBO-BZUAXINKSA-N 2 2 366.485 0.916 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCC[C@@H]2CC[NH+](Cc3ncnn3CCF)C2)CC[N@H+]1C ZINC001494022612 1263749091 /nfs/dbraw/zinc/74/90/91/1263749091.db2.gz XWEKZQCNLKTJBO-BZUAXINKSA-N 2 2 366.485 0.916 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCC[C@@H]2CC[N@H+](Cc3ncnn3CCF)C2)CC[NH+]1C ZINC001494022612 1263749097 /nfs/dbraw/zinc/74/90/97/1263749097.db2.gz XWEKZQCNLKTJBO-BZUAXINKSA-N 2 2 366.485 0.916 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCC[C@@H]2CC[N@@H+](Cc3ncnn3CCF)C2)CC[NH+]1C ZINC001494022612 1263749111 /nfs/dbraw/zinc/74/91/11/1263749111.db2.gz XWEKZQCNLKTJBO-BZUAXINKSA-N 2 2 366.485 0.916 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CCCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001494317668 1263764588 /nfs/dbraw/zinc/76/45/88/1263764588.db2.gz PWZYQFRACHCPOP-HRCADAONSA-N 2 2 359.536 0.732 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CCCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001494317668 1263764592 /nfs/dbraw/zinc/76/45/92/1263764592.db2.gz PWZYQFRACHCPOP-HRCADAONSA-N 2 2 359.536 0.732 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@H+](CCCS(C)(=O)=O)C2)CC[NH+]1C ZINC001494317668 1263764600 /nfs/dbraw/zinc/76/46/00/1263764600.db2.gz PWZYQFRACHCPOP-HRCADAONSA-N 2 2 359.536 0.732 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCCS(C)(=O)=O)C2)CC[NH+]1C ZINC001494317668 1263764608 /nfs/dbraw/zinc/76/46/08/1263764608.db2.gz PWZYQFRACHCPOP-HRCADAONSA-N 2 2 359.536 0.732 10 0 FCAELP CN(C)c1cccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC001320236154 1263775852 /nfs/dbraw/zinc/77/58/52/1263775852.db2.gz VEVVPFQGLUTSJB-GVDBMIGSSA-N 2 2 357.458 0.846 10 0 FCAELP CN(C)c1cccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC001320236154 1263775858 /nfs/dbraw/zinc/77/58/58/1263775858.db2.gz VEVVPFQGLUTSJB-GVDBMIGSSA-N 2 2 357.458 0.846 10 0 FCAELP NC(=O)NC(=O)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001496399372 1263878691 /nfs/dbraw/zinc/87/86/91/1263878691.db2.gz MNRSSKZGEDFPMY-JHJVBQTASA-N 2 2 362.434 0.069 10 0 FCAELP NC(=O)NC(=O)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001496399372 1263878708 /nfs/dbraw/zinc/87/87/08/1263878708.db2.gz MNRSSKZGEDFPMY-JHJVBQTASA-N 2 2 362.434 0.069 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCS(C)(=O)=O ZINC001499928459 1264051055 /nfs/dbraw/zinc/05/10/55/1264051055.db2.gz XEIKJVNKTNQQQB-MGPQQGTHSA-N 2 2 354.476 0.149 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@]1(C)CC[N@H+](CCNC(=O)C2CC2)C1 ZINC001500260982 1264060886 /nfs/dbraw/zinc/06/08/86/1264060886.db2.gz DPJPDPIIFVIBHK-SPYBWZPUSA-N 2 2 359.474 0.630 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001500260982 1264060894 /nfs/dbraw/zinc/06/08/94/1264060894.db2.gz DPJPDPIIFVIBHK-SPYBWZPUSA-N 2 2 359.474 0.630 10 0 FCAELP COCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001500364193 1264066625 /nfs/dbraw/zinc/06/66/25/1264066625.db2.gz MTRBZARFSKBJKX-ZIFCJYIRSA-N 2 2 369.506 0.341 10 0 FCAELP CCOCCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001500729474 1264086621 /nfs/dbraw/zinc/08/66/21/1264086621.db2.gz MIECDJIOAWAMJR-RKVPGOIHSA-N 2 2 350.463 0.503 10 0 FCAELP 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C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[N@H+](C)CCCN1CCCC1=O ZINC001506003706 1264286831 /nfs/dbraw/zinc/28/68/31/1264286831.db2.gz KLVBFRJECAVEPA-BZUAXINKSA-N 2 2 361.490 0.973 10 0 FCAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[N@@H+](C)CCCN1CCCC1=O ZINC001506003706 1264286839 /nfs/dbraw/zinc/28/68/39/1264286839.db2.gz KLVBFRJECAVEPA-BZUAXINKSA-N 2 2 361.490 0.973 10 0 FCAELP O=C(C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)NCc1ccco1 ZINC001506886847 1264345641 /nfs/dbraw/zinc/34/56/41/1264345641.db2.gz SGBYWNIGNRLSSR-RRCSTGOVSA-N 2 2 371.441 0.907 10 0 FCAELP O=C(C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)NCc1ccco1 ZINC001506886847 1264345653 /nfs/dbraw/zinc/34/56/53/1264345653.db2.gz SGBYWNIGNRLSSR-RRCSTGOVSA-N 2 2 371.441 0.907 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@H+](CCOCCO)CC2 ZINC001507350044 1264363174 /nfs/dbraw/zinc/36/31/74/1264363174.db2.gz IVPVQWMLINIZJX-RRIFGTCXSA-N 2 2 362.474 0.646 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@@H+](CCOCCO)CC2 ZINC001507350044 1264363177 /nfs/dbraw/zinc/36/31/77/1264363177.db2.gz IVPVQWMLINIZJX-RRIFGTCXSA-N 2 2 362.474 0.646 10 0 FCAELP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001511956818 1264606992 /nfs/dbraw/zinc/60/69/92/1264606992.db2.gz FLMGOTBDLOJRHQ-NEXFUWMNSA-N 2 2 359.474 0.961 10 0 FCAELP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001511956818 1264607000 /nfs/dbraw/zinc/60/70/00/1264607000.db2.gz FLMGOTBDLOJRHQ-NEXFUWMNSA-N 2 2 359.474 0.961 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@]4(CC4(F)F)C3)C2)CC1 ZINC001326644066 1265148663 /nfs/dbraw/zinc/14/86/63/1265148663.db2.gz DEQGUUKFWPKVLK-CXAGYDPISA-N 2 2 370.444 0.529 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@]4(CC4(F)F)C3)C2)CC1 ZINC001326644066 1265148667 /nfs/dbraw/zinc/14/86/67/1265148667.db2.gz DEQGUUKFWPKVLK-CXAGYDPISA-N 2 2 370.444 0.529 10 0 FCAELP C[C@@H]([NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCOCC1)C(=O)N(C)C ZINC001327638398 1265382869 /nfs/dbraw/zinc/38/28/69/1265382869.db2.gz IITFQQZNJORYGM-MGPQQGTHSA-N 2 2 363.462 0.245 10 0 FCAELP C[C@@H]([NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCOCC1)C(=O)N(C)C ZINC001327638398 1265382880 /nfs/dbraw/zinc/38/28/80/1265382880.db2.gz IITFQQZNJORYGM-MGPQQGTHSA-N 2 2 363.462 0.245 10 0 FCAELP C[NH+]1CCC2(CCN2C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC001332982181 1266515240 /nfs/dbraw/zinc/51/52/40/1266515240.db2.gz VQXYPVIZCHVPOX-UHFFFAOYSA-N 2 2 362.478 0.917 10 0 FCAELP CN(CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001523776780 1266659479 /nfs/dbraw/zinc/65/94/79/1266659479.db2.gz BUHQRRAIJNHYJU-ARFHVFGLSA-N 2 2 361.490 0.830 10 0 FCAELP CN(CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001523776780 1266659490 /nfs/dbraw/zinc/65/94/90/1266659490.db2.gz BUHQRRAIJNHYJU-ARFHVFGLSA-N 2 2 361.490 0.830 10 0 FCAELP 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CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1OC ZINC001683325416 1283942503 /nfs/dbraw/zinc/94/25/03/1283942503.db2.gz HCDBLRCKLAGVAD-RRCSTGOVSA-N 2 2 363.462 0.197 10 0 FCAELP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001684491503 1284188217 /nfs/dbraw/zinc/18/82/17/1284188217.db2.gz VUSQTUWWUWXGKL-UXLLHSPISA-N 2 2 361.490 0.848 10 0 FCAELP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001684491503 1284188225 /nfs/dbraw/zinc/18/82/25/1284188225.db2.gz VUSQTUWWUWXGKL-UXLLHSPISA-N 2 2 361.490 0.848 10 0 FCAELP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001719098551 1287722105 /nfs/dbraw/zinc/72/21/05/1287722105.db2.gz ISULGOFAWCKPBV-RRFJBIMHSA-N 2 2 365.478 0.252 10 0 FCAELP CC[C@H](C(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1O)[NH+](C)C ZINC001719109598 1287759268 /nfs/dbraw/zinc/75/92/68/1287759268.db2.gz QNQOMMHCJSZPBA-BZUAXINKSA-N 2 2 359.430 0.205 10 0 FCAELP 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C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]Cc2nnn(C(C)(C)C)n2)CC[N@H+]1C ZINC001268794156 859542025 /nfs/dbraw/zinc/54/20/25/859542025.db2.gz XQBVFNSWJLJDDA-ZIAGYGMSSA-N 2 2 351.499 0.706 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH+](C)Cc2coc(C)n2)CC[N@@H+]1C ZINC001284491453 864569519 /nfs/dbraw/zinc/56/95/19/864569519.db2.gz BCNGHDPSOJKZHO-YESZJQIVSA-N 2 2 352.479 0.964 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH+](C)Cc2coc(C)n2)CC[N@H+]1C ZINC001284491453 864569522 /nfs/dbraw/zinc/56/95/22/864569522.db2.gz BCNGHDPSOJKZHO-YESZJQIVSA-N 2 2 352.479 0.964 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc2coc(C)n2)CC[NH+]1C ZINC001284491453 864569532 /nfs/dbraw/zinc/56/95/32/864569532.db2.gz BCNGHDPSOJKZHO-YESZJQIVSA-N 2 2 352.479 0.964 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc2coc(C)n2)CC[NH+]1C ZINC001284491453 864569541 /nfs/dbraw/zinc/56/95/41/864569541.db2.gz BCNGHDPSOJKZHO-YESZJQIVSA-N 2 2 352.479 0.964 10 0 FCAELP CC[C@@H](F)C(=O)N1CC[NH+](CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001294667467 865847195 /nfs/dbraw/zinc/84/71/95/865847195.db2.gz BUSUICZQXQKTIQ-BZUAXINKSA-N 2 2 356.486 0.725 10 0 FCAELP CC[C@@H](F)C(=O)N1CC[NH+](CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001294667467 865847211 /nfs/dbraw/zinc/84/72/11/865847211.db2.gz BUSUICZQXQKTIQ-BZUAXINKSA-N 2 2 356.486 0.725 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@]1(C)CC1(F)F ZINC001350182837 866526039 /nfs/dbraw/zinc/52/60/39/866526039.db2.gz UCHXJDNLXQOMGN-MRXNPFEDSA-N 2 2 360.449 0.632 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@]1(C)CC1(F)F ZINC001350182837 866526044 /nfs/dbraw/zinc/52/60/44/866526044.db2.gz UCHXJDNLXQOMGN-MRXNPFEDSA-N 2 2 360.449 0.632 10 0 FCAELP CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H]1CC ZINC001316742708 867442661 /nfs/dbraw/zinc/44/26/61/867442661.db2.gz TUCBWXUHJQMIIX-XHSDSOJGSA-N 2 2 354.495 0.202 10 0 FCAELP CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H]1CC ZINC001316742708 867442671 /nfs/dbraw/zinc/44/26/71/867442671.db2.gz TUCBWXUHJQMIIX-XHSDSOJGSA-N 2 2 354.495 0.202 10 0 FCAELP CCCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H]1CC ZINC001316742708 867442681 /nfs/dbraw/zinc/44/26/81/867442681.db2.gz TUCBWXUHJQMIIX-XHSDSOJGSA-N 2 2 354.495 0.202 10 0 FCAELP CCCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H]1CC ZINC001316742708 867442689 /nfs/dbraw/zinc/44/26/89/867442689.db2.gz TUCBWXUHJQMIIX-XHSDSOJGSA-N 2 2 354.495 0.202 10 0 FCAELP CCS(=O)(=O)CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001316782534 867472421 /nfs/dbraw/zinc/47/24/21/867472421.db2.gz GIFRZMAVXYKADM-PVAVHDDUSA-N 2 2 371.547 0.732 10 0 FCAELP CCS(=O)(=O)CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001316782534 867472424 /nfs/dbraw/zinc/47/24/24/867472424.db2.gz GIFRZMAVXYKADM-PVAVHDDUSA-N 2 2 371.547 0.732 10 0 FCAELP CCS(=O)(=O)CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001316782533 867473162 /nfs/dbraw/zinc/47/31/62/867473162.db2.gz GIFRZMAVXYKADM-OIISXLGYSA-N 2 2 371.547 0.732 10 0 FCAELP CCS(=O)(=O)CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001316782533 867473167 /nfs/dbraw/zinc/47/31/67/867473167.db2.gz GIFRZMAVXYKADM-OIISXLGYSA-N 2 2 371.547 0.732 10 0 FCAELP COCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001316979636 867516473 /nfs/dbraw/zinc/51/64/73/867516473.db2.gz DRMGYVKUIIRFQM-BBWFWOEESA-N 2 2 355.479 0.093 10 0 FCAELP COCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001316979636 867516484 /nfs/dbraw/zinc/51/64/84/867516484.db2.gz DRMGYVKUIIRFQM-BBWFWOEESA-N 2 2 355.479 0.093 10 0 FCAELP CCN(CC[NH2+]C[C@H]1CCCS(=O)(=O)C1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001320758155 868266605 /nfs/dbraw/zinc/26/66/05/868266605.db2.gz DGNMZTFLWMAIPC-RBSFLKMASA-N 2 2 368.503 0.776 10 0 FCAELP CCN(CC[NH2+]C[C@H]1CCCS(=O)(=O)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001320758155 868266618 /nfs/dbraw/zinc/26/66/18/868266618.db2.gz DGNMZTFLWMAIPC-RBSFLKMASA-N 2 2 368.503 0.776 10 0 FCAELP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H]1F ZINC001322724311 868920574 /nfs/dbraw/zinc/92/05/74/868920574.db2.gz KINFCMNLSDDCOT-IIAWOOMASA-N 2 2 354.470 0.478 10 0 FCAELP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H]1F ZINC001322724311 868920582 /nfs/dbraw/zinc/92/05/82/868920582.db2.gz KINFCMNLSDDCOT-IIAWOOMASA-N 2 2 354.470 0.478 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3C[C@H]4CCC[C@@H](C3)C4O)C2)CC1 ZINC001322940841 868997596 /nfs/dbraw/zinc/99/75/96/868997596.db2.gz CQCZNSVONBTWHJ-MNTYIPCHSA-N 2 2 350.507 0.957 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3C[C@H]4CCC[C@@H](C3)C4O)C2)CC1 ZINC001322940841 868997607 /nfs/dbraw/zinc/99/76/07/868997607.db2.gz CQCZNSVONBTWHJ-MNTYIPCHSA-N 2 2 350.507 0.957 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@@](C)(F)C1 ZINC001328320886 871361712 /nfs/dbraw/zinc/36/17/12/871361712.db2.gz PGENAWBOZUPUCH-GOSISDBHSA-N 2 2 356.486 0.821 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@@](C)(F)C1 ZINC001328320886 871361732 /nfs/dbraw/zinc/36/17/32/871361732.db2.gz PGENAWBOZUPUCH-GOSISDBHSA-N 2 2 356.486 0.821 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCC[C@H]3CC3(F)F)C2)CC1 ZINC001331077633 872948024 /nfs/dbraw/zinc/94/80/24/872948024.db2.gz LXXGBKPHKDGVAL-QWHCGFSZSA-N 2 2 358.433 0.433 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCC[C@H]3CC3(F)F)C2)CC1 ZINC001331077633 872948031 /nfs/dbraw/zinc/94/80/31/872948031.db2.gz LXXGBKPHKDGVAL-QWHCGFSZSA-N 2 2 358.433 0.433 10 0 FCAELP Cc1nc(CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cs1 ZINC001332521661 873542297 /nfs/dbraw/zinc/54/22/97/873542297.db2.gz IDSUKMFCZDKQNY-RRFJBIMHSA-N 2 2 363.487 0.930 10 0 FCAELP Cc1nc(CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cs1 ZINC001332521661 873542303 /nfs/dbraw/zinc/54/23/03/873542303.db2.gz IDSUKMFCZDKQNY-RRFJBIMHSA-N 2 2 363.487 0.930 10 0 FCAELP O=C(C[N@H+]1CCOC[C@H](O)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000295685191 214312423 /nfs/dbraw/zinc/31/24/23/214312423.db2.gz SDPHSHIXKWLWNN-QGZVFWFLSA-N 2 2 365.499 0.867 10 0 FCAELP O=C(C[N@@H+]1CCOC[C@H](O)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000295685191 214312426 /nfs/dbraw/zinc/31/24/26/214312426.db2.gz SDPHSHIXKWLWNN-QGZVFWFLSA-N 2 2 365.499 0.867 10 0 FCAELP C[C@H](CNC(=O)CN1C[C@@H](C)[NH+](C)[C@@H](C)C1)[N@@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000930580547 674041337 /nfs/dbraw/zinc/04/13/37/674041337.db2.gz VBGSTCCJCIUIDY-SFFUCWETSA-N 2 2 353.555 0.540 10 0 FCAELP C[C@H](CNC(=O)CN1C[C@@H](C)[NH+](C)[C@@H](C)C1)[N@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000930580547 674041333 /nfs/dbraw/zinc/04/13/33/674041333.db2.gz VBGSTCCJCIUIDY-SFFUCWETSA-N 2 2 353.555 0.540 10 0 FCAELP C[C@H](CNC(=O)CN1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)[NH+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000930580547 674041326 /nfs/dbraw/zinc/04/13/26/674041326.db2.gz VBGSTCCJCIUIDY-SFFUCWETSA-N 2 2 353.555 0.540 10 0 FCAELP C[C@H](CNC(=O)CN1C[C@@H](C)[N@H+](C)[C@@H](C)C1)[NH+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000930580547 674041329 /nfs/dbraw/zinc/04/13/29/674041329.db2.gz VBGSTCCJCIUIDY-SFFUCWETSA-N 2 2 353.555 0.540 10 0 FCAELP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000930755239 674055657 /nfs/dbraw/zinc/05/56/57/674055657.db2.gz DDVOMYKGNUFTJT-GFCCVEGCSA-N 2 2 355.508 0.667 10 0 FCAELP C[NH+]1CCN(C(=O)Cc2noc([C@H]3CCC[N@@H+]3C3CCOCC3)n2)CC1 ZINC000333218089 215251527 /nfs/dbraw/zinc/25/15/27/215251527.db2.gz RCNGPPBOBOIGAA-OAHLLOKOSA-N 2 2 363.462 0.702 10 0 FCAELP C[NH+]1CCN(C(=O)Cc2noc([C@H]3CCC[N@H+]3C3CCOCC3)n2)CC1 ZINC000333218089 215251529 /nfs/dbraw/zinc/25/15/29/215251529.db2.gz RCNGPPBOBOIGAA-OAHLLOKOSA-N 2 2 363.462 0.702 10 0 FCAELP Cn1cc(C(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)c([C@H]2CCC[NH2+]C2)n1 ZINC000333459651 215284039 /nfs/dbraw/zinc/28/40/39/215284039.db2.gz GESNKNPYRBWZQZ-GOEBONIOSA-N 2 2 371.489 0.750 10 0 FCAELP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333645926 215305509 /nfs/dbraw/zinc/30/55/09/215305509.db2.gz JABVHYSMZSHVQV-IAGOWNOFSA-N 2 2 365.522 0.857 10 0 FCAELP CN1C[C@H](NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1=O ZINC000361358724 215390746 /nfs/dbraw/zinc/39/07/46/215390746.db2.gz NGDIJMSVLVMDRZ-OAHLLOKOSA-N 2 2 351.495 0.467 10 0 FCAELP CO[C@H]1C[C@@H]([N@H+](C)CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000285364343 213330228 /nfs/dbraw/zinc/33/02/28/213330228.db2.gz MCGPWLBYJGZPDA-OKILXGFUSA-N 2 2 373.461 0.121 10 0 FCAELP CO[C@H]1C[C@@H]([N@@H+](C)CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000285364343 213330233 /nfs/dbraw/zinc/33/02/33/213330233.db2.gz MCGPWLBYJGZPDA-OKILXGFUSA-N 2 2 373.461 0.121 10 0 FCAELP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000284848781 213232951 /nfs/dbraw/zinc/23/29/51/213232951.db2.gz CPZOZVREGMUZIE-KRWDZBQOSA-N 2 2 358.486 0.582 10 0 FCAELP O=C1NC(=O)[C@@]2(CCC[N@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)N1 ZINC000284797804 213222852 /nfs/dbraw/zinc/22/28/52/213222852.db2.gz OKDHOMCHDMHARX-PXNSSMCTSA-N 2 2 372.469 0.952 10 0 FCAELP O=C1NC(=O)[C@@]2(CCC[N@@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)N1 ZINC000284797804 213222855 /nfs/dbraw/zinc/22/28/55/213222855.db2.gz OKDHOMCHDMHARX-PXNSSMCTSA-N 2 2 372.469 0.952 10 0 FCAELP O=C1NC(=O)[C@@]2(CCC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)N1 ZINC000284797804 213222858 /nfs/dbraw/zinc/22/28/58/213222858.db2.gz OKDHOMCHDMHARX-PXNSSMCTSA-N 2 2 372.469 0.952 10 0 FCAELP O=C1NC(=O)[C@@]2(CCC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)N1 ZINC000284797804 213222861 /nfs/dbraw/zinc/22/28/61/213222861.db2.gz OKDHOMCHDMHARX-PXNSSMCTSA-N 2 2 372.469 0.952 10 0 FCAELP O=C(NCCCC[NH+]1CCOCC1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000284679024 213196029 /nfs/dbraw/zinc/19/60/29/213196029.db2.gz NXCFMCPNAJAACW-UHFFFAOYSA-N 2 2 359.430 0.179 10 0 FCAELP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000284324931 213112424 /nfs/dbraw/zinc/11/24/24/213112424.db2.gz PYDWLFVBWVCPSI-OAHLLOKOSA-N 2 2 370.457 0.732 10 0 FCAELP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000284324931 213112428 /nfs/dbraw/zinc/11/24/28/213112428.db2.gz PYDWLFVBWVCPSI-OAHLLOKOSA-N 2 2 370.457 0.732 10 0 FCAELP O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000284208744 213098317 /nfs/dbraw/zinc/09/83/17/213098317.db2.gz DTHVUJRDFUEBLA-OAHLLOKOSA-N 2 2 363.462 0.692 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000367850662 216171711 /nfs/dbraw/zinc/17/17/11/216171711.db2.gz RNPUDXIEYDACKL-HKUYNNGSSA-N 3 2 352.523 0.487 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000367850662 216171715 /nfs/dbraw/zinc/17/17/15/216171715.db2.gz RNPUDXIEYDACKL-HKUYNNGSSA-N 3 2 352.523 0.487 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000367850662 216171719 /nfs/dbraw/zinc/17/17/19/216171719.db2.gz RNPUDXIEYDACKL-HKUYNNGSSA-N 3 2 352.523 0.487 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000367850662 216171723 /nfs/dbraw/zinc/17/17/23/216171723.db2.gz RNPUDXIEYDACKL-HKUYNNGSSA-N 3 2 352.523 0.487 10 0 FCAELP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NCc3ccc(OCC(N)=O)cc3)CC[C@H]21 ZINC000246730177 209399875 /nfs/dbraw/zinc/39/98/75/209399875.db2.gz GDQKUOOMRIBKGK-SJLPKXTDSA-N 2 2 374.485 0.583 10 0 FCAELP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NCc3ccc(OCC(N)=O)cc3)CC[C@H]21 ZINC000246730177 209399879 /nfs/dbraw/zinc/39/98/79/209399879.db2.gz GDQKUOOMRIBKGK-SJLPKXTDSA-N 2 2 374.485 0.583 10 0 FCAELP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NCc3ccc(OCC(N)=O)cc3)CC[C@H]21 ZINC000246730177 209399881 /nfs/dbraw/zinc/39/98/81/209399881.db2.gz GDQKUOOMRIBKGK-SJLPKXTDSA-N 2 2 374.485 0.583 10 0 FCAELP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NCc3ccc(OCC(N)=O)cc3)CC[C@H]21 ZINC000246730177 209399884 /nfs/dbraw/zinc/39/98/84/209399884.db2.gz GDQKUOOMRIBKGK-SJLPKXTDSA-N 2 2 374.485 0.583 10 0 FCAELP Cn1cc(C[N@@H+]2CCCN(c3cc(N4CCC[C@H]4CO)[nH+]cn3)CC2)cn1 ZINC000246665204 209396203 /nfs/dbraw/zinc/39/62/03/209396203.db2.gz AUJBAAQHBBHRQY-KRWDZBQOSA-N 2 2 371.489 0.884 10 0 FCAELP Cn1cc(C[N@H+]2CCCN(c3cc(N4CCC[C@H]4CO)[nH+]cn3)CC2)cn1 ZINC000246665204 209396206 /nfs/dbraw/zinc/39/62/06/209396206.db2.gz AUJBAAQHBBHRQY-KRWDZBQOSA-N 2 2 371.489 0.884 10 0 FCAELP C[C@@H]1CN(C(=O)CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C[C@@H](C)O1 ZINC000245605195 209370812 /nfs/dbraw/zinc/37/08/12/209370812.db2.gz JXDZLFHIHNRAMN-ZWRCUJBNSA-N 2 2 364.534 0.865 10 0 FCAELP C[C@@H]1CN(C(=O)CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C[C@@H](C)O1 ZINC000245605195 209370816 /nfs/dbraw/zinc/37/08/16/209370816.db2.gz JXDZLFHIHNRAMN-ZWRCUJBNSA-N 2 2 364.534 0.865 10 0 FCAELP C[C@@H]1CN(C(=O)C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C[C@@H](C)O1 ZINC000245605195 209370819 /nfs/dbraw/zinc/37/08/19/209370819.db2.gz JXDZLFHIHNRAMN-ZWRCUJBNSA-N 2 2 364.534 0.865 10 0 FCAELP C[C@@H]1CN(C(=O)C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C[C@@H](C)O1 ZINC000245605195 209370822 /nfs/dbraw/zinc/37/08/22/209370822.db2.gz JXDZLFHIHNRAMN-ZWRCUJBNSA-N 2 2 364.534 0.865 10 0 FCAELP C(C[N@@H+]1CCC[C@H]1CN1CCOCC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000245467177 209367106 /nfs/dbraw/zinc/36/71/06/209367106.db2.gz ZJVIRZJWQOFTFJ-PMACEKPBSA-N 2 2 366.550 0.580 10 0 FCAELP C(C[N@H+]1CCC[C@H]1CN1CCOCC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000245467177 209367111 /nfs/dbraw/zinc/36/71/11/209367111.db2.gz ZJVIRZJWQOFTFJ-PMACEKPBSA-N 2 2 366.550 0.580 10 0 FCAELP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245419479 209366283 /nfs/dbraw/zinc/36/62/83/209366283.db2.gz HAQSUZSMEUSTAB-GOEBONIOSA-N 2 2 351.495 0.465 10 0 FCAELP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245419479 209366291 /nfs/dbraw/zinc/36/62/91/209366291.db2.gz HAQSUZSMEUSTAB-GOEBONIOSA-N 2 2 351.495 0.465 10 0 FCAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CCN2C(=O)CNC2=O)C1 ZINC000195263392 209335199 /nfs/dbraw/zinc/33/51/99/209335199.db2.gz UZJDZTKWIWDKNX-CYBMUJFWSA-N 2 2 351.476 0.757 10 0 FCAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CCN2C(=O)CNC2=O)C1 ZINC000195263392 209335203 /nfs/dbraw/zinc/33/52/03/209335203.db2.gz UZJDZTKWIWDKNX-CYBMUJFWSA-N 2 2 351.476 0.757 10 0 FCAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC000195263392 209335205 /nfs/dbraw/zinc/33/52/05/209335205.db2.gz UZJDZTKWIWDKNX-CYBMUJFWSA-N 2 2 351.476 0.757 10 0 FCAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC000195263392 209335209 /nfs/dbraw/zinc/33/52/09/209335209.db2.gz UZJDZTKWIWDKNX-CYBMUJFWSA-N 2 2 351.476 0.757 10 0 FCAELP COC(=O)CCNC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195259384 209335317 /nfs/dbraw/zinc/33/53/17/209335317.db2.gz MQQQOJFQWMQVOD-AWEZNQCLSA-N 2 2 368.503 0.885 10 0 FCAELP COC(=O)CCNC(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195259384 209335321 /nfs/dbraw/zinc/33/53/21/209335321.db2.gz MQQQOJFQWMQVOD-AWEZNQCLSA-N 2 2 368.503 0.885 10 0 FCAELP COC(=O)CCNC(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195259384 209335324 /nfs/dbraw/zinc/33/53/24/209335324.db2.gz MQQQOJFQWMQVOD-AWEZNQCLSA-N 2 2 368.503 0.885 10 0 FCAELP COC(=O)CCNC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195259384 209335332 /nfs/dbraw/zinc/33/53/32/209335332.db2.gz MQQQOJFQWMQVOD-AWEZNQCLSA-N 2 2 368.503 0.885 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCCC[NH+]3CCOCC3)C2)CC1 ZINC000369391534 216393630 /nfs/dbraw/zinc/39/36/30/216393630.db2.gz AHDWHNCCBFXNFE-KRWDZBQOSA-N 3 2 367.538 0.567 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCCC[NH+]3CCOCC3)C2)CC1 ZINC000369391534 216393633 /nfs/dbraw/zinc/39/36/33/216393633.db2.gz AHDWHNCCBFXNFE-KRWDZBQOSA-N 3 2 367.538 0.567 10 0 FCAELP C[NH+]1C[C@]2(C)C[NH+](CCOc3ccc(S(N)(=O)=O)cc3)C[C@@]2(C)C1 ZINC000931304505 674107999 /nfs/dbraw/zinc/10/79/99/674107999.db2.gz NXYWDRPCVPPTLX-IAGOWNOFSA-N 2 2 353.488 0.986 10 0 FCAELP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000415194672 245359479 /nfs/dbraw/zinc/35/94/79/245359479.db2.gz LYVVVVSKPCVZCL-OAHLLOKOSA-N 2 2 362.474 0.914 10 0 FCAELP CN(C)c1cc[nH+]cc1C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000183624403 209150228 /nfs/dbraw/zinc/15/02/28/209150228.db2.gz XHGXCIHUEBBSOO-UHFFFAOYSA-N 2 2 359.474 0.918 10 0 FCAELP CN(C)c1cc[nH+]cc1C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000183624403 209150231 /nfs/dbraw/zinc/15/02/31/209150231.db2.gz XHGXCIHUEBBSOO-UHFFFAOYSA-N 2 2 359.474 0.918 10 0 FCAELP COC1(OC)CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@@H]1O ZINC000931632565 674123836 /nfs/dbraw/zinc/12/38/36/674123836.db2.gz SOYAAKHFOCEWOZ-ROUUACIJSA-N 2 2 350.459 0.679 10 0 FCAELP COC1(OC)CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@@H]1O ZINC000931632565 674123838 /nfs/dbraw/zinc/12/38/38/674123838.db2.gz SOYAAKHFOCEWOZ-ROUUACIJSA-N 2 2 350.459 0.679 10 0 FCAELP COC1(OC)CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000931632565 674123841 /nfs/dbraw/zinc/12/38/41/674123841.db2.gz SOYAAKHFOCEWOZ-ROUUACIJSA-N 2 2 350.459 0.679 10 0 FCAELP COC1(OC)CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000931632565 674123843 /nfs/dbraw/zinc/12/38/43/674123843.db2.gz SOYAAKHFOCEWOZ-ROUUACIJSA-N 2 2 350.459 0.679 10 0 FCAELP Cn1cc([C@H]2C[NH2+]CCN2C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cn1 ZINC000181414558 209112678 /nfs/dbraw/zinc/11/26/78/209112678.db2.gz SHMQBQGXPITTGA-MOPGFXCFSA-N 2 2 369.469 0.794 10 0 FCAELP Cn1cc([C@H]2C[NH2+]CCN2C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cn1 ZINC000181414558 209112680 /nfs/dbraw/zinc/11/26/80/209112680.db2.gz SHMQBQGXPITTGA-MOPGFXCFSA-N 2 2 369.469 0.794 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)n1 ZINC000931659111 674127898 /nfs/dbraw/zinc/12/78/98/674127898.db2.gz QCOXPBIIWMFULF-ZDUSSCGKSA-N 2 2 353.492 0.374 10 0 FCAELP O=C(NCc1ccc(N2CCCC2)[nH+]c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419203472 246051475 /nfs/dbraw/zinc/05/14/75/246051475.db2.gz HZUREKBWZUQFCY-IYBDPMFKSA-N 2 2 357.458 0.651 10 0 FCAELP C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C[N@@H+]1CCO ZINC000419327873 246099979 /nfs/dbraw/zinc/09/99/79/246099979.db2.gz NYLWTPQXSYVHPF-MOPGFXCFSA-N 2 2 374.529 0.718 10 0 FCAELP C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C[N@H+]1CCO ZINC000419327873 246099984 /nfs/dbraw/zinc/09/99/84/246099984.db2.gz NYLWTPQXSYVHPF-MOPGFXCFSA-N 2 2 374.529 0.718 10 0 FCAELP CCN(C(=O)C(=O)NCc1nc(C[NH+](C)C)cs1)[C@@H]1CC[N@H+](C)C1 ZINC000931666397 674129746 /nfs/dbraw/zinc/12/97/46/674129746.db2.gz FAYCFJVTCFBVCS-CYBMUJFWSA-N 2 2 353.492 0.374 10 0 FCAELP CCN(C(=O)C(=O)NCc1nc(C[NH+](C)C)cs1)[C@@H]1CC[N@@H+](C)C1 ZINC000931666397 674129747 /nfs/dbraw/zinc/12/97/47/674129747.db2.gz FAYCFJVTCFBVCS-CYBMUJFWSA-N 2 2 353.492 0.374 10 0 FCAELP [NH3+]C[C@@H](NC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1)C1CCCC1 ZINC000419645901 246227828 /nfs/dbraw/zinc/22/78/28/246227828.db2.gz KNACXWNVBQEQEE-MRXNPFEDSA-N 2 2 359.474 0.800 10 0 FCAELP CC1(C)CN(C(=O)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[NH2+]1 ZINC000419645767 246228997 /nfs/dbraw/zinc/22/89/97/246228997.db2.gz PYJJLABFLORXLR-UHFFFAOYSA-N 2 2 355.442 0.758 10 0 FCAELP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cc1 ZINC000419688325 246249420 /nfs/dbraw/zinc/24/94/20/246249420.db2.gz RFAWAYXRUKDGKR-KKUMJFAQSA-N 2 2 362.474 0.548 10 0 FCAELP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419710138 246263857 /nfs/dbraw/zinc/26/38/57/246263857.db2.gz LCXPVOSHXDOLML-CQSZACIVSA-N 2 2 364.877 0.683 10 0 FCAELP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419710138 246263864 /nfs/dbraw/zinc/26/38/64/246263864.db2.gz LCXPVOSHXDOLML-CQSZACIVSA-N 2 2 364.877 0.683 10 0 FCAELP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419715318 246266180 /nfs/dbraw/zinc/26/61/80/246266180.db2.gz VCPBVGOGVDPRJO-AWEZNQCLSA-N 2 2 364.877 0.683 10 0 FCAELP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419715318 246266184 /nfs/dbraw/zinc/26/61/84/246266184.db2.gz VCPBVGOGVDPRJO-AWEZNQCLSA-N 2 2 364.877 0.683 10 0 FCAELP [NH3+][C@H](CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000419933335 246375831 /nfs/dbraw/zinc/37/58/31/246375831.db2.gz QLYMZJBEGDVROH-DLBZAZTESA-N 2 2 360.458 0.126 10 0 FCAELP C[NH2+]CCNC(=O)C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000419878603 246345859 /nfs/dbraw/zinc/34/58/59/246345859.db2.gz RZEIDUUVNJIUFS-UHFFFAOYSA-N 2 2 368.865 0.199 10 0 FCAELP C[C@H](NC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000419902441 246359669 /nfs/dbraw/zinc/35/96/69/246359669.db2.gz UOJRXVCCQLNZNL-GVDBMIGSSA-N 2 2 366.506 0.204 10 0 FCAELP O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000419954499 246386325 /nfs/dbraw/zinc/38/63/25/246386325.db2.gz RCXHQPFMHIDVCK-AWEZNQCLSA-N 2 2 350.488 0.651 10 0 FCAELP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)s1 ZINC000422999290 246944236 /nfs/dbraw/zinc/94/42/36/246944236.db2.gz SHWADFSXMJOUAS-DZGCQCFKSA-N 2 2 359.517 0.691 10 0 FCAELP CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC000423423698 247023958 /nfs/dbraw/zinc/02/39/58/247023958.db2.gz MKCBMKQWZVKDRJ-UHFFFAOYSA-N 2 2 374.489 0.282 10 0 FCAELP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000423379150 247016436 /nfs/dbraw/zinc/01/64/36/247016436.db2.gz GISPZEDQNFWLJX-OXJNMPFZSA-N 2 2 373.501 0.803 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N3CCC[C@@H](CC[NH3+])C3)CC2)cc[nH+]1 ZINC000423415492 247022212 /nfs/dbraw/zinc/02/22/12/247022212.db2.gz AQAKTUJFTOTBEU-HNNXBMFYSA-N 2 2 360.462 0.021 10 0 FCAELP C[NH2+]C1CCN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000423609589 247075319 /nfs/dbraw/zinc/07/53/19/247075319.db2.gz MCJQQRHIPIWDJP-INIZCTEOSA-N 2 2 358.486 0.930 10 0 FCAELP 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CCOCC[N@H+]1CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)C[C@H]1CC ZINC000247147737 488482788 /nfs/dbraw/zinc/48/27/88/488482788.db2.gz PRJXLKVDBNQPFO-IAGOWNOFSA-N 2 2 356.511 0.849 10 0 FCAELP COCCCNC(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000247561845 488487917 /nfs/dbraw/zinc/48/79/17/488487917.db2.gz GDWWRBFJXKVXOD-QZTJIDSGSA-N 2 2 370.538 0.254 10 0 FCAELP COCCCNC(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000247561845 488487919 /nfs/dbraw/zinc/48/79/19/488487919.db2.gz GDWWRBFJXKVXOD-QZTJIDSGSA-N 2 2 370.538 0.254 10 0 FCAELP CC[C@H](O)C[NH+]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000248448709 488496585 /nfs/dbraw/zinc/49/65/85/488496585.db2.gz HUSNDFDHQKYYFM-ULQDDVLXSA-N 2 2 370.538 0.972 10 0 FCAELP CC[C@@H]1CN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC[N@@H+]1C[C@@H](C)O ZINC000248455166 488496712 /nfs/dbraw/zinc/49/67/12/488496712.db2.gz HTAJQHQHVALVKQ-QBPKDAKJSA-N 2 2 356.511 0.582 10 0 FCAELP CC[C@@H]1CN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC[N@H+]1C[C@@H](C)O ZINC000248455166 488496713 /nfs/dbraw/zinc/49/67/13/488496713.db2.gz HTAJQHQHVALVKQ-QBPKDAKJSA-N 2 2 356.511 0.582 10 0 FCAELP C[C@H](CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)N1CCOCC1 ZINC000105124510 488507664 /nfs/dbraw/zinc/50/76/64/488507664.db2.gz VPOLUCJATRBIQI-MRXNPFEDSA-N 2 2 355.527 0.375 10 0 FCAELP C[C@H](CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)N1CCOCC1 ZINC000105124510 488507667 /nfs/dbraw/zinc/50/76/67/488507667.db2.gz VPOLUCJATRBIQI-MRXNPFEDSA-N 2 2 355.527 0.375 10 0 FCAELP C[C@H](CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000105124510 488507670 /nfs/dbraw/zinc/50/76/70/488507670.db2.gz VPOLUCJATRBIQI-MRXNPFEDSA-N 3 2 355.527 0.375 10 0 FCAELP C[C@H](CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000105124510 488507673 /nfs/dbraw/zinc/50/76/73/488507673.db2.gz VPOLUCJATRBIQI-MRXNPFEDSA-N 3 2 355.527 0.375 10 0 FCAELP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000250346823 488515867 /nfs/dbraw/zinc/51/58/67/488515867.db2.gz YWAKLBOLNMJPIF-CEXWTWQISA-N 2 2 354.539 0.170 10 0 FCAELP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000250346823 488515869 /nfs/dbraw/zinc/51/58/69/488515869.db2.gz YWAKLBOLNMJPIF-CEXWTWQISA-N 2 2 354.539 0.170 10 0 FCAELP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000250346829 488516160 /nfs/dbraw/zinc/51/61/60/488516160.db2.gz YWAKLBOLNMJPIF-GUDVDZBRSA-N 2 2 354.539 0.170 10 0 FCAELP CN(CC1CC1)C(=O)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000111241364 488529137 /nfs/dbraw/zinc/52/91/37/488529137.db2.gz DKRDPLWTZBAMCR-UHFFFAOYSA-N 2 2 350.507 0.731 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCCN(C(N)=O)CC2)CC1 ZINC000111687135 488531251 /nfs/dbraw/zinc/53/12/51/488531251.db2.gz PIWSEUYWBYHOLZ-KRWDZBQOSA-N 2 2 373.501 0.978 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCCN(C(N)=O)CC2)CC1 ZINC000111687135 488531254 /nfs/dbraw/zinc/53/12/54/488531254.db2.gz PIWSEUYWBYHOLZ-KRWDZBQOSA-N 2 2 373.501 0.978 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCCN(C(N)=O)CC2)CC1 ZINC000111687136 488531612 /nfs/dbraw/zinc/53/16/12/488531612.db2.gz PIWSEUYWBYHOLZ-QGZVFWFLSA-N 2 2 373.501 0.978 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCCN(C(N)=O)CC2)CC1 ZINC000111687136 488531613 /nfs/dbraw/zinc/53/16/13/488531613.db2.gz PIWSEUYWBYHOLZ-QGZVFWFLSA-N 2 2 373.501 0.978 10 0 FCAELP COCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC1 ZINC000271633827 488533572 /nfs/dbraw/zinc/53/35/72/488533572.db2.gz RKAKELAKGNVZKX-UHFFFAOYSA-N 2 2 359.430 0.808 10 0 FCAELP CCOCC[N@@H+]1CCN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)C[C@H]1CC ZINC000117031469 488549884 /nfs/dbraw/zinc/54/98/84/488549884.db2.gz MQTHNCWGFVSEHC-IAGOWNOFSA-N 2 2 356.511 0.849 10 0 FCAELP CCOCC[N@H+]1CCN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)C[C@H]1CC ZINC000117031469 488549886 /nfs/dbraw/zinc/54/98/86/488549886.db2.gz MQTHNCWGFVSEHC-IAGOWNOFSA-N 2 2 356.511 0.849 10 0 FCAELP CCOCC[N@@H+]1CCN(C(=O)NCCC[NH+]2CCOCC2)C[C@H]1CC ZINC000117023428 488550172 /nfs/dbraw/zinc/55/01/72/488550172.db2.gz ZGMGLJXNBBUJRS-QGZVFWFLSA-N 2 2 356.511 0.851 10 0 FCAELP CCOCC[N@H+]1CCN(C(=O)NCCC[NH+]2CCOCC2)C[C@H]1CC ZINC000117023428 488550174 /nfs/dbraw/zinc/55/01/74/488550174.db2.gz ZGMGLJXNBBUJRS-QGZVFWFLSA-N 2 2 356.511 0.851 10 0 FCAELP CC[C@H]1CN(C(=O)NC2CC[NH+](CCN(C)C)CC2)CC[N@@H+]1CCOC ZINC000117475882 488551243 /nfs/dbraw/zinc/55/12/43/488551243.db2.gz GBBSLOJBIHGPQM-SFHVURJKSA-N 2 2 369.554 0.765 10 0 FCAELP CC[C@H]1CN(C(=O)NC2CC[NH+](CCN(C)C)CC2)CC[N@H+]1CCOC ZINC000117475882 488551244 /nfs/dbraw/zinc/55/12/44/488551244.db2.gz GBBSLOJBIHGPQM-SFHVURJKSA-N 2 2 369.554 0.765 10 0 FCAELP CCN1CC[NH+](CCCCNC(=O)N2CC[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC000117478755 488551490 /nfs/dbraw/zinc/55/14/90/488551490.db2.gz CVWCFUIGYGFEAV-SFHVURJKSA-N 2 2 369.554 0.766 10 0 FCAELP CCN1CC[NH+](CCCCNC(=O)N2CC[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC000117478755 488551492 /nfs/dbraw/zinc/55/14/92/488551492.db2.gz CVWCFUIGYGFEAV-SFHVURJKSA-N 2 2 369.554 0.766 10 0 FCAELP CC[NH+]1CCN(CCCCNC(=O)N2CC[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC000117478755 488551494 /nfs/dbraw/zinc/55/14/94/488551494.db2.gz CVWCFUIGYGFEAV-SFHVURJKSA-N 2 2 369.554 0.766 10 0 FCAELP CC[NH+]1CCN(CCCCNC(=O)N2CC[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC000117478755 488551496 /nfs/dbraw/zinc/55/14/96/488551496.db2.gz CVWCFUIGYGFEAV-SFHVURJKSA-N 2 2 369.554 0.766 10 0 FCAELP COCC[N@@H+]1CCN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000117474146 488551512 /nfs/dbraw/zinc/55/15/12/488551512.db2.gz BPXWIJOFDZHTNX-YESZJQIVSA-N 2 2 356.511 0.848 10 0 FCAELP COCC[N@H+]1CCN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000117474146 488551513 /nfs/dbraw/zinc/55/15/13/488551513.db2.gz BPXWIJOFDZHTNX-YESZJQIVSA-N 2 2 356.511 0.848 10 0 FCAELP COCC[NH+]1CCN(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000117474146 488551516 /nfs/dbraw/zinc/55/15/16/488551516.db2.gz BPXWIJOFDZHTNX-YESZJQIVSA-N 2 2 356.511 0.848 10 0 FCAELP COCC[NH+]1CCN(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000117474146 488551517 /nfs/dbraw/zinc/55/15/17/488551517.db2.gz BPXWIJOFDZHTNX-YESZJQIVSA-N 2 2 356.511 0.848 10 0 FCAELP CC[C@@H]1CN(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC000117493015 488551574 /nfs/dbraw/zinc/55/15/74/488551574.db2.gz SVLKQWBUMWMKOF-GVDBMIGSSA-N 2 2 356.511 0.848 10 0 FCAELP CC[C@@H]1CN(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC000117493015 488551575 /nfs/dbraw/zinc/55/15/75/488551575.db2.gz SVLKQWBUMWMKOF-GVDBMIGSSA-N 2 2 356.511 0.848 10 0 FCAELP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119002868 488554991 /nfs/dbraw/zinc/55/49/91/488554991.db2.gz AHEIVXGHENJXEE-JCYILVPMSA-N 2 2 356.511 0.441 10 0 FCAELP CC(C)C[C@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)C(=O)NCC[NH+](C)C ZINC000133443029 488660165 /nfs/dbraw/zinc/66/01/65/488660165.db2.gz CFSMZLXKJIYGEF-GJZGRUSLSA-N 2 2 352.483 0.663 10 0 FCAELP CC(C)[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(N)=O ZINC000135329765 488672547 /nfs/dbraw/zinc/67/25/47/488672547.db2.gz TXHKGAVHQRQTQC-HNNXBMFYSA-N 2 2 353.511 0.746 10 0 FCAELP COc1ccnc(N2CC[NH+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)n1 ZINC000140254996 488686027 /nfs/dbraw/zinc/68/60/27/488686027.db2.gz VNCQNUGYWZGAIM-UHFFFAOYSA-N 2 2 374.489 0.350 10 0 FCAELP Cc1nc(N2CCN(C(=O)NCC[NH+]3CCSCC3)CC2)cc[nH+]1 ZINC000274196989 488689754 /nfs/dbraw/zinc/68/97/54/488689754.db2.gz LKXRMECZWQGINY-UHFFFAOYSA-N 2 2 350.492 0.665 10 0 FCAELP CN(CC[NH+]1CCN(c2ccccc2)CC1)C[C@H](O)C[NH+]1CCOCC1 ZINC000151162865 488702401 /nfs/dbraw/zinc/70/24/01/488702401.db2.gz XASJZVIFPDOPHM-FQEVSTJZSA-N 2 2 362.518 0.434 10 0 FCAELP C[N@H+](CC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[C@@H]1CCSC1 ZINC000157166707 488769630 /nfs/dbraw/zinc/76/96/30/488769630.db2.gz SYPSETFNKPFMQT-MRXNPFEDSA-N 2 2 368.547 0.484 10 0 FCAELP C[N@@H+](CC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[C@@H]1CCSC1 ZINC000157166707 488769632 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0.858 10 0 FCAELP C[C@@H](O)C[N@@H+]1CCN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)C[C@@H]1C ZINC000170936844 488818237 /nfs/dbraw/zinc/81/82/37/488818237.db2.gz BNSPWNWCJVDBGM-DLBZAZTESA-N 2 2 364.490 0.311 10 0 FCAELP C[C@@H](O)C[N@H+]1CCN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)C[C@@H]1C ZINC000170936844 488818238 /nfs/dbraw/zinc/81/82/38/488818238.db2.gz BNSPWNWCJVDBGM-DLBZAZTESA-N 2 2 364.490 0.311 10 0 FCAELP C[C@H](C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000171814259 488827105 /nfs/dbraw/zinc/82/71/05/488827105.db2.gz TXBMHWNDKMNRRX-IEBWSBKVSA-N 2 2 360.502 0.500 10 0 FCAELP Cn1cc(C[N@@H+]2CCCN(C(=O)CCCC[NH+]3CCOCC3)CC2)cn1 ZINC000171810268 488827371 /nfs/dbraw/zinc/82/73/71/488827371.db2.gz KZQJGRPBWMSTSX-UHFFFAOYSA-N 2 2 363.506 0.957 10 0 FCAELP Cn1cc(C[N@H+]2CCCN(C(=O)CCCC[NH+]3CCOCC3)CC2)cn1 ZINC000171810268 488827372 /nfs/dbraw/zinc/82/73/72/488827372.db2.gz KZQJGRPBWMSTSX-UHFFFAOYSA-N 2 2 363.506 0.957 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CCC[C@@H](C(N)=O)C3)CC2)CC1 ZINC000172573098 488835629 /nfs/dbraw/zinc/83/56/29/488835629.db2.gz RUDFPKKITFDLAC-ZBFHGGJFSA-N 2 2 365.522 0.888 10 0 FCAELP C[NH+]1CCN(Cc2cccc(C(=O)N3CC[C@H]([NH+]4CCOCC4)C3)c2)CC1 ZINC000173329817 488842239 /nfs/dbraw/zinc/84/22/39/488842239.db2.gz QWQZHVBRCOPVFD-FQEVSTJZSA-N 2 2 372.513 0.981 10 0 FCAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)nc[nH+]1 ZINC000173419496 488842672 /nfs/dbraw/zinc/84/26/72/488842672.db2.gz UJMWDUPFDQEBIT-HUUCEWRRSA-N 2 2 359.478 0.977 10 0 FCAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)nc[nH+]1 ZINC000173419496 488842673 /nfs/dbraw/zinc/84/26/73/488842673.db2.gz UJMWDUPFDQEBIT-HUUCEWRRSA-N 2 2 359.478 0.977 10 0 FCAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)[nH+]cn1 ZINC000173419496 488842674 /nfs/dbraw/zinc/84/26/74/488842674.db2.gz UJMWDUPFDQEBIT-HUUCEWRRSA-N 2 2 359.478 0.977 10 0 FCAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)[nH+]cn1 ZINC000173419496 488842675 /nfs/dbraw/zinc/84/26/75/488842675.db2.gz UJMWDUPFDQEBIT-HUUCEWRRSA-N 2 2 359.478 0.977 10 0 FCAELP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C[C@@H](C)O1 ZINC000173772732 488845273 /nfs/dbraw/zinc/84/52/73/488845273.db2.gz HFRFDKJGFZDYSH-ZACQAIPSSA-N 2 2 354.495 0.602 10 0 FCAELP O=C(CC[N@@H+]1CC[C@@H](N2CCOCC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000173937870 488846529 /nfs/dbraw/zinc/84/65/29/488846529.db2.gz VNRHVTGYGATBHY-GOSISDBHSA-N 2 2 373.501 0.527 10 0 FCAELP O=C(CC[N@H+]1CC[C@@H](N2CCOCC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000173937870 488846530 /nfs/dbraw/zinc/84/65/30/488846530.db2.gz VNRHVTGYGATBHY-GOSISDBHSA-N 2 2 373.501 0.527 10 0 FCAELP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[C@H]([NH+]4CCOCC4)C3)cc2)CC1 ZINC000173978684 488846727 /nfs/dbraw/zinc/84/67/27/488846727.db2.gz YDFUODSUYWOLOE-FQEVSTJZSA-N 2 2 372.513 0.981 10 0 FCAELP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000174238503 488848188 /nfs/dbraw/zinc/84/81/88/488848188.db2.gz UZJQXAWBPNUNRC-MRXNPFEDSA-N 2 2 353.511 0.666 10 0 FCAELP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000174238503 488848189 /nfs/dbraw/zinc/84/81/89/488848189.db2.gz UZJQXAWBPNUNRC-MRXNPFEDSA-N 2 2 353.511 0.666 10 0 FCAELP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C[C@@H]1C ZINC000174305623 488848403 /nfs/dbraw/zinc/84/84/03/488848403.db2.gz QDJJXZYEXCIWSA-JKSUJKDBSA-N 2 2 361.490 0.361 10 0 FCAELP C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C[C@@H]1C ZINC000174305623 488848404 /nfs/dbraw/zinc/84/84/04/488848404.db2.gz QDJJXZYEXCIWSA-JKSUJKDBSA-N 2 2 361.490 0.361 10 0 FCAELP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@@H]3C[N@H+](C)CCO3)c2)CC1 ZINC000174679712 488850586 /nfs/dbraw/zinc/85/05/86/488850586.db2.gz APECXLVNXWUXSY-KRWDZBQOSA-N 2 2 360.458 0.272 10 0 FCAELP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@@H]3C[N@@H+](C)CCO3)c2)CC1 ZINC000174679712 488850587 /nfs/dbraw/zinc/85/05/87/488850587.db2.gz APECXLVNXWUXSY-KRWDZBQOSA-N 2 2 360.458 0.272 10 0 FCAELP CCOC(=O)CCCNC(=O)C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174874284 488851759 /nfs/dbraw/zinc/85/17/59/488851759.db2.gz IHZHELHZTNLYJY-KRWDZBQOSA-N 2 2 368.522 0.548 10 0 FCAELP CCOC(=O)CCCNC(=O)C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174874284 488851760 /nfs/dbraw/zinc/85/17/60/488851760.db2.gz IHZHELHZTNLYJY-KRWDZBQOSA-N 2 2 368.522 0.548 10 0 FCAELP COc1ccc(C(=O)NCC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000174994970 488852694 /nfs/dbraw/zinc/85/26/94/488852694.db2.gz SQGWUFNHMZMGJT-UHFFFAOYSA-N 2 2 362.474 0.567 10 0 FCAELP CN1CC[C@@H](NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1=O ZINC000175192778 488853441 /nfs/dbraw/zinc/85/34/41/488853441.db2.gz ADEYXZWRYDXPHH-OAHLLOKOSA-N 2 2 351.495 0.467 10 0 FCAELP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C[C@H]1[NH+]1CCOCC1 ZINC000175741499 488855182 /nfs/dbraw/zinc/85/51/82/488855182.db2.gz CSAQBHZNKZUGGA-HZPDHXFCSA-N 2 2 354.495 0.459 10 0 FCAELP C[C@@H]1CN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C[C@H]1[NH+]1CCOCC1 ZINC000175741499 488855183 /nfs/dbraw/zinc/85/51/83/488855183.db2.gz CSAQBHZNKZUGGA-HZPDHXFCSA-N 2 2 354.495 0.459 10 0 FCAELP CC[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC[N@@H+]1CCOC ZINC000179315999 488861048 /nfs/dbraw/zinc/86/10/48/488861048.db2.gz GVZGIBRXEWLCCE-QGZVFWFLSA-N 3 2 369.554 0.765 10 0 FCAELP CC[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC[N@H+]1CCOC ZINC000179315999 488861049 /nfs/dbraw/zinc/86/10/49/488861049.db2.gz GVZGIBRXEWLCCE-QGZVFWFLSA-N 3 2 369.554 0.765 10 0 FCAELP CC[C@H](CO)[NH+]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000179408193 488861230 /nfs/dbraw/zinc/86/12/30/488861230.db2.gz IEFRHBBYOHYROF-HXUWFJFHSA-N 2 2 374.529 0.719 10 0 FCAELP C[C@@H]1OCC[C@@]1(O)CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000364895377 489015087 /nfs/dbraw/zinc/01/50/87/489015087.db2.gz UVRMSYWCUWUZLA-QFBILLFUSA-N 2 2 368.522 0.776 10 0 FCAELP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)c(=O)n2C ZINC000563216094 491228495 /nfs/dbraw/zinc/22/84/95/491228495.db2.gz FLZQBDSCMQMSNS-LSDHHAIUSA-N 2 2 374.489 0.430 10 0 FCAELP Cn1cnc2c1c(=O)n(CCC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)c(=O)n2C ZINC000563216094 491228497 /nfs/dbraw/zinc/22/84/97/491228497.db2.gz FLZQBDSCMQMSNS-LSDHHAIUSA-N 2 2 374.489 0.430 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(n3cccn3)CC2)C1 ZINC000365160047 489044240 /nfs/dbraw/zinc/04/42/40/489044240.db2.gz NEHGFBZNSRRTAF-SFHVURJKSA-N 2 2 363.506 0.993 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(n3cccn3)CC2)C1 ZINC000365160047 489044241 /nfs/dbraw/zinc/04/42/41/489044241.db2.gz NEHGFBZNSRRTAF-SFHVURJKSA-N 2 2 363.506 0.993 10 0 FCAELP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)[C@H](C)C1 ZINC000289511397 489073315 /nfs/dbraw/zinc/07/33/15/489073315.db2.gz ABPQHNYSLSABAP-ZACQAIPSSA-N 2 2 373.501 0.965 10 0 FCAELP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)[C@H](C)C1 ZINC000289511397 489073316 /nfs/dbraw/zinc/07/33/16/489073316.db2.gz ABPQHNYSLSABAP-ZACQAIPSSA-N 2 2 373.501 0.965 10 0 FCAELP CN(C(=O)CNC(=O)c1cccnc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000366240776 489162484 /nfs/dbraw/zinc/16/24/84/489162484.db2.gz QHHWENZMSAJAPL-KRWDZBQOSA-N 2 2 359.474 0.438 10 0 FCAELP CN(C(=O)CNC(=O)c1cccnc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000366240776 489162486 /nfs/dbraw/zinc/16/24/86/489162486.db2.gz QHHWENZMSAJAPL-KRWDZBQOSA-N 2 2 359.474 0.438 10 0 FCAELP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)CC1 ZINC000332751612 489225160 /nfs/dbraw/zinc/22/51/60/489225160.db2.gz DFILYRIWOCORFK-KZNAEPCWSA-N 2 2 367.538 0.375 10 0 FCAELP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000332751612 489225163 /nfs/dbraw/zinc/22/51/63/489225163.db2.gz DFILYRIWOCORFK-KZNAEPCWSA-N 2 2 367.538 0.375 10 0 FCAELP O=C(NCCn1cc[nH+]c1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000283210659 489227153 /nfs/dbraw/zinc/22/71/53/489227153.db2.gz AISOMMYBWJBTLN-UHFFFAOYSA-N 2 2 355.442 0.912 10 0 FCAELP C[NH+]1CCN(C(=O)CC[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)CC1 ZINC000283237070 489231083 /nfs/dbraw/zinc/23/10/83/489231083.db2.gz UOFXHZAYWAKPSE-HOTGVXAUSA-N 2 2 351.447 0.568 10 0 FCAELP C[NH+]1CCN(C(=O)CC[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)CC1 ZINC000283237070 489231085 /nfs/dbraw/zinc/23/10/85/489231085.db2.gz UOFXHZAYWAKPSE-HOTGVXAUSA-N 2 2 351.447 0.568 10 0 FCAELP C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)[C@H](C)C1 ZINC000287293605 489475835 /nfs/dbraw/zinc/47/58/35/489475835.db2.gz ZQTBQMFVDHEZOF-CABCVRRESA-N 2 2 358.446 0.864 10 0 FCAELP C[C@H](O)C[N@H+]1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)[C@H](C)C1 ZINC000287293605 489475837 /nfs/dbraw/zinc/47/58/37/489475837.db2.gz ZQTBQMFVDHEZOF-CABCVRRESA-N 2 2 358.446 0.864 10 0 FCAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000570675532 491257008 /nfs/dbraw/zinc/25/70/08/491257008.db2.gz PFPALFUZXOEIOH-LSDHHAIUSA-N 2 2 352.431 0.855 10 0 FCAELP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000570675532 491257011 /nfs/dbraw/zinc/25/70/11/491257011.db2.gz PFPALFUZXOEIOH-LSDHHAIUSA-N 2 2 352.431 0.855 10 0 FCAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000570675530 491257224 /nfs/dbraw/zinc/25/72/24/491257224.db2.gz PFPALFUZXOEIOH-GJZGRUSLSA-N 2 2 352.431 0.855 10 0 FCAELP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000570675530 491257227 /nfs/dbraw/zinc/25/72/27/491257227.db2.gz PFPALFUZXOEIOH-GJZGRUSLSA-N 2 2 352.431 0.855 10 0 FCAELP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC000555667438 491263766 /nfs/dbraw/zinc/26/37/66/491263766.db2.gz JMGGEJZSHZEOMP-JKSUJKDBSA-N 2 2 368.522 0.402 10 0 FCAELP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC000555667438 491263769 /nfs/dbraw/zinc/26/37/69/491263769.db2.gz JMGGEJZSHZEOMP-JKSUJKDBSA-N 2 2 368.522 0.402 10 0 FCAELP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000416291768 489577013 /nfs/dbraw/zinc/57/70/13/489577013.db2.gz IBTNOSSSAFJWMM-IRXDYDNUSA-N 2 2 361.490 0.117 10 0 FCAELP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000416291768 489577016 /nfs/dbraw/zinc/57/70/16/489577016.db2.gz IBTNOSSSAFJWMM-IRXDYDNUSA-N 2 2 361.490 0.117 10 0 FCAELP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000416292803 489578433 /nfs/dbraw/zinc/57/84/33/489578433.db2.gz JFDUHEHGFSVBQI-HOTGVXAUSA-N 2 2 361.490 0.361 10 0 FCAELP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000416292803 489578437 /nfs/dbraw/zinc/57/84/37/489578437.db2.gz JFDUHEHGFSVBQI-HOTGVXAUSA-N 2 2 361.490 0.361 10 0 FCAELP CNS(=O)(=O)CCC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000427025413 489591505 /nfs/dbraw/zinc/59/15/05/489591505.db2.gz AIRWVVJMKMGPAI-UHFFFAOYSA-N 2 2 354.520 0.960 10 0 FCAELP CNS(=O)(=O)CCC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000427025413 489591506 /nfs/dbraw/zinc/59/15/06/489591506.db2.gz AIRWVVJMKMGPAI-UHFFFAOYSA-N 2 2 354.520 0.960 10 0 FCAELP C[C@@H]1C[C@H]1N1C[C@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1=O ZINC000372585927 489604296 /nfs/dbraw/zinc/60/42/96/489604296.db2.gz SBAMUENVNHWTFT-BFYDXBDKSA-N 2 2 365.522 0.663 10 0 FCAELP C[C@@H]1C[C@H]1N1C[C@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1=O ZINC000372585927 489604300 /nfs/dbraw/zinc/60/43/00/489604300.db2.gz SBAMUENVNHWTFT-BFYDXBDKSA-N 2 2 365.522 0.663 10 0 FCAELP C[C@@H]1CN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C[C@H](C)[N@H+]1CCO ZINC000456206764 489609783 /nfs/dbraw/zinc/60/97/83/489609783.db2.gz FJVROUMRJZXLRW-IYBDPMFKSA-N 2 2 361.490 0.361 10 0 FCAELP C[C@@H]1CN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C[C@H](C)[N@@H+]1CCO ZINC000456206764 489609788 /nfs/dbraw/zinc/60/97/88/489609788.db2.gz FJVROUMRJZXLRW-IYBDPMFKSA-N 2 2 361.490 0.361 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000458101470 489670025 /nfs/dbraw/zinc/67/00/25/489670025.db2.gz IAJHELWSGOEXII-UHFFFAOYSA-N 3 2 371.489 0.869 10 0 FCAELP CCCC[C@H](C[NH3+])NC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000417995552 489674747 /nfs/dbraw/zinc/67/47/47/489674747.db2.gz QEEHKOOYPGJVQL-ZIAGYGMSSA-N 2 2 350.467 0.728 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCO[C@]4(CCOC4)C3)CC2)CC1 ZINC000469401216 489706450 /nfs/dbraw/zinc/70/64/50/489706450.db2.gz DSEIULYJSVDOSX-LJQANCHMSA-N 2 2 366.506 0.746 10 0 FCAELP CC(C)(C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)c1c[nH]c[nH+]1 ZINC000469515580 489710783 /nfs/dbraw/zinc/71/07/83/489710783.db2.gz PQZDCJTXYCFKTP-UHFFFAOYSA-N 2 2 357.462 0.806 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000459182551 489721607 /nfs/dbraw/zinc/72/16/07/489721607.db2.gz QJDHHXBCBZBROO-LJQANCHMSA-N 2 2 357.458 0.899 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000459182551 489721612 /nfs/dbraw/zinc/72/16/12/489721612.db2.gz QJDHHXBCBZBROO-LJQANCHMSA-N 2 2 357.458 0.899 10 0 FCAELP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000418799358 489730574 /nfs/dbraw/zinc/73/05/74/489730574.db2.gz HSFLHYQYVMXJJB-QWHCGFSZSA-N 2 2 368.428 0.851 10 0 FCAELP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000418799358 489730578 /nfs/dbraw/zinc/73/05/78/489730578.db2.gz HSFLHYQYVMXJJB-QWHCGFSZSA-N 2 2 368.428 0.851 10 0 FCAELP C[C@@H]1CN(c2nc3ccccc3nc2N2CC[NH+](C)CC2)CC[N@@H+]1CCO ZINC000490044825 489741840 /nfs/dbraw/zinc/74/18/40/489741840.db2.gz NJHASDUKPHXEGV-MRXNPFEDSA-N 2 2 370.501 0.884 10 0 FCAELP C[C@@H]1CN(c2nc3ccccc3nc2N2CC[NH+](C)CC2)CC[N@H+]1CCO ZINC000490044825 489741842 /nfs/dbraw/zinc/74/18/42/489741842.db2.gz NJHASDUKPHXEGV-MRXNPFEDSA-N 2 2 370.501 0.884 10 0 FCAELP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1)c1ccco1 ZINC000418833297 489745698 /nfs/dbraw/zinc/74/56/98/489745698.db2.gz NAYZLUSESAZZOT-JKSUJKDBSA-N 2 2 371.441 0.567 10 0 FCAELP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)c1ccco1 ZINC000418833290 489745959 /nfs/dbraw/zinc/74/59/59/489745959.db2.gz NAYZLUSESAZZOT-CVEARBPZSA-N 2 2 371.441 0.567 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@](O)(CO)C2)CC1 ZINC000459652763 489746793 /nfs/dbraw/zinc/74/67/93/489746793.db2.gz WYDBHKHXNZZVOS-YLJYHZDGSA-N 2 2 361.486 0.711 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@](O)(CO)C2)CC1 ZINC000459652763 489746797 /nfs/dbraw/zinc/74/67/97/489746797.db2.gz WYDBHKHXNZZVOS-YLJYHZDGSA-N 2 2 361.486 0.711 10 0 FCAELP C[C@H]([NH2+][C@@H](CO)c1ccnn1C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459779730 489751616 /nfs/dbraw/zinc/75/16/16/489751616.db2.gz YCTNPGMWGOFSKI-JQHSSLGASA-N 2 2 371.485 0.822 10 0 FCAELP C[C@H]([NH2+][C@@H](CO)c1ccnn1C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459779730 489751620 /nfs/dbraw/zinc/75/16/20/489751620.db2.gz YCTNPGMWGOFSKI-JQHSSLGASA-N 2 2 371.485 0.822 10 0 FCAELP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000418865956 489764788 /nfs/dbraw/zinc/76/47/88/489764788.db2.gz MADGSXJRRHMWPJ-UKRRQHHQSA-N 2 2 372.391 0.820 10 0 FCAELP CC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000418865956 489764792 /nfs/dbraw/zinc/76/47/92/489764792.db2.gz MADGSXJRRHMWPJ-UKRRQHHQSA-N 2 2 372.391 0.820 10 0 FCAELP CC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)CC[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000418866116 489765131 /nfs/dbraw/zinc/76/51/31/489765131.db2.gz MOVTWTANGHJJHG-ZFWWWQNUSA-N 2 2 372.391 0.773 10 0 FCAELP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000418866847 489765751 /nfs/dbraw/zinc/76/57/51/489765751.db2.gz NGXSPZUIBUSMPV-TZMCWYRMSA-N 2 2 358.364 0.430 10 0 FCAELP CC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000418866847 489765753 /nfs/dbraw/zinc/76/57/53/489765753.db2.gz NGXSPZUIBUSMPV-TZMCWYRMSA-N 2 2 358.364 0.430 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2C[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000418904059 489783125 /nfs/dbraw/zinc/78/31/25/489783125.db2.gz INCVRKGEAYMSAW-HUUCEWRRSA-N 2 2 368.840 0.676 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2C[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000418904059 489783131 /nfs/dbraw/zinc/78/31/31/489783131.db2.gz INCVRKGEAYMSAW-HUUCEWRRSA-N 2 2 368.840 0.676 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@@H]1c1ccc(Cl)cc1 ZINC000418906106 489784069 /nfs/dbraw/zinc/78/40/69/489784069.db2.gz KOBZIUYNXRMWNM-KKUMJFAQSA-N 2 2 350.850 0.761 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@@H]1c1ccc(Cl)cc1 ZINC000418906106 489784071 /nfs/dbraw/zinc/78/40/71/489784071.db2.gz KOBZIUYNXRMWNM-KKUMJFAQSA-N 2 2 350.850 0.761 10 0 FCAELP C[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418907060 489785152 /nfs/dbraw/zinc/78/51/52/489785152.db2.gz LQCOVRNVYVZNSG-ZIAGYGMSSA-N 2 2 356.829 0.676 10 0 FCAELP C[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418907060 489785154 /nfs/dbraw/zinc/78/51/54/489785154.db2.gz LQCOVRNVYVZNSG-ZIAGYGMSSA-N 2 2 356.829 0.676 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[NH2+]CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000418907223 489785797 /nfs/dbraw/zinc/78/57/97/489785797.db2.gz LULZPEPWWHFSJX-HZPDHXFCSA-N 2 2 366.412 0.648 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[NH2+]CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000418907223 489785803 /nfs/dbraw/zinc/78/58/03/489785803.db2.gz LULZPEPWWHFSJX-HZPDHXFCSA-N 2 2 366.412 0.648 10 0 FCAELP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418911590 489787643 /nfs/dbraw/zinc/78/76/43/489787643.db2.gz QLPSNRUNHTVDAX-CABCVRRESA-N 2 2 354.401 0.504 10 0 FCAELP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418911590 489787646 /nfs/dbraw/zinc/78/76/46/489787646.db2.gz QLPSNRUNHTVDAX-CABCVRRESA-N 2 2 354.401 0.504 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000418912897 489788089 /nfs/dbraw/zinc/78/80/89/489788089.db2.gz RXGZXCUGIWTZDA-UVBJJODRSA-N 2 2 366.412 0.647 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000418912897 489788092 /nfs/dbraw/zinc/78/80/92/489788092.db2.gz RXGZXCUGIWTZDA-UVBJJODRSA-N 2 2 366.412 0.647 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000418917795 489790783 /nfs/dbraw/zinc/79/07/83/489790783.db2.gz YTBYIELMJWKAEP-ARFHVFGLSA-N 2 2 366.412 0.680 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000418917795 489790788 /nfs/dbraw/zinc/79/07/88/489790788.db2.gz YTBYIELMJWKAEP-ARFHVFGLSA-N 2 2 366.412 0.680 10 0 FCAELP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418918627 489791160 /nfs/dbraw/zinc/79/11/60/489791160.db2.gz ZQPHDSZICXCWJW-WKPIXPDZSA-N 2 2 354.401 0.680 10 0 FCAELP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418918627 489791164 /nfs/dbraw/zinc/79/11/64/489791164.db2.gz ZQPHDSZICXCWJW-WKPIXPDZSA-N 2 2 354.401 0.680 10 0 FCAELP C[C@@H]1C[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000490987839 489791540 /nfs/dbraw/zinc/79/15/40/489791540.db2.gz NITDQDVEIJCFCL-KURKYZTESA-N 2 2 372.579 0.616 10 0 FCAELP C[C@@H]1C[N@@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000490987839 489791545 /nfs/dbraw/zinc/79/15/45/489791545.db2.gz NITDQDVEIJCFCL-KURKYZTESA-N 2 2 372.579 0.616 10 0 FCAELP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000459946181 489801032 /nfs/dbraw/zinc/80/10/32/489801032.db2.gz HLJFKNIKJCVDFJ-INIZCTEOSA-N 2 2 368.522 0.092 10 0 FCAELP O=C(CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)NCC[NH+]1CCCCCC1 ZINC000431370475 489802629 /nfs/dbraw/zinc/80/26/29/489802629.db2.gz QZTKOFMXHKPBLV-CQSZACIVSA-N 2 2 362.478 0.558 10 0 FCAELP O=C(CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)NCC[NH+]1CCCCCC1 ZINC000431370475 489802632 /nfs/dbraw/zinc/80/26/32/489802632.db2.gz QZTKOFMXHKPBLV-CQSZACIVSA-N 2 2 362.478 0.558 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCN(C(C)(C)C(=O)OC)CC2)CC1 ZINC000494428788 489891489 /nfs/dbraw/zinc/89/14/89/489891489.db2.gz IROXIRZWCJPUSB-HNNXBMFYSA-N 2 2 354.495 0.108 10 0 FCAELP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC2)s1 ZINC000420051530 489894883 /nfs/dbraw/zinc/89/48/83/489894883.db2.gz GWLGEMWQHPMVBD-UHFFFAOYSA-N 2 2 352.504 0.808 10 0 FCAELP [NH3+]C[C@@H](NC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)C1CCCC1 ZINC000420078338 489904220 /nfs/dbraw/zinc/90/42/20/489904220.db2.gz ZDTPCPVIYSPXHG-IAGOWNOFSA-N 2 2 366.506 0.333 10 0 FCAELP COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000377683348 489940889 /nfs/dbraw/zinc/94/08/89/489940889.db2.gz XYPYIBSXVKQWKT-WMZOPIPTSA-N 3 2 367.538 0.565 10 0 FCAELP COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000377683348 489940892 /nfs/dbraw/zinc/94/08/92/489940892.db2.gz XYPYIBSXVKQWKT-WMZOPIPTSA-N 3 2 367.538 0.565 10 0 FCAELP COCC[NH+]1CCC[C@H]1CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377683348 489940895 /nfs/dbraw/zinc/94/08/95/489940895.db2.gz XYPYIBSXVKQWKT-WMZOPIPTSA-N 3 2 367.538 0.565 10 0 FCAELP COCC[NH+]1CCC[C@H]1CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377683348 489940898 /nfs/dbraw/zinc/94/08/98/489940898.db2.gz XYPYIBSXVKQWKT-WMZOPIPTSA-N 3 2 367.538 0.565 10 0 FCAELP CC[NH+]1CCN(CC(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000461970131 489947769 /nfs/dbraw/zinc/94/77/69/489947769.db2.gz JZCSOVVYOXXSRV-KZNAEPCWSA-N 2 2 352.523 0.724 10 0 FCAELP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000571186563 491291498 /nfs/dbraw/zinc/29/14/98/491291498.db2.gz PGPQNWVDAOSIHP-AEFFLSMTSA-N 2 2 373.501 0.039 10 0 FCAELP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420372973 489968731 /nfs/dbraw/zinc/96/87/31/489968731.db2.gz MQFXLASUWAFIHN-SUMWQHHRSA-N 2 2 366.487 0.737 10 0 FCAELP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420372973 489968733 /nfs/dbraw/zinc/96/87/33/489968733.db2.gz MQFXLASUWAFIHN-SUMWQHHRSA-N 2 2 366.487 0.737 10 0 FCAELP O=C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NCCOc1ccc2c(c1)OCO2 ZINC000420366199 489969000 /nfs/dbraw/zinc/96/90/00/489969000.db2.gz JJLXBDYZBVTUMF-IBGZPJMESA-N 2 2 361.442 0.986 10 0 FCAELP O=C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NCCOc1ccc2c(c1)OCO2 ZINC000420366199 489969002 /nfs/dbraw/zinc/96/90/02/489969002.db2.gz JJLXBDYZBVTUMF-IBGZPJMESA-N 2 2 361.442 0.986 10 0 FCAELP NC(=O)CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420383898 489969887 /nfs/dbraw/zinc/96/98/87/489969887.db2.gz SXGRBXAENQVBSR-HXUWFJFHSA-N 2 2 358.486 0.966 10 0 FCAELP NC(=O)CCN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420383898 489969889 /nfs/dbraw/zinc/96/98/89/489969889.db2.gz SXGRBXAENQVBSR-HXUWFJFHSA-N 2 2 358.486 0.966 10 0 FCAELP CCC[NH+]1CCC(CNC(=O)C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000477748427 489989150 /nfs/dbraw/zinc/98/91/50/489989150.db2.gz PZIIJCGYAUFBRN-HNNXBMFYSA-N 2 2 354.495 0.062 10 0 FCAELP CCC[NH+]1CCC(CNC(=O)C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000477748427 489989153 /nfs/dbraw/zinc/98/91/53/489989153.db2.gz PZIIJCGYAUFBRN-HNNXBMFYSA-N 2 2 354.495 0.062 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000556084965 491293270 /nfs/dbraw/zinc/29/32/70/491293270.db2.gz JMAZZYQXTBBUEP-INIZCTEOSA-N 2 2 359.474 0.851 10 0 FCAELP CS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420916471 490031664 /nfs/dbraw/zinc/03/16/64/490031664.db2.gz OPKWEDYOMWZUGC-KRWDZBQOSA-N 2 2 353.488 0.642 10 0 FCAELP CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420916471 490031667 /nfs/dbraw/zinc/03/16/67/490031667.db2.gz OPKWEDYOMWZUGC-KRWDZBQOSA-N 2 2 353.488 0.642 10 0 FCAELP CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000438341912 490035142 /nfs/dbraw/zinc/03/51/42/490035142.db2.gz VUHCBUKBXNWTSG-HNNXBMFYSA-N 2 2 350.467 0.679 10 0 FCAELP CC[N@H+]1CC[C@@H](CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000438341912 490035143 /nfs/dbraw/zinc/03/51/43/490035143.db2.gz VUHCBUKBXNWTSG-HNNXBMFYSA-N 2 2 350.467 0.679 10 0 FCAELP CC[NH+]1CCC(N2CCC[N@H+](CCn3nc4ccccn4c3=O)CC2)CC1 ZINC000420980490 490038269 /nfs/dbraw/zinc/03/82/69/490038269.db2.gz LTJHNCFJLDCERA-UHFFFAOYSA-N 2 2 372.517 0.988 10 0 FCAELP CC[NH+]1CCC(N2CCC[N@@H+](CCn3nc4ccccn4c3=O)CC2)CC1 ZINC000420980490 490038272 /nfs/dbraw/zinc/03/82/72/490038272.db2.gz LTJHNCFJLDCERA-UHFFFAOYSA-N 2 2 372.517 0.988 10 0 FCAELP CC[NH+]1CCC([N@@H+]2CCCN(CCn3nc4ccccn4c3=O)CC2)CC1 ZINC000420980490 490038277 /nfs/dbraw/zinc/03/82/77/490038277.db2.gz LTJHNCFJLDCERA-UHFFFAOYSA-N 2 2 372.517 0.988 10 0 FCAELP CC[NH+]1CCC([N@H+]2CCCN(CCn3nc4ccccn4c3=O)CC2)CC1 ZINC000420980490 490038279 /nfs/dbraw/zinc/03/82/79/490038279.db2.gz LTJHNCFJLDCERA-UHFFFAOYSA-N 2 2 372.517 0.988 10 0 FCAELP C[NH+](C)CCN1C(=O)C[C@H]([NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)C1=O ZINC000545225798 490100862 /nfs/dbraw/zinc/10/08/62/490100862.db2.gz MVBYKNIOKSSEOM-WFASDCNBSA-N 2 2 365.396 0.701 10 0 FCAELP CC1(C)CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000382761661 490129337 /nfs/dbraw/zinc/12/93/37/490129337.db2.gz ZKMVLHHFJQGSAW-KRWDZBQOSA-N 2 2 367.515 0.901 10 0 FCAELP CC1(C)CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000382761661 490129343 /nfs/dbraw/zinc/12/93/43/490129343.db2.gz ZKMVLHHFJQGSAW-KRWDZBQOSA-N 2 2 367.515 0.901 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000564346205 491302301 /nfs/dbraw/zinc/30/23/01/491302301.db2.gz FEIHHKKTWTVXJK-AZUAARDMSA-N 3 2 366.550 0.877 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000564346205 491302305 /nfs/dbraw/zinc/30/23/05/491302305.db2.gz FEIHHKKTWTVXJK-AZUAARDMSA-N 3 2 366.550 0.877 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000564346205 491302308 /nfs/dbraw/zinc/30/23/08/491302308.db2.gz FEIHHKKTWTVXJK-AZUAARDMSA-N 3 2 366.550 0.877 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000564346205 491302310 /nfs/dbraw/zinc/30/23/10/491302310.db2.gz FEIHHKKTWTVXJK-AZUAARDMSA-N 3 2 366.550 0.877 10 0 FCAELP CC(C)Cn1cc[nH+]c1CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000465954130 490158301 /nfs/dbraw/zinc/15/83/01/490158301.db2.gz UDRZGUMEAHPISC-HNNXBMFYSA-N 2 2 364.494 0.926 10 0 FCAELP CC(C)Cn1cc[nH+]c1CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000465954130 490158305 /nfs/dbraw/zinc/15/83/05/490158305.db2.gz UDRZGUMEAHPISC-HNNXBMFYSA-N 2 2 364.494 0.926 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)C1=O ZINC000556255184 491306134 /nfs/dbraw/zinc/30/61/34/491306134.db2.gz YRGSILYIJKBTGC-ZNMIVQPWSA-N 2 2 368.503 0.857 10 0 FCAELP CN(C)c1nc(N2CC[NH+](Cc3cc(=O)n4ccccc4n3)CC2)cc[nH+]1 ZINC000533531461 490250021 /nfs/dbraw/zinc/25/00/21/490250021.db2.gz DLYMIQCZHFTMGO-UHFFFAOYSA-N 2 2 365.441 0.873 10 0 FCAELP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000498287431 490280921 /nfs/dbraw/zinc/28/09/21/490280921.db2.gz KXZJPXBFJRIADA-INIZCTEOSA-N 2 2 355.479 0.585 10 0 FCAELP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000498287431 490280929 /nfs/dbraw/zinc/28/09/29/490280929.db2.gz KXZJPXBFJRIADA-INIZCTEOSA-N 2 2 355.479 0.585 10 0 FCAELP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCc2cn(C)c[nH+]2)C[N@@H+]1Cc1ccccc1 ZINC000422377056 490288054 /nfs/dbraw/zinc/28/80/54/490288054.db2.gz JLBGYFPYJFLWBY-CRAIPNDOSA-N 2 2 369.469 0.858 10 0 FCAELP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCc2cn(C)c[nH+]2)C[N@H+]1Cc1ccccc1 ZINC000422377056 490288061 /nfs/dbraw/zinc/28/80/61/490288061.db2.gz JLBGYFPYJFLWBY-CRAIPNDOSA-N 2 2 369.469 0.858 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)N2CC[NH+]3CCC2CC3)C1=O ZINC000556440829 491315276 /nfs/dbraw/zinc/31/52/76/491315276.db2.gz FSRSZFCYDWKECK-OAHLLOKOSA-N 2 2 360.462 0.401 10 0 FCAELP C[C@H]1OCC[C@H]1[N@H+](CCO)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000483291021 490302589 /nfs/dbraw/zinc/30/25/89/490302589.db2.gz JDVSGBMLBBRPHH-NVXWUHKLSA-N 2 2 367.515 0.864 10 0 FCAELP C[C@H]1OCC[C@H]1[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000483291021 490302594 /nfs/dbraw/zinc/30/25/94/490302594.db2.gz JDVSGBMLBBRPHH-NVXWUHKLSA-N 2 2 367.515 0.864 10 0 FCAELP Cc1nnc(CN(C)CC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1C ZINC000467543091 490308591 /nfs/dbraw/zinc/30/85/91/490308591.db2.gz MRZALQMBBBYZSI-UHFFFAOYSA-N 2 2 365.526 0.040 10 0 FCAELP Cc1nnc(CN(C)CC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1C ZINC000467543091 490308597 /nfs/dbraw/zinc/30/85/97/490308597.db2.gz MRZALQMBBBYZSI-UHFFFAOYSA-N 2 2 365.526 0.040 10 0 FCAELP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000411043016 490382969 /nfs/dbraw/zinc/38/29/69/490382969.db2.gz OJHOOUNHMLCECH-UHFFFAOYSA-N 2 2 364.515 0.945 10 0 FCAELP COC(=O)CCn1nc(C)c(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c1C ZINC000449396787 490411960 /nfs/dbraw/zinc/41/19/60/490411960.db2.gz SNVQXIHRDWGSHS-INIZCTEOSA-N 2 2 352.479 0.999 10 0 FCAELP COC(=O)CCn1nc(C)c(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c1C ZINC000449396787 490411970 /nfs/dbraw/zinc/41/19/70/490411970.db2.gz SNVQXIHRDWGSHS-INIZCTEOSA-N 2 2 352.479 0.999 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCN(c3cc[nH+]cc3OC)CC2)CC1 ZINC000564823999 491328963 /nfs/dbraw/zinc/32/89/63/491328963.db2.gz QLMOALIRQGHSRI-MRXNPFEDSA-N 3 2 361.490 0.765 10 0 FCAELP CN(C)S(=O)(=O)c1ccccc1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422817247 490480304 /nfs/dbraw/zinc/48/03/04/490480304.db2.gz HCBSCVIGOHNEAB-WBVHZDCISA-N 2 2 353.488 0.794 10 0 FCAELP O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422831753 490482515 /nfs/dbraw/zinc/48/25/15/490482515.db2.gz UDCYOIXXCMQOIQ-HZPDHXFCSA-N 2 2 364.490 0.988 10 0 FCAELP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)C1CC1 ZINC000564867909 491332335 /nfs/dbraw/zinc/33/23/35/491332335.db2.gz AZUMQXKFUCJJDL-HOCLYGCPSA-N 2 2 353.488 0.494 10 0 FCAELP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)C1CC1 ZINC000564867909 491332336 /nfs/dbraw/zinc/33/23/36/491332336.db2.gz AZUMQXKFUCJJDL-HOCLYGCPSA-N 2 2 353.488 0.494 10 0 FCAELP Cn1c(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)nc2cccc(Cl)c21 ZINC000564873494 491332437 /nfs/dbraw/zinc/33/24/37/491332437.db2.gz PALPHWRNKCKXRK-ZDUSSCGKSA-N 2 2 351.882 0.925 10 0 FCAELP O=C(NC1CC([NH+]2CCCCC2)C1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000511963652 490645297 /nfs/dbraw/zinc/64/52/97/490645297.db2.gz FHRBRSFRKZHYQJ-GTPINHCMSA-N 2 2 371.485 0.910 10 0 FCAELP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000511968992 490645969 /nfs/dbraw/zinc/64/59/69/490645969.db2.gz XLHREJTWSMMJHA-FHERZECASA-N 2 2 359.474 0.869 10 0 FCAELP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1 ZINC000525988359 490662715 /nfs/dbraw/zinc/66/27/15/490662715.db2.gz JQWRLIJXTBMBIR-ZDUSSCGKSA-N 2 2 361.490 0.965 10 0 FCAELP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000525988359 490662718 /nfs/dbraw/zinc/66/27/18/490662718.db2.gz JQWRLIJXTBMBIR-ZDUSSCGKSA-N 2 2 361.490 0.965 10 0 FCAELP CC[NH+](CC)CCS(=O)(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000550430713 490667938 /nfs/dbraw/zinc/66/79/38/490667938.db2.gz UHFUYTWRPVCTBK-UHFFFAOYSA-N 2 2 356.492 0.679 10 0 FCAELP O=C(N1CCC(C[NH+]2CCOCC2)CC1)C1([NH+]2CCOCC2)CCC1 ZINC000537727215 490691609 /nfs/dbraw/zinc/69/16/09/490691609.db2.gz RTLDIBLSJMDJGJ-UHFFFAOYSA-N 2 2 351.491 0.812 10 0 FCAELP C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000538347890 490727973 /nfs/dbraw/zinc/72/79/73/490727973.db2.gz DIEATSANVVVDGJ-QRQLOZEOSA-N 2 2 364.534 0.915 10 0 FCAELP C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000538347890 490727976 /nfs/dbraw/zinc/72/79/76/490727976.db2.gz DIEATSANVVVDGJ-QRQLOZEOSA-N 2 2 364.534 0.915 10 0 FCAELP O=C(c1ccc(C[NH+]2CCOCC2)cn1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000538386828 490730798 /nfs/dbraw/zinc/73/07/98/490730798.db2.gz AGSFAMSPTTXANM-GOSISDBHSA-N 2 2 374.485 0.708 10 0 FCAELP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CCNC(=O)CC1 ZINC000488281899 490754041 /nfs/dbraw/zinc/75/40/41/490754041.db2.gz PZBCUNLHCAWNMF-MRXNPFEDSA-N 2 2 374.485 0.345 10 0 FCAELP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CCNC(=O)CC1 ZINC000488281899 490754043 /nfs/dbraw/zinc/75/40/43/490754043.db2.gz PZBCUNLHCAWNMF-MRXNPFEDSA-N 2 2 374.485 0.345 10 0 FCAELP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000539180195 490766704 /nfs/dbraw/zinc/76/67/04/490766704.db2.gz XFCMRXPYDUPTHT-HNNXBMFYSA-N 2 2 359.430 0.808 10 0 FCAELP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000539180195 490766706 /nfs/dbraw/zinc/76/67/06/490766706.db2.gz XFCMRXPYDUPTHT-HNNXBMFYSA-N 2 2 359.430 0.808 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2COCC[NH2+]2)[C@H]1c1ccc(F)c(F)c1 ZINC000529322751 490852191 /nfs/dbraw/zinc/85/21/91/490852191.db2.gz RAPSNHKKWVJTDB-UHOFOFEASA-N 2 2 354.401 0.998 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)NC[C@@H]2COCC[NH2+]2)[C@H]1c1ccc(F)c(F)c1 ZINC000529322751 490852193 /nfs/dbraw/zinc/85/21/93/490852193.db2.gz RAPSNHKKWVJTDB-UHOFOFEASA-N 2 2 354.401 0.998 10 0 FCAELP CN1CC[NH+](CC2CCN(C(=O)C3([NH+]4CCOCC4)CCC3)CC2)CC1 ZINC000541152301 490853026 /nfs/dbraw/zinc/85/30/26/490853026.db2.gz SWWGOAAMYMTTAZ-UHFFFAOYSA-N 2 2 364.534 0.727 10 0 FCAELP COc1c(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cccc1C(N)=O ZINC000542026726 490882775 /nfs/dbraw/zinc/88/27/75/490882775.db2.gz UAXBAXXLWUPBQY-UHFFFAOYSA-N 2 2 363.462 0.942 10 0 FCAELP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1)CC2 ZINC000516974290 490888813 /nfs/dbraw/zinc/88/88/13/490888813.db2.gz YBHDDSYOKKMVBV-BBWFWOEESA-N 2 2 366.506 0.297 10 0 FCAELP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1)CC2 ZINC000516974290 490888815 /nfs/dbraw/zinc/88/88/15/490888815.db2.gz YBHDDSYOKKMVBV-BBWFWOEESA-N 2 2 366.506 0.297 10 0 FCAELP Cc1nn(C)c2ncc(C[NH+]3CCN(C(=O)N4CC[NH2+]CC4)CC3)cc12 ZINC000530242193 490895149 /nfs/dbraw/zinc/89/51/49/490895149.db2.gz LRXSGMVSBPIWGS-UHFFFAOYSA-N 2 2 357.462 0.420 10 0 FCAELP COCCOc1ccccc1C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530241682 490895159 /nfs/dbraw/zinc/89/51/59/490895159.db2.gz HFQYHZXWARAFMP-UHFFFAOYSA-N 2 2 362.474 0.855 10 0 FCAELP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000517214554 490899491 /nfs/dbraw/zinc/89/94/91/490899491.db2.gz QIOKYYQVHGXJOS-CYBMUJFWSA-N 2 2 359.430 0.576 10 0 FCAELP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000517214554 490899492 /nfs/dbraw/zinc/89/94/92/490899492.db2.gz QIOKYYQVHGXJOS-CYBMUJFWSA-N 2 2 359.430 0.576 10 0 FCAELP CC[N@@H+]1CCCN(C(=O)N[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CC1 ZINC000543053265 490920351 /nfs/dbraw/zinc/92/03/51/490920351.db2.gz DVXWLXNJNQEKDF-HNNXBMFYSA-N 2 2 362.478 0.648 10 0 FCAELP CC[N@H+]1CCCN(C(=O)N[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CC1 ZINC000543053265 490920353 /nfs/dbraw/zinc/92/03/53/490920353.db2.gz DVXWLXNJNQEKDF-HNNXBMFYSA-N 2 2 362.478 0.648 10 0 FCAELP COc1cc[nH+]c(N2CC[NH+](C[C@H](O)COC[C@@H]3CCCO3)CC2)c1 ZINC000517909047 490924590 /nfs/dbraw/zinc/92/45/90/490924590.db2.gz YBNCIIMTDHEIHU-RDJZCZTQSA-N 2 2 351.447 0.769 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)C1=O ZINC000518522202 490944096 /nfs/dbraw/zinc/94/40/96/490944096.db2.gz RSKBCWVINLAOFH-HRCADAONSA-N 2 2 374.489 0.647 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C1=O ZINC000518522202 490944097 /nfs/dbraw/zinc/94/40/97/490944097.db2.gz RSKBCWVINLAOFH-HRCADAONSA-N 2 2 374.489 0.647 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)NC[C@@H]2CCC[N@H+](C)C2)C1=O ZINC000543977907 490953923 /nfs/dbraw/zinc/95/39/23/490953923.db2.gz RMYYVAHKDCLHTQ-LSDHHAIUSA-N 2 2 362.478 0.552 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC000543977907 490953924 /nfs/dbraw/zinc/95/39/24/490953924.db2.gz RMYYVAHKDCLHTQ-LSDHHAIUSA-N 2 2 362.478 0.552 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+][C@@H](Cc2ccc(F)cc2)C(N)=O)C1=O ZINC000544071763 490956539 /nfs/dbraw/zinc/95/65/39/490956539.db2.gz WXSPFWSBYISRQD-CVEARBPZSA-N 2 2 373.432 0.736 10 0 FCAELP C[C@H](C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2)N1CC[NH+](C)CC1 ZINC000519744846 490987647 /nfs/dbraw/zinc/98/76/47/490987647.db2.gz YYCDSQQDWLIYLY-CQSZACIVSA-N 2 2 359.474 0.104 10 0 FCAELP C[C@H](C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2)N1CC[NH+](C)CC1 ZINC000519744846 490987648 /nfs/dbraw/zinc/98/76/48/490987648.db2.gz YYCDSQQDWLIYLY-CQSZACIVSA-N 2 2 359.474 0.104 10 0 FCAELP CN(C(=O)CS(=O)(=O)NC(C)(C)C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601476428 491926038 /nfs/dbraw/zinc/92/60/38/491926038.db2.gz DTCQSKVNAKRCLJ-OAHLLOKOSA-N 2 2 374.551 0.331 10 0 FCAELP CN(C(=O)CS(=O)(=O)NC(C)(C)C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601476428 491926039 /nfs/dbraw/zinc/92/60/39/491926039.db2.gz DTCQSKVNAKRCLJ-OAHLLOKOSA-N 2 2 374.551 0.331 10 0 FCAELP Cn1ccnc1[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000569686492 491181538 /nfs/dbraw/zinc/18/15/38/491181538.db2.gz MDXXELJDLHRBQL-ZWKOTPCHSA-N 2 2 361.465 0.847 10 0 FCAELP C[C@@H]1C[NH+](CCNc2cncc(NCC[N@@H+]3CCO[C@H](C)C3)n2)CCO1 ZINC000557569119 491383683 /nfs/dbraw/zinc/38/36/83/491383683.db2.gz DBVUDBWAEWQFJF-HZPDHXFCSA-N 2 2 364.494 0.742 10 0 FCAELP C[C@@H]1C[NH+](CCNc2cncc(NCC[N@H+]3CCO[C@H](C)C3)n2)CCO1 ZINC000557569119 491383684 /nfs/dbraw/zinc/38/36/84/491383684.db2.gz DBVUDBWAEWQFJF-HZPDHXFCSA-N 2 2 364.494 0.742 10 0 FCAELP CC[NH+](CC)CCS(=O)(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000565566743 491385451 /nfs/dbraw/zinc/38/54/51/491385451.db2.gz PADHLBDICZQHRL-IRXDYDNUSA-N 2 2 360.568 0.616 10 0 FCAELP CC[NH+](CC)CCS(=O)(=O)N1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000565566743 491385454 /nfs/dbraw/zinc/38/54/54/491385454.db2.gz PADHLBDICZQHRL-IRXDYDNUSA-N 2 2 360.568 0.616 10 0 FCAELP O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000565592534 491387503 /nfs/dbraw/zinc/38/75/03/491387503.db2.gz IFAWYZGRRMPSMV-JQHSSLGASA-N 2 2 365.499 0.806 10 0 FCAELP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)CC1 ZINC000566137298 491419962 /nfs/dbraw/zinc/41/99/62/491419962.db2.gz IZLGUVQXNBJPHR-QGZVFWFLSA-N 2 2 362.474 0.416 10 0 FCAELP CC1(C)C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@]2(CCOC2)O1 ZINC000558824198 491446440 /nfs/dbraw/zinc/44/64/40/491446440.db2.gz YYASNYRWOSPKGY-IBGZPJMESA-N 2 2 351.491 0.999 10 0 FCAELP CC1(C)C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@]2(CCOC2)O1 ZINC000558824198 491446441 /nfs/dbraw/zinc/44/64/41/491446441.db2.gz YYASNYRWOSPKGY-IBGZPJMESA-N 2 2 351.491 0.999 10 0 FCAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H]3CCC(=O)N(C)C3)CC2)CC1 ZINC000573831269 491457940 /nfs/dbraw/zinc/45/79/40/491457940.db2.gz ZLTAGZPRAYGVLO-MRXNPFEDSA-N 2 2 365.522 0.809 10 0 FCAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H]3CCC(=O)N(C)C3)CC2)CC1 ZINC000573831269 491457941 /nfs/dbraw/zinc/45/79/41/491457941.db2.gz ZLTAGZPRAYGVLO-MRXNPFEDSA-N 2 2 365.522 0.809 10 0 FCAELP O=C(NCc1cn2ccccc2[nH+]1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668381335 493344489 /nfs/dbraw/zinc/34/44/89/493344489.db2.gz YKZCJUISQYDYKF-INIZCTEOSA-N 2 2 371.441 0.008 10 0 FCAELP O=C(NCc1cn2ccccc2[nH+]1)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668381335 493344495 /nfs/dbraw/zinc/34/44/95/493344495.db2.gz YKZCJUISQYDYKF-INIZCTEOSA-N 2 2 371.441 0.008 10 0 FCAELP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000567337667 491500336 /nfs/dbraw/zinc/50/03/36/491500336.db2.gz HIDTYWXCJZJBBY-BZUAXINKSA-N 2 2 352.479 0.004 10 0 FCAELP Cc1ccc([C@@H](CNC(=O)Cn2cc[nH+]c2)NC(=O)Cn2cc[nH+]c2)o1 ZINC000559802616 491500848 /nfs/dbraw/zinc/50/08/48/491500848.db2.gz PCLJDMLBRYARRS-CQSZACIVSA-N 2 2 356.386 0.655 10 0 FCAELP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000559899519 491508421 /nfs/dbraw/zinc/50/84/21/491508421.db2.gz CLRZSKDBDNBCTL-KRWDZBQOSA-N 2 2 373.501 0.965 10 0 FCAELP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000559899519 491508422 /nfs/dbraw/zinc/50/84/22/491508422.db2.gz CLRZSKDBDNBCTL-KRWDZBQOSA-N 2 2 373.501 0.965 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000559968466 491513149 /nfs/dbraw/zinc/51/31/49/491513149.db2.gz GZDWXYZZRHJPDM-OAHLLOKOSA-N 2 2 356.430 0.440 10 0 FCAELP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000567572197 491514694 /nfs/dbraw/zinc/51/46/94/491514694.db2.gz HPIMGSHMRBFXQV-KKUMJFAQSA-N 2 2 362.478 0.822 10 0 FCAELP NC(=O)CCN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574812392 491521951 /nfs/dbraw/zinc/52/19/51/491521951.db2.gz CNMXMYZLXURGLM-HXUWFJFHSA-N 2 2 358.486 0.966 10 0 FCAELP NC(=O)CCN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574812392 491521952 /nfs/dbraw/zinc/52/19/52/491521952.db2.gz CNMXMYZLXURGLM-HXUWFJFHSA-N 2 2 358.486 0.966 10 0 FCAELP NS(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000575029513 491534822 /nfs/dbraw/zinc/53/48/22/491534822.db2.gz IJCQSCXJEBYWDE-XJKSGUPXSA-N 2 2 366.487 0.737 10 0 FCAELP NS(=O)(=O)c1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000575029513 491534823 /nfs/dbraw/zinc/53/48/23/491534823.db2.gz IJCQSCXJEBYWDE-XJKSGUPXSA-N 2 2 366.487 0.737 10 0 FCAELP Cc1nn(C)c(C)c1[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C(F)(F)F ZINC000575233591 491547074 /nfs/dbraw/zinc/54/70/74/491547074.db2.gz OWSSNOUAWCKHKG-YPMHNXCESA-N 2 2 362.400 0.925 10 0 FCAELP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000561120472 491575539 /nfs/dbraw/zinc/57/55/39/491575539.db2.gz GQIWOUZTQQUMMD-INIZCTEOSA-N 2 2 363.462 0.274 10 0 FCAELP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000561120472 491575541 /nfs/dbraw/zinc/57/55/41/491575541.db2.gz GQIWOUZTQQUMMD-INIZCTEOSA-N 2 2 363.462 0.274 10 0 FCAELP CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)[C@@H]1CC[N@H+](CC)C1 ZINC000668427335 493352740 /nfs/dbraw/zinc/35/27/40/493352740.db2.gz HULZKIQESVPOTL-IAGOWNOFSA-N 2 2 368.522 0.402 10 0 FCAELP CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000668427335 493352742 /nfs/dbraw/zinc/35/27/42/493352742.db2.gz HULZKIQESVPOTL-IAGOWNOFSA-N 2 2 368.522 0.402 10 0 FCAELP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000576159912 491587351 /nfs/dbraw/zinc/58/73/51/491587351.db2.gz LDYWPIRRMACFKO-KRWDZBQOSA-N 2 2 355.442 0.816 10 0 FCAELP CN(C(=O)C(=O)NCc1[nH+]ccn1CC(F)(F)F)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000561251096 491589625 /nfs/dbraw/zinc/58/96/25/491589625.db2.gz JCPNWDGYCILFHF-GFCCVEGCSA-N 2 2 373.379 0.757 10 0 FCAELP CN(C(=O)C(=O)NCc1[nH+]ccn1CC(F)(F)F)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000561251096 491589630 /nfs/dbraw/zinc/58/96/30/491589630.db2.gz JCPNWDGYCILFHF-GFCCVEGCSA-N 2 2 373.379 0.757 10 0 FCAELP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)Cn2cc[nH+]c2)cc1 ZINC000673658182 493354580 /nfs/dbraw/zinc/35/45/80/493354580.db2.gz FWXUMBGWAIEZQX-UHFFFAOYSA-N 2 2 370.457 0.732 10 0 FCAELP O=C(C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)N1CCOC[C@H]1C1CC1 ZINC000660480806 493355391 /nfs/dbraw/zinc/35/53/91/493355391.db2.gz WYONRXPUUVREII-ROUUACIJSA-N 2 2 351.491 0.811 10 0 FCAELP O=C(C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)N1CCOC[C@H]1C1CC1 ZINC000660480806 493355396 /nfs/dbraw/zinc/35/53/96/493355396.db2.gz WYONRXPUUVREII-ROUUACIJSA-N 2 2 351.491 0.811 10 0 FCAELP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000576539666 491623993 /nfs/dbraw/zinc/62/39/93/491623993.db2.gz YLHRMOCAPYSARH-JKSUJKDBSA-N 2 2 354.495 0.156 10 0 FCAELP C[C@@H]1CN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)[C@@H](C)C[N@@H+]1CCO ZINC000576728779 491639938 /nfs/dbraw/zinc/63/99/38/491639938.db2.gz ZFDMBAYHXHEUDO-OLZOCXBDSA-N 2 2 360.462 0.561 10 0 FCAELP C[C@@H]1CN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)[C@@H](C)C[N@H+]1CCO ZINC000576728779 491639940 /nfs/dbraw/zinc/63/99/40/491639940.db2.gz ZFDMBAYHXHEUDO-OLZOCXBDSA-N 2 2 360.462 0.561 10 0 FCAELP C[NH+]1CCC(CNC(=O)c2cn(CCC[NH3+])nn2)([NH+]2CCCCC2)CC1 ZINC000569237857 491644390 /nfs/dbraw/zinc/64/43/90/491644390.db2.gz GUYPJJZBHQPWEH-UHFFFAOYSA-N 3 2 363.510 0.307 10 0 FCAELP [NH3+]Cc1nc(Cn2cnc3c(c2=O)CC[N@H+](Cc2ccccc2)C3)no1 ZINC000576871235 491652476 /nfs/dbraw/zinc/65/24/76/491652476.db2.gz FDFARXCZRLUNFO-UHFFFAOYSA-N 2 2 352.398 0.692 10 0 FCAELP [NH3+]Cc1nc(Cn2cnc3c(c2=O)CC[N@@H+](Cc2ccccc2)C3)no1 ZINC000576871235 491652479 /nfs/dbraw/zinc/65/24/79/491652479.db2.gz FDFARXCZRLUNFO-UHFFFAOYSA-N 2 2 352.398 0.692 10 0 FCAELP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000579060977 491690219 /nfs/dbraw/zinc/69/02/19/491690219.db2.gz NLABXIQJBLLLLE-UHFFFAOYSA-N 3 2 363.506 0.479 10 0 FCAELP CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)NCC[NH+]1CCOCC1 ZINC000580092757 491717175 /nfs/dbraw/zinc/71/71/75/491717175.db2.gz PTMUSCFEEHJKJI-XYJFISCASA-N 2 2 368.522 0.308 10 0 FCAELP CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C(=O)NCC[NH+]1CCOCC1 ZINC000580092757 491717176 /nfs/dbraw/zinc/71/71/76/491717176.db2.gz PTMUSCFEEHJKJI-XYJFISCASA-N 2 2 368.522 0.308 10 0 FCAELP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000580104227 491717776 /nfs/dbraw/zinc/71/77/76/491717776.db2.gz IHGSHMYLQWLHFP-NVXWUHKLSA-N 2 2 373.501 0.965 10 0 FCAELP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000580104227 491717777 /nfs/dbraw/zinc/71/77/77/491717777.db2.gz IHGSHMYLQWLHFP-NVXWUHKLSA-N 2 2 373.501 0.965 10 0 FCAELP C[C@H]1OCC[C@]12C[N@H+](CC(=O)NC1CC[NH+](C3CC3)CC1)C[C@@H](C)O2 ZINC000580514900 491733905 /nfs/dbraw/zinc/73/39/05/491733905.db2.gz UVPXSOHICJRTFM-CLCXKQKWSA-N 2 2 351.491 0.998 10 0 FCAELP C[C@H]1OCC[C@]12C[N@@H+](CC(=O)NC1CC[NH+](C3CC3)CC1)C[C@@H](C)O2 ZINC000580514900 491733907 /nfs/dbraw/zinc/73/39/07/491733907.db2.gz UVPXSOHICJRTFM-CLCXKQKWSA-N 2 2 351.491 0.998 10 0 FCAELP CO[C@@H](CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CCOC1 ZINC000660575953 493362842 /nfs/dbraw/zinc/36/28/42/493362842.db2.gz YRUBJYJJDIJVPU-QAPCUYQASA-N 2 2 368.522 0.896 10 0 FCAELP O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000580827898 491747473 /nfs/dbraw/zinc/74/74/73/491747473.db2.gz CXDSNLKBITZEOX-MRXNPFEDSA-N 2 2 355.446 0.556 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH2+]CCO2)[C@@H]1c1ccc(F)c(F)c1 ZINC000583554299 491847382 /nfs/dbraw/zinc/84/73/82/491847382.db2.gz JOMGKIGRUCQBBK-RCBQFDQVSA-N 2 2 354.401 0.998 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH2+]CCO2)[C@@H]1c1ccc(F)c(F)c1 ZINC000583554299 491847383 /nfs/dbraw/zinc/84/73/83/491847383.db2.gz JOMGKIGRUCQBBK-RCBQFDQVSA-N 2 2 354.401 0.998 10 0 FCAELP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCc2ccc[nH+]c2N2CCCC2)C1 ZINC000612038678 491893574 /nfs/dbraw/zinc/89/35/74/491893574.db2.gz YNYDKKCGFCXNFS-FZNQNYSPSA-N 2 2 359.474 0.754 10 0 FCAELP COC(=O)CCN1CCC[C@@H]([NH+]2CCC([N@H+](C)CCCO)CC2)C1=O ZINC000595319740 491917882 /nfs/dbraw/zinc/91/78/82/491917882.db2.gz DGKLBWQQYHHFGB-MRXNPFEDSA-N 2 2 355.479 0.319 10 0 FCAELP COC(=O)CCN1CCC[C@@H]([NH+]2CCC([N@@H+](C)CCCO)CC2)C1=O ZINC000595319740 491917885 /nfs/dbraw/zinc/91/78/85/491917885.db2.gz DGKLBWQQYHHFGB-MRXNPFEDSA-N 2 2 355.479 0.319 10 0 FCAELP COC(=O)CCN1CCC[C@H]([N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000595477256 491935255 /nfs/dbraw/zinc/93/52/55/491935255.db2.gz RSASNYFFOWTIEK-SJORKVTESA-N 2 2 367.490 0.585 10 0 FCAELP COC(=O)CCN1CCC[C@H]([N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000595477256 491935258 /nfs/dbraw/zinc/93/52/58/491935258.db2.gz RSASNYFFOWTIEK-SJORKVTESA-N 2 2 367.490 0.585 10 0 FCAELP COC(=O)c1cn([C@@H]2CC[N@H+](C[C@H](O)C[NH+](C)Cc3ccccc3)C2)nn1 ZINC000612827912 491953982 /nfs/dbraw/zinc/95/39/82/491953982.db2.gz CCRLNFMAHZBKJG-IAGOWNOFSA-N 2 2 373.457 0.804 10 0 FCAELP COC(=O)c1cn([C@@H]2CC[N@@H+](C[C@H](O)C[NH+](C)Cc3ccccc3)C2)nn1 ZINC000612827912 491953985 /nfs/dbraw/zinc/95/39/85/491953985.db2.gz CCRLNFMAHZBKJG-IAGOWNOFSA-N 2 2 373.457 0.804 10 0 FCAELP COC(=O)c1cn([C@@H]2CC[NH+](C[C@H](O)C[N@H+](C)Cc3ccccc3)C2)nn1 ZINC000612827912 491953988 /nfs/dbraw/zinc/95/39/88/491953988.db2.gz CCRLNFMAHZBKJG-IAGOWNOFSA-N 2 2 373.457 0.804 10 0 FCAELP COC(=O)c1cn([C@@H]2CC[NH+](C[C@H](O)C[N@@H+](C)Cc3ccccc3)C2)nn1 ZINC000612827912 491953990 /nfs/dbraw/zinc/95/39/90/491953990.db2.gz CCRLNFMAHZBKJG-IAGOWNOFSA-N 2 2 373.457 0.804 10 0 FCAELP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000595947785 491964101 /nfs/dbraw/zinc/96/41/01/491964101.db2.gz HYCNTCMSGSOQSS-DLBZAZTESA-N 2 2 362.474 0.199 10 0 FCAELP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000595947785 491964103 /nfs/dbraw/zinc/96/41/03/491964103.db2.gz HYCNTCMSGSOQSS-DLBZAZTESA-N 2 2 362.474 0.199 10 0 FCAELP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000595947788 491964128 /nfs/dbraw/zinc/96/41/28/491964128.db2.gz HYCNTCMSGSOQSS-IRXDYDNUSA-N 2 2 362.474 0.199 10 0 FCAELP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000595947788 491964129 /nfs/dbraw/zinc/96/41/29/491964129.db2.gz HYCNTCMSGSOQSS-IRXDYDNUSA-N 2 2 362.474 0.199 10 0 FCAELP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1ccc2[nH+]ccn2c1 ZINC000603881302 492044362 /nfs/dbraw/zinc/04/43/62/492044362.db2.gz CQNZPUURFDERLC-MRXNPFEDSA-N 2 2 371.441 0.986 10 0 FCAELP CN(CC(=O)NC(C)(C)C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604209970 492054854 /nfs/dbraw/zinc/05/48/54/492054854.db2.gz ZSAWQHOWMSBYKK-AWEZNQCLSA-N 2 2 353.511 0.711 10 0 FCAELP CN(CC(=O)NC(C)(C)C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604209970 492054855 /nfs/dbraw/zinc/05/48/55/492054855.db2.gz ZSAWQHOWMSBYKK-AWEZNQCLSA-N 2 2 353.511 0.711 10 0 FCAELP C[N@@H+]1CCC[C@H](N2CC[NH+](CCc3nnnn3-c3ccccc3)CC2)C1 ZINC000604388629 492059441 /nfs/dbraw/zinc/05/94/41/492059441.db2.gz HEJBMHGGZVVNSN-SFHVURJKSA-N 2 2 355.490 0.917 10 0 FCAELP C[N@H+]1CCC[C@H](N2CC[NH+](CCc3nnnn3-c3ccccc3)CC2)C1 ZINC000604388629 492059444 /nfs/dbraw/zinc/05/94/44/492059444.db2.gz HEJBMHGGZVVNSN-SFHVURJKSA-N 2 2 355.490 0.917 10 0 FCAELP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000617015205 492152035 /nfs/dbraw/zinc/15/20/35/492152035.db2.gz XONJSTDGJHTANG-HZPDHXFCSA-N 2 2 366.506 0.156 10 0 FCAELP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000617015205 492152037 /nfs/dbraw/zinc/15/20/37/492152037.db2.gz XONJSTDGJHTANG-HZPDHXFCSA-N 2 2 366.506 0.156 10 0 FCAELP C[C@H]1CN(c2ccc(CNC(=O)CN3CC[NH+](C)CC3)c[nH+]2)C[C@H](C)O1 ZINC000599310982 492158501 /nfs/dbraw/zinc/15/85/01/492158501.db2.gz KTMPSSXSNOUOJA-HOTGVXAUSA-N 2 2 361.490 0.559 10 0 FCAELP Cn1cc(-n2cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc2=O)cn1 ZINC000617764788 492190203 /nfs/dbraw/zinc/19/02/03/492190203.db2.gz GNOVOGOMEIYJNB-UHFFFAOYSA-N 2 2 360.462 0.184 10 0 FCAELP Cn1cc(-n2cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc2=O)cn1 ZINC000617764788 492190205 /nfs/dbraw/zinc/19/02/05/492190205.db2.gz GNOVOGOMEIYJNB-UHFFFAOYSA-N 2 2 360.462 0.184 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000617768241 492190534 /nfs/dbraw/zinc/19/05/34/492190534.db2.gz VMQSEVDEQWDGGA-LBPRGKRZSA-N 2 2 352.401 0.397 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000617768241 492190536 /nfs/dbraw/zinc/19/05/36/492190536.db2.gz VMQSEVDEQWDGGA-LBPRGKRZSA-N 2 2 352.401 0.397 10 0 FCAELP CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617768000 492190940 /nfs/dbraw/zinc/19/09/40/492190940.db2.gz LGTHNLMUYPSFCO-LJQANCHMSA-N 2 2 360.502 0.960 10 0 FCAELP CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768000 492190943 /nfs/dbraw/zinc/19/09/43/492190943.db2.gz LGTHNLMUYPSFCO-LJQANCHMSA-N 2 2 360.502 0.960 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)CN1CCN(c2ccccn2)CC1 ZINC000617766784 492191084 /nfs/dbraw/zinc/19/10/84/492191084.db2.gz VFJQMPPTMMIEFX-UHFFFAOYSA-N 2 2 362.522 0.203 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CN1CCN(c2ccccn2)CC1 ZINC000617766784 492191086 /nfs/dbraw/zinc/19/10/86/492191086.db2.gz VFJQMPPTMMIEFX-UHFFFAOYSA-N 2 2 362.522 0.203 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000617768758 492191310 /nfs/dbraw/zinc/19/13/10/492191310.db2.gz SZQYZIUQOGZDHJ-UHFFFAOYSA-N 2 2 364.446 0.145 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000617768758 492191312 /nfs/dbraw/zinc/19/13/12/492191312.db2.gz SZQYZIUQOGZDHJ-UHFFFAOYSA-N 2 2 364.446 0.145 10 0 FCAELP CN(C)S(=O)(=O)c1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000617768777 492191525 /nfs/dbraw/zinc/19/15/25/492191525.db2.gz UTHNKOQRQOZBPH-UHFFFAOYSA-N 2 2 370.519 0.550 10 0 FCAELP CN(C)S(=O)(=O)c1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000617768777 492191526 /nfs/dbraw/zinc/19/15/26/492191526.db2.gz UTHNKOQRQOZBPH-UHFFFAOYSA-N 2 2 370.519 0.550 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000617768894 492191633 /nfs/dbraw/zinc/19/16/33/492191633.db2.gz YFUIJIULZVUVOG-UHFFFAOYSA-N 2 2 360.458 0.672 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000617768894 492191634 /nfs/dbraw/zinc/19/16/34/492191634.db2.gz YFUIJIULZVUVOG-UHFFFAOYSA-N 2 2 360.458 0.672 10 0 FCAELP CCN(C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC[N@H+](CC)C1 ZINC000617929599 492205407 /nfs/dbraw/zinc/20/54/07/492205407.db2.gz MYGFEQFTMAMFDO-IRXDYDNUSA-N 2 2 366.506 0.110 10 0 FCAELP CCN(C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000617929599 492205410 /nfs/dbraw/zinc/20/54/10/492205410.db2.gz MYGFEQFTMAMFDO-IRXDYDNUSA-N 2 2 366.506 0.110 10 0 FCAELP C[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654460526 492307625 /nfs/dbraw/zinc/30/76/25/492307625.db2.gz DFTGCFVLCUKCAW-XWTMOSNGSA-N 2 2 369.554 0.667 10 0 FCAELP C[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654460526 492307628 /nfs/dbraw/zinc/30/76/28/492307628.db2.gz DFTGCFVLCUKCAW-XWTMOSNGSA-N 2 2 369.554 0.667 10 0 FCAELP C[C@H](CNC(=O)NC[C@H](C)CN1CC[NH+](C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654460526 492307630 /nfs/dbraw/zinc/30/76/30/492307630.db2.gz DFTGCFVLCUKCAW-XWTMOSNGSA-N 2 2 369.554 0.667 10 0 FCAELP C[C@H](CNC(=O)NC[C@H](C)CN1CC[NH+](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654460526 492307633 /nfs/dbraw/zinc/30/76/33/492307633.db2.gz DFTGCFVLCUKCAW-XWTMOSNGSA-N 2 2 369.554 0.667 10 0 FCAELP C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C[NH2+]1 ZINC000627484075 492317946 /nfs/dbraw/zinc/31/79/46/492317946.db2.gz QKUWNGAYXLXMOQ-DZGCQCFKSA-N 2 2 350.488 0.649 10 0 FCAELP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627503373 492326000 /nfs/dbraw/zinc/32/60/00/492326000.db2.gz JXUAUXGMBZGXDB-GOEBONIOSA-N 2 2 360.458 0.206 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000620723473 492328570 /nfs/dbraw/zinc/32/85/70/492328570.db2.gz NKHBUKCEVYTJCX-UYAOXDASSA-N 2 2 374.529 0.887 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000620723473 492328572 /nfs/dbraw/zinc/32/85/72/492328572.db2.gz NKHBUKCEVYTJCX-UYAOXDASSA-N 2 2 374.529 0.887 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000620723473 492328575 /nfs/dbraw/zinc/32/85/75/492328575.db2.gz 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LEWSIQHHHPUAKV-HRCADAONSA-N 2 2 354.495 0.155 10 0 FCAELP CC[NH+]1CCCN(C(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656062634 492526052 /nfs/dbraw/zinc/52/60/52/492526052.db2.gz LEWSIQHHHPUAKV-HRCADAONSA-N 2 2 354.495 0.155 10 0 FCAELP C[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656063825 492527040 /nfs/dbraw/zinc/52/70/40/492527040.db2.gz MHWLYCBSMIDGCZ-WCXIOVBPSA-N 2 2 368.522 0.401 10 0 FCAELP C[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656063825 492527042 /nfs/dbraw/zinc/52/70/42/492527042.db2.gz MHWLYCBSMIDGCZ-WCXIOVBPSA-N 2 2 368.522 0.401 10 0 FCAELP C[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[NH+](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656063825 492527044 /nfs/dbraw/zinc/52/70/44/492527044.db2.gz MHWLYCBSMIDGCZ-WCXIOVBPSA-N 2 2 368.522 0.401 10 0 FCAELP C[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[NH+](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656063825 492527045 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ZINC000649741381 492577002 /nfs/dbraw/zinc/57/70/02/492577002.db2.gz MQDZUPQFMBAXMF-DLBZAZTESA-N 2 2 369.506 0.219 10 0 FCAELP COC[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000649743705 492579030 /nfs/dbraw/zinc/57/90/30/492579030.db2.gz AAWOHDVOXAHYTB-JKSUJKDBSA-N 2 2 353.488 0.474 10 0 FCAELP COC[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000649743705 492579034 /nfs/dbraw/zinc/57/90/34/492579034.db2.gz AAWOHDVOXAHYTB-JKSUJKDBSA-N 2 2 353.488 0.474 10 0 FCAELP COC[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000649760525 492580976 /nfs/dbraw/zinc/58/09/76/492580976.db2.gz UAHMMDDSBDRCDT-BHIYHBOVSA-N 2 2 361.486 0.973 10 0 FCAELP COC[C@H]1C[C@@H](O)C[N@H+]1CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000649760525 492580979 /nfs/dbraw/zinc/58/09/79/492580979.db2.gz UAHMMDDSBDRCDT-BHIYHBOVSA-N 2 2 361.486 0.973 10 0 FCAELP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656309972 492584332 /nfs/dbraw/zinc/58/43/32/492584332.db2.gz VSZYKGKAIAOHSZ-XUWVNRHRSA-N 2 2 356.511 0.447 10 0 FCAELP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656309972 492584335 /nfs/dbraw/zinc/58/43/35/492584335.db2.gz VSZYKGKAIAOHSZ-XUWVNRHRSA-N 2 2 356.511 0.447 10 0 FCAELP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656309972 492584338 /nfs/dbraw/zinc/58/43/38/492584338.db2.gz VSZYKGKAIAOHSZ-XUWVNRHRSA-N 2 2 356.511 0.447 10 0 FCAELP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656309972 492584341 /nfs/dbraw/zinc/58/43/41/492584341.db2.gz VSZYKGKAIAOHSZ-XUWVNRHRSA-N 2 2 356.511 0.447 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656316202 492588778 /nfs/dbraw/zinc/58/87/78/492588778.db2.gz PZJOXBWDHCTJIU-DGADGQDISA-N 2 2 354.495 0.199 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656316202 492588781 /nfs/dbraw/zinc/58/87/81/492588781.db2.gz PZJOXBWDHCTJIU-DGADGQDISA-N 2 2 354.495 0.199 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656316202 492588785 /nfs/dbraw/zinc/58/87/85/492588785.db2.gz PZJOXBWDHCTJIU-DGADGQDISA-N 2 2 354.495 0.199 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656316202 492588786 /nfs/dbraw/zinc/58/87/86/492588786.db2.gz PZJOXBWDHCTJIU-DGADGQDISA-N 2 2 354.495 0.199 10 0 FCAELP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000656316459 492589393 /nfs/dbraw/zinc/58/93/93/492589393.db2.gz RWCLXPPYARIYHW-YVSFHVDLSA-N 2 2 366.506 0.202 10 0 FCAELP C[C@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000624284124 492634506 /nfs/dbraw/zinc/63/45/06/492634506.db2.gz HOCUWNQJQCVINX-DOTOQJQBSA-N 2 2 366.531 0.977 10 0 FCAELP C[C@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000624284124 492634507 /nfs/dbraw/zinc/63/45/07/492634507.db2.gz HOCUWNQJQCVINX-DOTOQJQBSA-N 2 2 366.531 0.977 10 0 FCAELP C[NH2+]CCOCC[N@H+](C)Cc1nnc2n1c1ccc(C)cc1c(=O)n2C ZINC000629571116 492648958 /nfs/dbraw/zinc/64/89/58/492648958.db2.gz PTJPPLVCLPPRID-UHFFFAOYSA-N 2 2 358.446 0.557 10 0 FCAELP C[NH2+]CCOCC[N@@H+](C)Cc1nnc2n1c1ccc(C)cc1c(=O)n2C ZINC000629571116 492648963 /nfs/dbraw/zinc/64/89/63/492648963.db2.gz PTJPPLVCLPPRID-UHFFFAOYSA-N 2 2 358.446 0.557 10 0 FCAELP C[NH2+]CCOCC[N@H+](C)CC(=O)Nc1cc(-n2nnnc2C)ccc1F ZINC000629571633 492649720 /nfs/dbraw/zinc/64/97/20/492649720.db2.gz OIXTZGKAXAUZOJ-UHFFFAOYSA-N 2 2 365.413 0.216 10 0 FCAELP C[NH2+]CCOCC[N@@H+](C)CC(=O)Nc1cc(-n2nnnc2C)ccc1F ZINC000629571633 492649724 /nfs/dbraw/zinc/64/97/24/492649724.db2.gz OIXTZGKAXAUZOJ-UHFFFAOYSA-N 2 2 365.413 0.216 10 0 FCAELP Cc1cc(C(N)=O)cc(S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000657070866 492709197 /nfs/dbraw/zinc/70/91/97/492709197.db2.gz AIYPAKNSKFKSJS-AWEZNQCLSA-N 2 2 370.519 0.644 10 0 FCAELP Cc1cc(C(N)=O)cc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000657070866 492709200 /nfs/dbraw/zinc/70/92/00/492709200.db2.gz AIYPAKNSKFKSJS-AWEZNQCLSA-N 2 2 370.519 0.644 10 0 FCAELP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)CC1 ZINC000625257864 492746761 /nfs/dbraw/zinc/74/67/61/492746761.db2.gz XEXKBPFJPVLTBR-MRXNPFEDSA-N 2 2 361.490 0.767 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CNC(=O)c4ccccc43)C2)CC1 ZINC000625522177 492809630 /nfs/dbraw/zinc/80/96/30/492809630.db2.gz LNOOCCRAVWUUAU-KSSFIOAISA-N 2 2 356.470 0.798 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CNC(=O)c4ccccc43)C2)CC1 ZINC000625522177 492809634 /nfs/dbraw/zinc/80/96/34/492809634.db2.gz LNOOCCRAVWUUAU-KSSFIOAISA-N 2 2 356.470 0.798 10 0 FCAELP COc1ccc(COCC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000625523046 492810514 /nfs/dbraw/zinc/81/05/14/492810514.db2.gz WCWVNMXTKPYRLP-MRXNPFEDSA-N 2 2 362.474 0.892 10 0 FCAELP COc1ccc(COCC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000625523046 492810515 /nfs/dbraw/zinc/81/05/15/492810515.db2.gz WCWVNMXTKPYRLP-MRXNPFEDSA-N 2 2 362.474 0.892 10 0 FCAELP CCN1C(=O)CO[C@@H](C(=O)N[C@@H](C)C[NH+](CC)CC)[C@@H]1c1[nH+]ccn1C ZINC000625576338 492825192 /nfs/dbraw/zinc/82/51/92/492825192.db2.gz GKUPBLMEFJORJM-NUEKZKHPSA-N 2 2 365.478 0.555 10 0 FCAELP C[N@H+](CCCNS(=O)(=O)C[C@H]1C[NH+](C)CCO1)Cc1ccccc1 ZINC000631678293 492834526 /nfs/dbraw/zinc/83/45/26/492834526.db2.gz NQQKQJLRAPISRJ-QGZVFWFLSA-N 2 2 355.504 0.759 10 0 FCAELP C[N@@H+](CCCNS(=O)(=O)C[C@H]1C[NH+](C)CCO1)Cc1ccccc1 ZINC000631678293 492834528 /nfs/dbraw/zinc/83/45/28/492834528.db2.gz NQQKQJLRAPISRJ-QGZVFWFLSA-N 2 2 355.504 0.759 10 0 FCAELP C[NH+](CCCNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)Cc1ccccc1 ZINC000631678293 492834530 /nfs/dbraw/zinc/83/45/30/492834530.db2.gz NQQKQJLRAPISRJ-QGZVFWFLSA-N 2 2 355.504 0.759 10 0 FCAELP C[NH+](CCCNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)Cc1ccccc1 ZINC000631678293 492834532 /nfs/dbraw/zinc/83/45/32/492834532.db2.gz NQQKQJLRAPISRJ-QGZVFWFLSA-N 2 2 355.504 0.759 10 0 FCAELP CN1CCO[C@@H](CS(=O)(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000631724662 492840923 /nfs/dbraw/zinc/84/09/23/492840923.db2.gz BXYLASAPFRNYDD-QGZVFWFLSA-N 2 2 364.471 0.681 10 0 FCAELP C[N@@H+]1CCO[C@@H](CS(=O)(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000631724662 492840928 /nfs/dbraw/zinc/84/09/28/492840928.db2.gz BXYLASAPFRNYDD-QGZVFWFLSA-N 2 2 364.471 0.681 10 0 FCAELP C[N@H+]1CCO[C@@H](CS(=O)(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000631724662 492840933 /nfs/dbraw/zinc/84/09/33/492840933.db2.gz BXYLASAPFRNYDD-QGZVFWFLSA-N 2 2 364.471 0.681 10 0 FCAELP C[C@@H](CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000631724202 492841366 /nfs/dbraw/zinc/84/13/66/492841366.db2.gz YQVSFSHKARGORP-YJBOKZPZSA-N 2 2 367.515 0.683 10 0 FCAELP C[C@@H](CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000631724202 492841368 /nfs/dbraw/zinc/84/13/68/492841368.db2.gz YQVSFSHKARGORP-YJBOKZPZSA-N 2 2 367.515 0.683 10 0 FCAELP C[C@@H](CNS(=O)(=O)C[C@@H]1C[NH+](C)CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000631724202 492841372 /nfs/dbraw/zinc/84/13/72/492841372.db2.gz YQVSFSHKARGORP-YJBOKZPZSA-N 2 2 367.515 0.683 10 0 FCAELP C[C@@H](CNS(=O)(=O)C[C@@H]1C[NH+](C)CCO1)[N@H+]1CCc2ccccc2C1 ZINC000631724202 492841376 /nfs/dbraw/zinc/84/13/76/492841376.db2.gz YQVSFSHKARGORP-YJBOKZPZSA-N 2 2 367.515 0.683 10 0 FCAELP C[NH+](C)CCOc1cccc(CNS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)c1 ZINC000631765875 492849137 /nfs/dbraw/zinc/84/91/37/492849137.db2.gz RHJHIWMABVMCJS-KRWDZBQOSA-N 2 2 371.503 0.377 10 0 FCAELP C[NH+](C)CCOc1cccc(CNS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000631765875 492849142 /nfs/dbraw/zinc/84/91/42/492849142.db2.gz RHJHIWMABVMCJS-KRWDZBQOSA-N 2 2 371.503 0.377 10 0 FCAELP C[N@@H+]1CCO[C@@H](CS(=O)(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000631770490 492850335 /nfs/dbraw/zinc/85/03/35/492850335.db2.gz FYSRVKPWPKAQMV-QGZVFWFLSA-N 2 2 368.503 0.296 10 0 FCAELP C[N@H+]1CCO[C@@H](CS(=O)(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000631770490 492850340 /nfs/dbraw/zinc/85/03/40/492850340.db2.gz FYSRVKPWPKAQMV-QGZVFWFLSA-N 2 2 368.503 0.296 10 0 FCAELP C[NH+](C)CCN(Cc1ccc(F)cc1)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631776211 492851253 /nfs/dbraw/zinc/85/12/53/492851253.db2.gz HXSVAVQHFBFIQX-KRWDZBQOSA-N 2 2 373.494 0.850 10 0 FCAELP C[NH+](C)CCN(Cc1ccc(F)cc1)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631776211 492851256 /nfs/dbraw/zinc/85/12/56/492851256.db2.gz HXSVAVQHFBFIQX-KRWDZBQOSA-N 2 2 373.494 0.850 10 0 FCAELP CC[NH+](CC)[C@H](CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)c1ccco1 ZINC000631813822 492858019 /nfs/dbraw/zinc/85/80/19/492858019.db2.gz ZSBKPVNNIAJDHS-HUUCEWRRSA-N 2 2 359.492 0.913 10 0 FCAELP CC[NH+](CC)[C@H](CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)c1ccco1 ZINC000631813822 492858024 /nfs/dbraw/zinc/85/80/24/492858024.db2.gz ZSBKPVNNIAJDHS-HUUCEWRRSA-N 2 2 359.492 0.913 10 0 FCAELP Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cn(C)c1=O ZINC000658335890 492862112 /nfs/dbraw/zinc/86/21/12/492862112.db2.gz IXVZWKFXGWOCQA-AWEZNQCLSA-N 2 2 365.478 0.020 10 0 FCAELP Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cn(C)c1=O ZINC000658335890 492862113 /nfs/dbraw/zinc/86/21/13/492862113.db2.gz IXVZWKFXGWOCQA-AWEZNQCLSA-N 2 2 365.478 0.020 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cccc2c1OCO2 ZINC000658337687 492862145 /nfs/dbraw/zinc/86/21/45/492862145.db2.gz VPZIPLCZSIVXIN-ZDUSSCGKSA-N 2 2 364.446 0.742 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cccc2c1OCO2 ZINC000658337687 492862147 /nfs/dbraw/zinc/86/21/47/492862147.db2.gz VPZIPLCZSIVXIN-ZDUSSCGKSA-N 2 2 364.446 0.742 10 0 FCAELP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)N1CCN(C(=O)c2ccco2)CC1 ZINC000631888474 492869876 /nfs/dbraw/zinc/86/98/76/492869876.db2.gz ZUWQIPNFCRAFES-JKSUJKDBSA-N 2 2 360.458 0.638 10 0 FCAELP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)N1CCN(C(=O)c2ccco2)CC1 ZINC000631888474 492869878 /nfs/dbraw/zinc/86/98/78/492869878.db2.gz ZUWQIPNFCRAFES-JKSUJKDBSA-N 2 2 360.458 0.638 10 0 FCAELP Cc1cccc(C[NH+]2CCN(S(=O)(=O)C[C@@H]3C[NH2+]CCO3)CC2)c1 ZINC000631910112 492876716 /nfs/dbraw/zinc/87/67/16/492876716.db2.gz XLIXLDAHYDRDLS-KRWDZBQOSA-N 2 2 353.488 0.431 10 0 FCAELP Cn1cc[nH+]c1[C@@H](NS(=O)(=O)C[C@H]1C[NH2+]CCO1)c1cccc(F)c1 ZINC000631911081 492876805 /nfs/dbraw/zinc/87/68/05/492876805.db2.gz VNWREJBAPUQFFA-CABCVRRESA-N 2 2 368.434 0.556 10 0 FCAELP C[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)CO1 ZINC000658419692 492878279 /nfs/dbraw/zinc/87/82/79/492878279.db2.gz IQTROQKGGGODQB-KBPBESRZSA-N 2 2 372.429 0.431 10 0 FCAELP C[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)CO1 ZINC000658419692 492878285 /nfs/dbraw/zinc/87/82/85/492878285.db2.gz IQTROQKGGGODQB-KBPBESRZSA-N 2 2 372.429 0.431 10 0 FCAELP C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)CO1 ZINC000658419694 492878721 /nfs/dbraw/zinc/87/87/21/492878721.db2.gz IQTROQKGGGODQB-UONOGXRCSA-N 2 2 372.429 0.431 10 0 FCAELP C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)CO1 ZINC000658419694 492878728 /nfs/dbraw/zinc/87/87/28/492878728.db2.gz IQTROQKGGGODQB-UONOGXRCSA-N 2 2 372.429 0.431 10 0 FCAELP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000631914525 492880548 /nfs/dbraw/zinc/88/05/48/492880548.db2.gz YARYWBFZORPSST-INIZCTEOSA-N 2 2 368.503 0.870 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(-n2cccn2)nc1 ZINC000658426821 492885301 /nfs/dbraw/zinc/88/53/01/492885301.db2.gz KVEPUKYUCNLIBT-UHFFFAOYSA-N 2 2 373.461 0.206 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(-n2cccn2)nc1 ZINC000658426821 492885304 /nfs/dbraw/zinc/88/53/04/492885304.db2.gz KVEPUKYUCNLIBT-UHFFFAOYSA-N 2 2 373.461 0.206 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000658428940 492886426 /nfs/dbraw/zinc/88/64/26/492886426.db2.gz PVWNKISCWALBFP-UHFFFAOYSA-N 3 2 373.461 0.206 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000658428940 492886428 /nfs/dbraw/zinc/88/64/28/492886428.db2.gz PVWNKISCWALBFP-UHFFFAOYSA-N 3 2 373.461 0.206 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1nc(C(C)(C)C)ns1 ZINC000658428220 492886579 /nfs/dbraw/zinc/88/65/79/492886579.db2.gz UPBPYOZKTNDPED-UHFFFAOYSA-N 2 2 370.523 0.774 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1nc(C(C)(C)C)ns1 ZINC000658428220 492886581 /nfs/dbraw/zinc/88/65/81/492886581.db2.gz UPBPYOZKTNDPED-UHFFFAOYSA-N 2 2 370.523 0.774 10 0 FCAELP Cc1c(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)cccc1N(C)C ZINC000658429059 492886602 /nfs/dbraw/zinc/88/66/02/492886602.db2.gz RIZXMFAKBNMXLM-UHFFFAOYSA-N 2 2 363.506 0.999 10 0 FCAELP Cc1c(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cccc1N(C)C ZINC000658429059 492886605 /nfs/dbraw/zinc/88/66/05/492886605.db2.gz RIZXMFAKBNMXLM-UHFFFAOYSA-N 2 2 363.506 0.999 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccnn1C(C)(C)C ZINC000658429217 492886711 /nfs/dbraw/zinc/88/67/11/492886711.db2.gz UKZUNDSDVVCASX-UHFFFAOYSA-N 2 2 352.483 0.576 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccnn1C(C)(C)C ZINC000658429217 492886714 /nfs/dbraw/zinc/88/67/14/492886714.db2.gz UKZUNDSDVVCASX-UHFFFAOYSA-N 2 2 352.483 0.576 10 0 FCAELP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000658431408 492887792 /nfs/dbraw/zinc/88/77/92/492887792.db2.gz AIGDSBJPNMHYBZ-HOTGVXAUSA-N 2 2 366.506 0.299 10 0 FCAELP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000658431408 492887796 /nfs/dbraw/zinc/88/77/96/492887796.db2.gz AIGDSBJPNMHYBZ-HOTGVXAUSA-N 2 2 366.506 0.299 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)NCCC2CC[NH2+]CC2)C1=O ZINC000652177323 492890519 /nfs/dbraw/zinc/89/05/19/492890519.db2.gz GVFFNJBSTHOVKX-HNNXBMFYSA-N 2 2 362.478 0.600 10 0 FCAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000625807894 492891199 /nfs/dbraw/zinc/89/11/99/492891199.db2.gz ZJWCTKGWEOKAFP-QGZVFWFLSA-N 2 2 372.473 0.507 10 0 FCAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000625807894 492891202 /nfs/dbraw/zinc/89/12/02/492891202.db2.gz ZJWCTKGWEOKAFP-QGZVFWFLSA-N 2 2 372.473 0.507 10 0 FCAELP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000631935964 492891450 /nfs/dbraw/zinc/89/14/50/492891450.db2.gz POSKKCLVKUGEQE-SWLSCSKDSA-N 2 2 359.879 0.605 10 0 FCAELP C[NH2+]CCOCCNC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000625842226 492894073 /nfs/dbraw/zinc/89/40/73/492894073.db2.gz ORBFPZUYABHABX-UHFFFAOYSA-N 2 2 363.462 0.432 10 0 FCAELP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638118633 492909806 /nfs/dbraw/zinc/90/98/06/492909806.db2.gz BTGYUNQEQVKIKV-JFIYKMOQSA-N 2 2 358.486 0.834 10 0 FCAELP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638118633 492909812 /nfs/dbraw/zinc/90/98/12/492909812.db2.gz BTGYUNQEQVKIKV-JFIYKMOQSA-N 2 2 358.486 0.834 10 0 FCAELP O=C(CC[N@@H+]1CCn2c(Cc3ccccc3F)nnc2C1)N1CC[NH2+]CC1 ZINC000652353287 492914796 /nfs/dbraw/zinc/91/47/96/492914796.db2.gz ZMCBHSJONLPMHI-UHFFFAOYSA-N 2 2 372.448 0.646 10 0 FCAELP O=C(CC[N@H+]1CCn2c(Cc3ccccc3F)nnc2C1)N1CC[NH2+]CC1 ZINC000652353287 492914800 /nfs/dbraw/zinc/91/48/00/492914800.db2.gz ZMCBHSJONLPMHI-UHFFFAOYSA-N 2 2 372.448 0.646 10 0 FCAELP CN(C(=O)CCc1nn[nH]n1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000632100458 492929553 /nfs/dbraw/zinc/92/95/53/492929553.db2.gz DJOPZMRBIFMKCI-JKSUJKDBSA-N 2 2 363.510 0.928 10 0 FCAELP CN(C(=O)CCc1nn[nH]n1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000632100458 492929556 /nfs/dbraw/zinc/92/95/56/492929556.db2.gz DJOPZMRBIFMKCI-JKSUJKDBSA-N 2 2 363.510 0.928 10 0 FCAELP CNS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000626169683 492942577 /nfs/dbraw/zinc/94/25/77/492942577.db2.gz QELVCYVKDBHBRC-MSOLQXFVSA-N 2 2 369.531 0.741 10 0 FCAELP CNS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000626169683 492942580 /nfs/dbraw/zinc/94/25/80/492942580.db2.gz QELVCYVKDBHBRC-MSOLQXFVSA-N 2 2 369.531 0.741 10 0 FCAELP CNS(=O)(=O)C[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000626169683 492942582 /nfs/dbraw/zinc/94/25/82/492942582.db2.gz QELVCYVKDBHBRC-MSOLQXFVSA-N 2 2 369.531 0.741 10 0 FCAELP CNS(=O)(=O)C[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000626169683 492942585 /nfs/dbraw/zinc/94/25/85/492942585.db2.gz QELVCYVKDBHBRC-MSOLQXFVSA-N 2 2 369.531 0.741 10 0 FCAELP Cc1cc(CNS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)cc(N2CCCC2)[nH+]1 ZINC000632345722 492979542 /nfs/dbraw/zinc/97/95/42/492979542.db2.gz SOKSHRWMRJOGLT-INIZCTEOSA-N 2 2 368.503 0.740 10 0 FCAELP Cc1cc(CNS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)cc(N2CCCC2)[nH+]1 ZINC000632345722 492979545 /nfs/dbraw/zinc/97/95/45/492979545.db2.gz SOKSHRWMRJOGLT-INIZCTEOSA-N 2 2 368.503 0.740 10 0 FCAELP C[C@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638849745 492981503 /nfs/dbraw/zinc/98/15/03/492981503.db2.gz FSZREAZLLHVKAP-NUJGCVRESA-N 2 2 358.486 0.691 10 0 FCAELP C[C@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638849745 492981508 /nfs/dbraw/zinc/98/15/08/492981508.db2.gz FSZREAZLLHVKAP-NUJGCVRESA-N 2 2 358.486 0.691 10 0 FCAELP COCC[NH2+]C1CCN(C(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000652673638 492985020 /nfs/dbraw/zinc/98/50/20/492985020.db2.gz WOTOBQGMJNITRO-UHFFFAOYSA-N 2 2 374.485 0.345 10 0 FCAELP [NH3+]CC1(CCNC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000652709894 492996652 /nfs/dbraw/zinc/99/66/52/492996652.db2.gz BUXRRGXNOAVYIC-UHFFFAOYSA-N 2 2 350.488 0.638 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@](C(=O)NC)(C(F)(F)F)C2)CC1 ZINC000646108264 493012737 /nfs/dbraw/zinc/01/27/37/493012737.db2.gz CYJXTRVGWUTXKY-DOMZBBRYSA-N 2 2 364.412 0.539 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@](C(=O)NC)(C(F)(F)F)C2)CC1 ZINC000646108264 493012738 /nfs/dbraw/zinc/01/27/38/493012738.db2.gz CYJXTRVGWUTXKY-DOMZBBRYSA-N 2 2 364.412 0.539 10 0 FCAELP Cc1nc(N)c(CNC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)c[nH+]1 ZINC000646166805 493021852 /nfs/dbraw/zinc/02/18/52/493021852.db2.gz XEYXHWUUYVDOSO-QGZVFWFLSA-N 2 2 354.458 0.972 10 0 FCAELP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000626810566 493023813 /nfs/dbraw/zinc/02/38/13/493023813.db2.gz HWUUOWHDLSNCBV-CQSZACIVSA-N 2 2 369.425 0.857 10 0 FCAELP C[N@@H+]1CCO[C@@H](CS(=O)(=O)NC[C@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000632574461 493031992 /nfs/dbraw/zinc/03/19/92/493031992.db2.gz IXDQAZVGTMFAOQ-IAGOWNOFSA-N 2 2 353.488 0.511 10 0 FCAELP C[N@H+]1CCO[C@@H](CS(=O)(=O)NC[C@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000632574461 493031997 /nfs/dbraw/zinc/03/19/97/493031997.db2.gz IXDQAZVGTMFAOQ-IAGOWNOFSA-N 2 2 353.488 0.511 10 0 FCAELP C[NH+]1CCO[C@@H](CS(=O)(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC000632574461 493032001 /nfs/dbraw/zinc/03/20/01/493032001.db2.gz IXDQAZVGTMFAOQ-IAGOWNOFSA-N 2 2 353.488 0.511 10 0 FCAELP C[NH+]1CCO[C@@H](CS(=O)(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC000632574461 493032005 /nfs/dbraw/zinc/03/20/05/493032005.db2.gz IXDQAZVGTMFAOQ-IAGOWNOFSA-N 2 2 353.488 0.511 10 0 FCAELP CCN(C(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000658804367 493062024 /nfs/dbraw/zinc/06/20/24/493062024.db2.gz SPMYEDWJPMZURN-CAOSSQGBSA-N 2 2 354.495 0.153 10 0 FCAELP CCN(C(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000658804367 493062028 /nfs/dbraw/zinc/06/20/28/493062028.db2.gz SPMYEDWJPMZURN-CAOSSQGBSA-N 2 2 354.495 0.153 10 0 FCAELP CCN(C(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000658804367 493062031 /nfs/dbraw/zinc/06/20/31/493062031.db2.gz SPMYEDWJPMZURN-CAOSSQGBSA-N 2 2 354.495 0.153 10 0 FCAELP CCN(C(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000658804367 493062036 /nfs/dbraw/zinc/06/20/36/493062036.db2.gz SPMYEDWJPMZURN-CAOSSQGBSA-N 2 2 354.495 0.153 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)ccc2[nH+]1 ZINC000658805841 493063475 /nfs/dbraw/zinc/06/34/75/493063475.db2.gz ZVBJMLCIXIYMNE-MRXNPFEDSA-N 2 2 371.441 0.951 10 0 FCAELP [NH3+]CCCOCCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000626926002 493064986 /nfs/dbraw/zinc/06/49/86/493064986.db2.gz UUQOYPJJDXLMKU-KRWDZBQOSA-N 2 2 350.463 0.725 10 0 FCAELP C[C@H]1CN(c2ccc(CNC(=O)N(C)CCOCC[NH3+])c[nH+]2)C[C@H](C)O1 ZINC000626931518 493066360 /nfs/dbraw/zinc/06/63/60/493066360.db2.gz HOGMFMNABKQXCP-GJZGRUSLSA-N 2 2 365.478 0.812 10 0 FCAELP C[C@@H]1CN(c2ccc(CNC(=O)NCC3([NH3+])CCOCC3)c[nH+]2)CCO1 ZINC000626931891 493066391 /nfs/dbraw/zinc/06/63/91/493066391.db2.gz NVGGEGZGDGSPBH-CQSZACIVSA-N 2 2 363.462 0.614 10 0 FCAELP CC1(CNC(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)CC[NH2+]CC1 ZINC000627083426 493086353 /nfs/dbraw/zinc/08/63/53/493086353.db2.gz HMEDUFPODNBYDC-QGZVFWFLSA-N 2 2 361.490 0.971 10 0 FCAELP CC1(CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)CC[NH2+]CC1 ZINC000627083426 493086356 /nfs/dbraw/zinc/08/63/56/493086356.db2.gz HMEDUFPODNBYDC-QGZVFWFLSA-N 2 2 361.490 0.971 10 0 FCAELP COCCOCC[NH+]1CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000653275536 493088387 /nfs/dbraw/zinc/08/83/87/493088387.db2.gz HSKJULCXMOWWRA-JTDSTZFVSA-N 2 2 369.506 0.326 10 0 FCAELP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627118342 493090400 /nfs/dbraw/zinc/09/04/00/493090400.db2.gz YIWPNNLDJPNAHS-ZWKOTPCHSA-N 2 2 361.490 0.090 10 0 FCAELP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627118342 493090405 /nfs/dbraw/zinc/09/04/05/493090405.db2.gz YIWPNNLDJPNAHS-ZWKOTPCHSA-N 2 2 361.490 0.090 10 0 FCAELP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627118342 493090411 /nfs/dbraw/zinc/09/04/11/493090411.db2.gz YIWPNNLDJPNAHS-ZWKOTPCHSA-N 2 2 361.490 0.090 10 0 FCAELP C[C@@H]1CC[C@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)C[NH2+]1 ZINC000627195111 493106433 /nfs/dbraw/zinc/10/64/33/493106433.db2.gz JSFKJFPCRUDHRZ-IKGGRYGDSA-N 2 2 365.522 0.855 10 0 FCAELP CC(C)[C@H]1C[NH2+]CCN1C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000627225628 493110211 /nfs/dbraw/zinc/11/02/11/493110211.db2.gz YZDSATDPCFUHLA-QZTJIDSGSA-N 2 2 361.490 0.922 10 0 FCAELP CC(C)[C@H]1C[NH2+]CCN1C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000627225628 493110215 /nfs/dbraw/zinc/11/02/15/493110215.db2.gz YZDSATDPCFUHLA-QZTJIDSGSA-N 2 2 361.490 0.922 10 0 FCAELP COCC[N@H+](C)CCCNC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633076902 493115852 /nfs/dbraw/zinc/11/58/52/493115852.db2.gz NNHPPAWRPRUDFF-UHFFFAOYSA-N 2 2 364.494 0.315 10 0 FCAELP COCC[N@@H+](C)CCCNC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633076902 493115856 /nfs/dbraw/zinc/11/58/56/493115856.db2.gz NNHPPAWRPRUDFF-UHFFFAOYSA-N 2 2 364.494 0.315 10 0 FCAELP [NH3+][C@H]1CCCCCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000633076077 493116069 /nfs/dbraw/zinc/11/60/69/493116069.db2.gz GLIOYZPTYLTFHN-HOTGVXAUSA-N 2 2 352.479 0.040 10 0 FCAELP 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C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cccc(O[C@@H]2CC(=O)N2)c1 ZINC000667247211 493268551 /nfs/dbraw/zinc/26/85/51/493268551.db2.gz ADIHNWADJQIGPD-QGZVFWFLSA-N 2 2 363.462 0.916 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cccc(O[C@@H]2CC(=O)N2)c1 ZINC000667247211 493268554 /nfs/dbraw/zinc/26/85/54/493268554.db2.gz ADIHNWADJQIGPD-QGZVFWFLSA-N 2 2 363.462 0.916 10 0 FCAELP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCN2C(=O)CN(C)C2=O)CC1 ZINC000659862901 493296275 /nfs/dbraw/zinc/29/62/75/493296275.db2.gz FDCUMSYYUBKSJL-HOTGVXAUSA-N 2 2 351.495 0.371 10 0 FCAELP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000673299670 493314348 /nfs/dbraw/zinc/31/43/48/493314348.db2.gz GVMXZQWXWVRFKV-IXDOHACOSA-N 2 2 371.485 0.862 10 0 FCAELP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000673299670 493314350 /nfs/dbraw/zinc/31/43/50/493314350.db2.gz GVMXZQWXWVRFKV-IXDOHACOSA-N 2 2 371.485 0.862 10 0 FCAELP Cn1ccnc1C[NH+]1CCC(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)CC1 ZINC000683913324 493379217 /nfs/dbraw/zinc/37/92/17/493379217.db2.gz WJZDGUQMYOFIEU-LJQANCHMSA-N 2 2 363.506 0.547 10 0 FCAELP COc1ccc2ncc(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)n2n1 ZINC000668639262 493388800 /nfs/dbraw/zinc/38/88/00/493388800.db2.gz HFIGSSGVXGSACT-ZDUSSCGKSA-N 2 2 358.446 0.636 10 0 FCAELP COc1ccc2ncc(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)n2n1 ZINC000668639262 493388803 /nfs/dbraw/zinc/38/88/03/493388803.db2.gz HFIGSSGVXGSACT-ZDUSSCGKSA-N 2 2 358.446 0.636 10 0 FCAELP CCN(C(=O)C(=O)NCC[NH+]1CCc2sccc2C1)[C@H]1CC[N@H+](C)C1 ZINC000668644316 493390274 /nfs/dbraw/zinc/39/02/74/493390274.db2.gz UEOQNKJMGCWCMQ-HNNXBMFYSA-N 2 2 364.515 0.775 10 0 FCAELP CCN(C(=O)C(=O)NCC[NH+]1CCc2sccc2C1)[C@H]1CC[N@@H+](C)C1 ZINC000668644316 493390276 /nfs/dbraw/zinc/39/02/76/493390276.db2.gz UEOQNKJMGCWCMQ-HNNXBMFYSA-N 2 2 364.515 0.775 10 0 FCAELP CCN(C(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1)[C@H]1CC[NH+](C)C1 ZINC000668644316 493390279 /nfs/dbraw/zinc/39/02/79/493390279.db2.gz UEOQNKJMGCWCMQ-HNNXBMFYSA-N 2 2 364.515 0.775 10 0 FCAELP CCN(C(=O)C(=O)NCC[N@H+]1CCc2sccc2C1)[C@H]1CC[NH+](C)C1 ZINC000668644316 493390281 /nfs/dbraw/zinc/39/02/81/493390281.db2.gz UEOQNKJMGCWCMQ-HNNXBMFYSA-N 2 2 364.515 0.775 10 0 FCAELP CCC[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1 ZINC000661011951 493402182 /nfs/dbraw/zinc/40/21/82/493402182.db2.gz LTRKHTYKNYKSRI-CABCVRRESA-N 2 2 362.478 0.695 10 0 FCAELP CCC[N@H+]1CC[C@@H](NC(=O)N[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1 ZINC000661011951 493402185 /nfs/dbraw/zinc/40/21/85/493402185.db2.gz LTRKHTYKNYKSRI-CABCVRRESA-N 2 2 362.478 0.695 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCO[C@@](C)(C3CC3)C2)C1 ZINC000661163910 493414481 /nfs/dbraw/zinc/41/44/81/493414481.db2.gz GOVBJGRBDUGHFP-PKOBYXMFSA-N 2 2 353.507 0.960 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCO[C@@](C)(C3CC3)C2)C1 ZINC000661163910 493414483 /nfs/dbraw/zinc/41/44/83/493414483.db2.gz GOVBJGRBDUGHFP-PKOBYXMFSA-N 2 2 353.507 0.960 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCO[C@@](C)(C3CC3)C2)C1 ZINC000661163910 493414485 /nfs/dbraw/zinc/41/44/85/493414485.db2.gz GOVBJGRBDUGHFP-PKOBYXMFSA-N 2 2 353.507 0.960 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCO[C@@](C)(C3CC3)C2)C1 ZINC000661163910 493414487 /nfs/dbraw/zinc/41/44/87/493414487.db2.gz GOVBJGRBDUGHFP-PKOBYXMFSA-N 2 2 353.507 0.960 10 0 FCAELP CCN(C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)[C@H]1CC[N@H+](CC)C1 ZINC000668828931 493417879 /nfs/dbraw/zinc/41/78/79/493417879.db2.gz ILVSWHGDDXTJBF-PMPSAXMXSA-N 2 2 354.495 0.155 10 0 FCAELP CCN(C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)[C@H]1CC[N@@H+](CC)C1 ZINC000668828931 493417882 /nfs/dbraw/zinc/41/78/82/493417882.db2.gz ILVSWHGDDXTJBF-PMPSAXMXSA-N 2 2 354.495 0.155 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC(CO)(CO)C2)CC1 ZINC000661944980 493476942 /nfs/dbraw/zinc/47/69/42/493476942.db2.gz MOOAFUZWYDBZKF-KRWDZBQOSA-N 2 2 361.486 0.569 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC(CO)(CO)C2)CC1 ZINC000661944980 493476943 /nfs/dbraw/zinc/47/69/43/493476943.db2.gz MOOAFUZWYDBZKF-KRWDZBQOSA-N 2 2 361.486 0.569 10 0 FCAELP CCS(=O)(=O)N[C@H](C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000669252514 493483510 /nfs/dbraw/zinc/48/35/10/493483510.db2.gz MWPLEEXLLQPZGF-OAHLLOKOSA-N 2 2 374.551 0.381 10 0 FCAELP Cc1noc(C)c1S(=O)(=O)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662248612 493500059 /nfs/dbraw/zinc/50/00/59/493500059.db2.gz HPPRVLRIGNNPCO-CQSZACIVSA-N 2 2 370.475 0.119 10 0 FCAELP Cc1noc(C)c1S(=O)(=O)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662248611 493500127 /nfs/dbraw/zinc/50/01/27/493500127.db2.gz HPPRVLRIGNNPCO-AWEZNQCLSA-N 2 2 370.475 0.119 10 0 FCAELP Cc1nc(S(=O)(=O)N2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)cs1 ZINC000662255149 493500743 /nfs/dbraw/zinc/50/07/43/493500743.db2.gz ALEQSSUKDFGCRZ-CYBMUJFWSA-N 2 2 372.516 0.279 10 0 FCAELP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000685533636 493502162 /nfs/dbraw/zinc/50/21/62/493502162.db2.gz QAYXWUXASRANNG-CVEARBPZSA-N 2 2 354.495 0.156 10 0 FCAELP [NH3+]CC12CC(C1)CN2CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000662304376 493505316 /nfs/dbraw/zinc/50/53/16/493505316.db2.gz PPFWFJFWMYDGBI-UHFFFAOYSA-N 2 2 358.486 0.558 10 0 FCAELP C[NH+](C)CCC[C@H]1C[N@H+](CCN2C(=O)NC3(CCCC3)C2=O)CCO1 ZINC000662323390 493506056 /nfs/dbraw/zinc/50/60/56/493506056.db2.gz ZJZGDIRAVNDSCH-HNNXBMFYSA-N 2 2 352.479 0.894 10 0 FCAELP C[NH+](C)CCC[C@H]1C[N@@H+](CCN2C(=O)NC3(CCCC3)C2=O)CCO1 ZINC000662323390 493506058 /nfs/dbraw/zinc/50/60/58/493506058.db2.gz ZJZGDIRAVNDSCH-HNNXBMFYSA-N 2 2 352.479 0.894 10 0 FCAELP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662322414 493506301 /nfs/dbraw/zinc/50/63/01/493506301.db2.gz LXBQJQDDSAHIMZ-GOEBONIOSA-N 2 2 354.495 0.141 10 0 FCAELP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662322414 493506304 /nfs/dbraw/zinc/50/63/04/493506304.db2.gz LXBQJQDDSAHIMZ-GOEBONIOSA-N 2 2 354.495 0.141 10 0 FCAELP CC(C)OC[C@H]([NH3+])C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000662388902 493511880 /nfs/dbraw/zinc/51/18/80/493511880.db2.gz PTDKNQKDZIUVFC-KRWDZBQOSA-N 2 2 362.474 0.443 10 0 FCAELP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cn1 ZINC000676098643 493524506 /nfs/dbraw/zinc/52/45/06/493524506.db2.gz TZAXQCUBUFJBPK-HNNXBMFYSA-N 2 2 359.434 0.443 10 0 FCAELP CO[C@@H](CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1)[C@H]1CCOC1 ZINC000662617893 493528394 /nfs/dbraw/zinc/52/83/94/493528394.db2.gz WDGHMFPHTDAZCG-WDSOQIARSA-N 2 2 372.469 0.969 10 0 FCAELP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2cc(C(C)(C)[NH3+])no2)CC1 ZINC000662671313 493531127 /nfs/dbraw/zinc/53/11/27/493531127.db2.gz MZDKWDMTMWWNDJ-UHFFFAOYSA-N 2 2 370.417 0.508 10 0 FCAELP CCN1CC[C@@H](NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1=O ZINC000670044814 493543041 /nfs/dbraw/zinc/54/30/41/493543041.db2.gz FWLKMPVBSORRPJ-MRXNPFEDSA-N 2 2 365.522 0.857 10 0 FCAELP CCN1CC[C@@H](NC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000670190795 493551854 /nfs/dbraw/zinc/55/18/54/493551854.db2.gz VBKMLLIUNKMHLI-JKSUJKDBSA-N 2 2 351.495 0.417 10 0 FCAELP CCN1CC[C@@H](NC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000670190795 493551856 /nfs/dbraw/zinc/55/18/56/493551856.db2.gz VBKMLLIUNKMHLI-JKSUJKDBSA-N 2 2 351.495 0.417 10 0 FCAELP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662922431 493554026 /nfs/dbraw/zinc/55/40/26/493554026.db2.gz ACHDMKGIPODBLN-UHFFFAOYSA-N 2 2 351.472 0.504 10 0 FCAELP CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662942203 493557577 /nfs/dbraw/zinc/55/75/77/493557577.db2.gz GEYDFQAEUJUESI-ZIAGYGMSSA-N 2 2 353.442 0.582 10 0 FCAELP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)C1 ZINC000662944840 493558583 /nfs/dbraw/zinc/55/85/83/493558583.db2.gz VBBFCQBRVBBSRT-SJORKVTESA-N 2 2 373.501 0.974 10 0 FCAELP 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C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000419714463 536368595 /nfs/dbraw/zinc/36/85/95/536368595.db2.gz UAIGXMPRVWRJJW-CQSZACIVSA-N 2 2 364.877 0.635 10 0 FCAELP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000419714463 536368598 /nfs/dbraw/zinc/36/85/98/536368598.db2.gz UAIGXMPRVWRJJW-CQSZACIVSA-N 2 2 364.877 0.635 10 0 FCAELP COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000594820342 546834988 /nfs/dbraw/zinc/83/49/88/546834988.db2.gz CBJCAZXMOONUKH-HUUCEWRRSA-N 2 2 363.524 0.521 10 0 FCAELP COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000594820342 546834994 /nfs/dbraw/zinc/83/49/94/546834994.db2.gz CBJCAZXMOONUKH-HUUCEWRRSA-N 2 2 363.524 0.521 10 0 FCAELP COC(=O)c1cccc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000594821863 546836437 /nfs/dbraw/zinc/83/64/37/546836437.db2.gz PCZZOCOEFGDRQP-UHFFFAOYSA-N 2 2 357.476 0.635 10 0 FCAELP COC(=O)c1cccc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000594821863 546836441 /nfs/dbraw/zinc/83/64/41/546836441.db2.gz PCZZOCOEFGDRQP-UHFFFAOYSA-N 2 2 357.476 0.635 10 0 FCAELP CCC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CC(=O)N(C)C1=O ZINC000548925605 547065288 /nfs/dbraw/zinc/06/52/88/547065288.db2.gz NLYGUJXZJSGVQN-OAHLLOKOSA-N 2 2 350.463 0.199 10 0 FCAELP CN(Cc1ccns1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000897721235 665765910 /nfs/dbraw/zinc/76/59/10/665765910.db2.gz LXLCGQIZTMUPLY-CYBMUJFWSA-N 2 2 365.503 0.386 10 0 FCAELP CN(Cc1ccns1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000897721235 665765914 /nfs/dbraw/zinc/76/59/14/665765914.db2.gz LXLCGQIZTMUPLY-CYBMUJFWSA-N 2 2 365.503 0.386 10 0 FCAELP CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CCC1 ZINC000925815032 664833142 /nfs/dbraw/zinc/83/31/42/664833142.db2.gz SKPWHNDRQYPRDP-CABCVRRESA-N 2 2 359.536 0.984 10 0 FCAELP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[NH+]3CCSC[C@H]23)[C@@H](C)C1 ZINC000925159878 665175191 /nfs/dbraw/zinc/17/51/91/665175191.db2.gz JLQZUCSKPNZSEC-CAOSSQGBSA-N 2 2 356.536 0.663 10 0 FCAELP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCC[NH+]3CCSC[C@H]23)[C@@H](C)C1 ZINC000925159878 665175192 /nfs/dbraw/zinc/17/51/92/665175192.db2.gz JLQZUCSKPNZSEC-CAOSSQGBSA-N 2 2 356.536 0.663 10 0 FCAELP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)[C@@H](C)C1 ZINC000925159878 665175194 /nfs/dbraw/zinc/17/51/94/665175194.db2.gz JLQZUCSKPNZSEC-CAOSSQGBSA-N 2 2 356.536 0.663 10 0 FCAELP [NH3+][C@H](CCNS(=O)(=O)CCC[NH+]1CCOCC1)Cc1ccccc1 ZINC000905358422 666018816 /nfs/dbraw/zinc/01/88/16/666018816.db2.gz FCJOIHRJHQGIIY-QGZVFWFLSA-N 2 2 355.504 0.588 10 0 FCAELP C/C(=C\C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)C[NH+]1CCOCC1 ZINC000908036996 666180067 /nfs/dbraw/zinc/18/00/67/666180067.db2.gz SWOXRZHHQOQIEM-VJSYINPZSA-N 2 2 351.491 0.836 10 0 FCAELP COC(=O)c1cn(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)nn1 ZINC000183522953 666671334 /nfs/dbraw/zinc/67/13/34/666671334.db2.gz NUUDKZMARBCACR-UHFFFAOYSA-N 2 2 351.451 0.847 10 0 FCAELP C[NH+]1CCN(C(C)(C)CNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000913997175 666679882 /nfs/dbraw/zinc/67/98/82/666679882.db2.gz IZBPWORDDDOMJU-JKSUJKDBSA-N 2 2 369.579 0.891 10 0 FCAELP C[NH+]1CCN(C(C)(C)CNC(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000913997175 666679885 /nfs/dbraw/zinc/67/98/85/666679885.db2.gz IZBPWORDDDOMJU-JKSUJKDBSA-N 2 2 369.579 0.891 10 0 FCAELP CN1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000913997175 666679890 /nfs/dbraw/zinc/67/98/90/666679890.db2.gz IZBPWORDDDOMJU-JKSUJKDBSA-N 2 2 369.579 0.891 10 0 FCAELP CN1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000913997175 666679892 /nfs/dbraw/zinc/67/98/92/666679892.db2.gz IZBPWORDDDOMJU-JKSUJKDBSA-N 2 2 369.579 0.891 10 0 FCAELP C[NH+]1CCN(CCCS(=O)(=O)N2CC[N@H+](C)[C@H](C(C)(C)C)C2)CC1 ZINC000919603458 667189162 /nfs/dbraw/zinc/18/91/62/667189162.db2.gz CPIPQBZDPHQHQL-INIZCTEOSA-N 2 2 360.568 0.616 10 0 FCAELP C[NH+]1CCN(CCCS(=O)(=O)N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)CC1 ZINC000919603458 667189165 /nfs/dbraw/zinc/18/91/65/667189165.db2.gz CPIPQBZDPHQHQL-INIZCTEOSA-N 2 2 360.568 0.616 10 0 FCAELP O=C(CN1CCC[C@H]([NH2+]CCO)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000923405143 667832147 /nfs/dbraw/zinc/83/21/47/667832147.db2.gz BYUXXCQPOHYVKR-KRWDZBQOSA-N 2 2 366.531 0.439 10 0 FCAELP CCCCN(C(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000923504013 667842139 /nfs/dbraw/zinc/84/21/39/667842139.db2.gz NXGOGPKXJQAOID-OAGGEKHMSA-N 2 2 359.536 0.719 10 0 FCAELP CCCCN(C(=O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000923504013 667842141 /nfs/dbraw/zinc/84/21/41/667842141.db2.gz NXGOGPKXJQAOID-OAGGEKHMSA-N 2 2 359.536 0.719 10 0 FCAELP C[C@H](CNS(=O)(=O)[C@@H]1CCC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000923589350 667852852 /nfs/dbraw/zinc/85/28/52/667852852.db2.gz FZBQIEJEFLATRU-SJLPKXTDSA-N 2 2 366.531 0.869 10 0 FCAELP O[C@@H](C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(F)ccc1F ZINC000819077433 668976966 /nfs/dbraw/zinc/97/69/66/668976966.db2.gz KTJJFVHGCFMYPW-YJBOKZPZSA-N 2 2 355.429 0.994 10 0 FCAELP [NH3+]CCCCCCNC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000843261558 670790143 /nfs/dbraw/zinc/79/01/43/670790143.db2.gz MHKUSDUQKGSBCD-INIZCTEOSA-N 2 2 354.495 0.335 10 0 FCAELP CCOC(=O)N1CCC(NC(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000843383426 670811140 /nfs/dbraw/zinc/81/11/40/670811140.db2.gz VUCBRNBKTJOEPB-GOSISDBHSA-N 2 2 352.479 0.799 10 0 FCAELP CCOC(=O)N1CCC(NC(=O)C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000843383426 670811148 /nfs/dbraw/zinc/81/11/48/670811148.db2.gz VUCBRNBKTJOEPB-GOSISDBHSA-N 2 2 352.479 0.799 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)COCC(=O)OC(C)(C)C)C2)CC1 ZINC000843795184 670855593 /nfs/dbraw/zinc/85/55/93/670855593.db2.gz DSCWUMPQUQUUSH-AWEZNQCLSA-N 2 2 355.479 0.629 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)COCC(=O)OC(C)(C)C)C2)CC1 ZINC000843795184 670855603 /nfs/dbraw/zinc/85/56/03/670855603.db2.gz DSCWUMPQUQUUSH-AWEZNQCLSA-N 2 2 355.479 0.629 10 0 FCAELP C[NH+]1CCC(CNC(=O)CO[C@H]2CCC[NH2+]C2)([NH+]2CCCCC2)CC1 ZINC000844192285 670908840 /nfs/dbraw/zinc/90/88/40/670908840.db2.gz YLHZAXHJIYVRSZ-KRWDZBQOSA-N 3 2 352.523 0.822 10 0 FCAELP COC(=O)N(C)CC[N@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000852571896 671513835 /nfs/dbraw/zinc/51/38/35/671513835.db2.gz HZTIAKMIYWXHMP-HNNXBMFYSA-N 2 2 358.483 0.089 10 0 FCAELP COC(=O)N(C)CC[N@@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000852571896 671513838 /nfs/dbraw/zinc/51/38/38/671513838.db2.gz HZTIAKMIYWXHMP-HNNXBMFYSA-N 2 2 358.483 0.089 10 0 FCAELP COC(=O)N(C)CC[NH+](C)CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000852571896 671513839 /nfs/dbraw/zinc/51/38/39/671513839.db2.gz HZTIAKMIYWXHMP-HNNXBMFYSA-N 2 2 358.483 0.089 10 0 FCAELP COC(=O)N(C)CC[NH+](C)CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000852571896 671513841 /nfs/dbraw/zinc/51/38/41/671513841.db2.gz HZTIAKMIYWXHMP-HNNXBMFYSA-N 2 2 358.483 0.089 10 0 FCAELP CCS(=O)(=O)CC[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852764225 671524705 /nfs/dbraw/zinc/52/47/05/671524705.db2.gz HJOMNIKPRVHRBJ-AWEZNQCLSA-N 2 2 355.508 0.433 10 0 FCAELP CCS(=O)(=O)CC[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852764225 671524706 /nfs/dbraw/zinc/52/47/06/671524706.db2.gz HJOMNIKPRVHRBJ-AWEZNQCLSA-N 2 2 355.508 0.433 10 0 FCAELP CCN(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000853709395 671555236 /nfs/dbraw/zinc/55/52/36/671555236.db2.gz IIFJVOBXXPZUFU-MRXNPFEDSA-N 2 2 374.551 0.621 10 0 FCAELP CCN(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000853709395 671555238 /nfs/dbraw/zinc/55/52/38/671555238.db2.gz IIFJVOBXXPZUFU-MRXNPFEDSA-N 2 2 374.551 0.621 10 0 FCAELP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903757813 675968893 /nfs/dbraw/zinc/96/88/93/675968893.db2.gz BHTSXDOKHZSSGL-HBNTYKKESA-N 2 2 359.352 0.084 10 0 FCAELP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000867537349 672333418 /nfs/dbraw/zinc/33/34/18/672333418.db2.gz HWNQTLBOHFUJIP-STQMWFEESA-N 2 2 351.451 0.769 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)OC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C ZINC000869832661 672453539 /nfs/dbraw/zinc/45/35/39/672453539.db2.gz ZDBRUUJVXGTKBE-KBPBESRZSA-N 2 2 359.467 0.705 10 0 FCAELP CN(C)S(=O)(=O)Cc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000925805104 673804785 /nfs/dbraw/zinc/80/47/85/673804785.db2.gz QVQMVZOIHWBNMQ-ZWKOTPCHSA-N 2 2 367.515 0.935 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC000929566352 673964206 /nfs/dbraw/zinc/96/42/06/673964206.db2.gz AIKHFXWLSARTJA-UONOGXRCSA-N 2 2 365.503 0.564 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)n1 ZINC000929566352 673964208 /nfs/dbraw/zinc/96/42/08/673964208.db2.gz AIKHFXWLSARTJA-UONOGXRCSA-N 2 2 365.503 0.564 10 0 FCAELP C[C@H](CNC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1)[NH+]1CCCCC1 ZINC000929602075 673966802 /nfs/dbraw/zinc/96/68/02/673966802.db2.gz ZLNHYQCYKGRMLA-CYBMUJFWSA-N 2 2 367.519 0.812 10 0 FCAELP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000929953873 673987446 /nfs/dbraw/zinc/98/74/46/673987446.db2.gz FCIYEEXDTRYFJP-AWEZNQCLSA-N 2 2 367.519 0.812 10 0 FCAELP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000929953873 673987447 /nfs/dbraw/zinc/98/74/47/673987447.db2.gz FCIYEEXDTRYFJP-AWEZNQCLSA-N 2 2 367.519 0.812 10 0 FCAELP C[NH+](C)CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)[C@H]1CCS(=O)(=O)C1 ZINC000900967728 675735822 /nfs/dbraw/zinc/73/58/22/675735822.db2.gz OQKQXFPLOSARPE-PMPSAXMXSA-N 2 2 357.520 0.581 10 0 FCAELP C[NH+](C)CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)[C@H]1CCS(=O)(=O)C1 ZINC000900967728 675735823 /nfs/dbraw/zinc/73/58/23/675735823.db2.gz OQKQXFPLOSARPE-PMPSAXMXSA-N 2 2 357.520 0.581 10 0 FCAELP CC[C@H](CO)[NH+]1CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC000901147300 675764059 /nfs/dbraw/zinc/76/40/59/675764059.db2.gz PLQHBHMQGJAAIW-LXPRWKDFSA-N 2 2 353.507 0.793 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCCN2CC[NH+](Cc3conc3C)CC2)CC[N@@H+]1C ZINC001266285502 1167875258 /nfs/dbraw/zinc/87/52/58/1167875258.db2.gz BHTJYZWBPKJYGC-ZWKOTPCHSA-N 2 2 363.506 0.947 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCCN2CC[NH+](Cc3conc3C)CC2)CC[N@H+]1C ZINC001266285502 1167875262 /nfs/dbraw/zinc/87/52/62/1167875262.db2.gz BHTJYZWBPKJYGC-ZWKOTPCHSA-N 2 2 363.506 0.947 10 0 FCAELP O=C(NCCN1CC[NH+](C[C@@H]2CCCOC2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001266285499 1167875668 /nfs/dbraw/zinc/87/56/68/1167875668.db2.gz BGZZTLGKZFKBDO-GVDBMIGSSA-N 2 2 361.490 0.674 10 0 FCAELP O=C(NCCN1CC[NH+](C[C@@H]2CCCOC2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001266285499 1167875670 /nfs/dbraw/zinc/87/56/70/1167875670.db2.gz BGZZTLGKZFKBDO-GVDBMIGSSA-N 2 2 361.490 0.674 10 0 FCAELP Cc1nocc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001266957302 1171081722 /nfs/dbraw/zinc/08/17/22/1171081722.db2.gz YQMHRQIGBHFHDS-XYPHTWIQSA-N 2 2 366.462 0.457 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)CCN1c1cc[nH+]cc1 ZINC000898016314 1192854800 /nfs/dbraw/zinc/85/48/00/1192854800.db2.gz YGELEPMIYCRXSQ-CABCVRRESA-N 2 2 368.441 0.446 10 0 FCAELP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000898017366 1192854934 /nfs/dbraw/zinc/85/49/34/1192854934.db2.gz LRDQAUAMJIYSCG-HNNXBMFYSA-N 2 2 359.474 0.791 10 0 FCAELP CN(CC[NH2+]CC[C@H]1CCCO1)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001267407835 1180480965 /nfs/dbraw/zinc/48/09/65/1180480965.db2.gz SMLRLPXJADPFPE-KURKYZTESA-N 2 2 369.506 0.483 10 0 FCAELP Cc1cc(NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)no1 ZINC001267429838 1180539163 /nfs/dbraw/zinc/53/91/63/1180539163.db2.gz GPHFOJRWXJQKIL-CHWSQXEVSA-N 2 2 360.418 0.507 10 0 FCAELP CCCn1nnnc1C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001267531061 1181638401 /nfs/dbraw/zinc/63/84/01/1181638401.db2.gz LAOXLZDNAPNTLO-BZUAXINKSA-N 2 2 363.510 0.752 10 0 FCAELP CCCn1nnnc1C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001267531061 1181638415 /nfs/dbraw/zinc/63/84/15/1181638415.db2.gz LAOXLZDNAPNTLO-BZUAXINKSA-N 2 2 363.510 0.752 10 0 FCAELP CCCn1nnnc1C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001267531061 1181638431 /nfs/dbraw/zinc/63/84/31/1181638431.db2.gz LAOXLZDNAPNTLO-BZUAXINKSA-N 2 2 363.510 0.752 10 0 FCAELP CCCn1nnnc1C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001267531061 1181638442 /nfs/dbraw/zinc/63/84/42/1181638442.db2.gz LAOXLZDNAPNTLO-BZUAXINKSA-N 2 2 363.510 0.752 10 0 FCAELP CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001267542113 1181725911 /nfs/dbraw/zinc/72/59/11/1181725911.db2.gz OZGISMXQWAIWQE-RBSFLKMASA-N 2 2 364.494 0.262 10 0 FCAELP CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001267542113 1181725915 /nfs/dbraw/zinc/72/59/15/1181725915.db2.gz OZGISMXQWAIWQE-RBSFLKMASA-N 2 2 364.494 0.262 10 0 FCAELP CCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001267542113 1181725922 /nfs/dbraw/zinc/72/59/22/1181725922.db2.gz OZGISMXQWAIWQE-RBSFLKMASA-N 2 2 364.494 0.262 10 0 FCAELP CCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001267542113 1181725928 /nfs/dbraw/zinc/72/59/28/1181725928.db2.gz OZGISMXQWAIWQE-RBSFLKMASA-N 2 2 364.494 0.262 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[C@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001267576256 1181905742 /nfs/dbraw/zinc/90/57/42/1181905742.db2.gz PIGCEXTXARFNLJ-NUEKZKHPSA-N 2 2 357.462 0.681 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[C@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001267576256 1181905746 /nfs/dbraw/zinc/90/57/46/1181905746.db2.gz PIGCEXTXARFNLJ-NUEKZKHPSA-N 2 2 357.462 0.681 10 0 FCAELP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001745413842 1186161492 /nfs/dbraw/zinc/16/14/92/1186161492.db2.gz TYJWZKBLOCRIJT-ARFHVFGLSA-N 2 2 361.490 0.971 10 0 FCAELP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001745413842 1186161495 /nfs/dbraw/zinc/16/14/95/1186161495.db2.gz TYJWZKBLOCRIJT-ARFHVFGLSA-N 2 2 361.490 0.971 10 0 FCAELP C[NH+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3c[nH+]cn3C1)C2 ZINC001719837781 1186204952 /nfs/dbraw/zinc/20/49/52/1186204952.db2.gz AZABPZTUUYNMEL-FSDCSDTHSA-N 2 2 359.474 0.645 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCCCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000549889230 1187582151 /nfs/dbraw/zinc/58/21/51/1187582151.db2.gz UKNYTQLBMTYTAG-IRXDYDNUSA-N 2 2 355.442 0.951 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)NCCCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000549889230 1187582155 /nfs/dbraw/zinc/58/21/55/1187582155.db2.gz UKNYTQLBMTYTAG-IRXDYDNUSA-N 2 2 355.442 0.951 10 0 FCAELP Cc1cc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)on1 ZINC001268696893 1187762212 /nfs/dbraw/zinc/76/22/12/1187762212.db2.gz ZWYHLSGJOIYDRJ-UXLLHSPISA-N 2 2 366.462 0.457 10 0 FCAELP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001719861843 1188134283 /nfs/dbraw/zinc/13/42/83/1188134283.db2.gz RYBHDUYRWDKCMC-IKGGRYGDSA-N 2 2 373.501 0.962 10 0 FCAELP COCCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001270519845 1188184309 /nfs/dbraw/zinc/18/43/09/1188184309.db2.gz IZIQKBCZKJTACY-GVDBMIGSSA-N 2 2 361.490 0.768 10 0 FCAELP COCCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001270519845 1188184320 /nfs/dbraw/zinc/18/43/20/1188184320.db2.gz IZIQKBCZKJTACY-GVDBMIGSSA-N 2 2 361.490 0.768 10 0 FCAELP COCCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001270519845 1188184328 /nfs/dbraw/zinc/18/43/28/1188184328.db2.gz IZIQKBCZKJTACY-GVDBMIGSSA-N 2 2 361.490 0.768 10 0 FCAELP COCCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001270519845 1188184339 /nfs/dbraw/zinc/18/43/39/1188184339.db2.gz IZIQKBCZKJTACY-GVDBMIGSSA-N 2 2 361.490 0.768 10 0 FCAELP Cc1ncoc1C[NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000894560684 1188231749 /nfs/dbraw/zinc/23/17/49/1188231749.db2.gz VJBVGMBEYPFBBL-HNNXBMFYSA-N 2 2 372.473 0.919 10 0 FCAELP CNC(=O)NC(=O)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001482386685 1188391155 /nfs/dbraw/zinc/39/11/55/1188391155.db2.gz ILIBLQIRJDWUQV-YNEHKIRRSA-N 2 2 364.450 0.089 10 0 FCAELP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896439575 1190060061 /nfs/dbraw/zinc/06/00/61/1190060061.db2.gz HUERPZHQHSBZPL-WMZOPIPTSA-N 2 2 373.501 0.429 10 0 FCAELP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896439573 1190060317 /nfs/dbraw/zinc/06/03/17/1190060317.db2.gz HUERPZHQHSBZPL-FUHWJXTLSA-N 2 2 373.501 0.429 10 0 FCAELP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000897468345 1191200840 /nfs/dbraw/zinc/20/08/40/1191200840.db2.gz PFIPADAOUKLSCZ-SFHVURJKSA-N 2 2 373.501 0.135 10 0 FCAELP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000897468345 1191200842 /nfs/dbraw/zinc/20/08/42/1191200842.db2.gz PFIPADAOUKLSCZ-SFHVURJKSA-N 2 2 373.501 0.135 10 0 FCAELP O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000550784205 1193791975 /nfs/dbraw/zinc/79/19/75/1193791975.db2.gz RFFVPIBJGGTPJP-UHFFFAOYSA-N 2 2 366.506 0.302 10 0 FCAELP CN(C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000551281970 1193848354 /nfs/dbraw/zinc/84/83/54/1193848354.db2.gz NJELICGSASKCQO-KRWDZBQOSA-N 2 2 371.485 0.862 10 0 FCAELP CN(C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000551281970 1193848355 /nfs/dbraw/zinc/84/83/55/1193848355.db2.gz NJELICGSASKCQO-KRWDZBQOSA-N 2 2 371.485 0.862 10 0 FCAELP CC(C)N1CC[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1=O ZINC001483062295 1193857652 /nfs/dbraw/zinc/85/76/52/1193857652.db2.gz NEDYQYLGURDXBU-XWYFBGFKSA-N 2 2 359.474 0.795 10 0 FCAELP COCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000552743388 1193949454 /nfs/dbraw/zinc/94/94/54/1193949454.db2.gz DJBUUKJXQQLESM-UHFFFAOYSA-N 2 2 359.430 0.890 10 0 FCAELP O=C(NCCCC[NH+]1CCOCC1)c1cccn1CC[NH+]1CCOCC1 ZINC000906215932 1195616890 /nfs/dbraw/zinc/61/68/90/1195616890.db2.gz WFIOSGOSDGBCTM-UHFFFAOYSA-N 2 2 364.490 0.663 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CC(c4ccccn4)=NO3)C2)CC1 ZINC000906659240 1195645883 /nfs/dbraw/zinc/64/58/83/1195645883.db2.gz AAEYMGOFFYPADB-KSSFIOAISA-N 2 2 357.458 0.859 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CC(c4ccccn4)=NO3)C2)CC1 ZINC000906659240 1195645885 /nfs/dbraw/zinc/64/58/85/1195645885.db2.gz AAEYMGOFFYPADB-KSSFIOAISA-N 2 2 357.458 0.859 10 0 FCAELP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NC[C@@H]1C[NH+](C)CCN1Cc1ccccc1 ZINC000912723376 1196360639 /nfs/dbraw/zinc/36/06/39/1196360639.db2.gz DILZETFITHZFMX-WSTZPKSXSA-N 2 2 360.502 0.374 10 0 FCAELP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NC[C@@H]1C[NH+](C)CCN1Cc1ccccc1 ZINC000912723376 1196360644 /nfs/dbraw/zinc/36/06/44/1196360644.db2.gz DILZETFITHZFMX-WSTZPKSXSA-N 2 2 360.502 0.374 10 0 FCAELP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912913325 1196383470 /nfs/dbraw/zinc/38/34/70/1196383470.db2.gz JAVLTXBPYKEVDJ-QGZVFWFLSA-N 2 2 371.485 0.817 10 0 FCAELP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000828635853 1197939991 /nfs/dbraw/zinc/93/99/91/1197939991.db2.gz KXBRXMIRCQFWKB-MJGOQNOKSA-N 2 2 364.465 0.519 10 0 FCAELP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000828635853 1197940001 /nfs/dbraw/zinc/94/00/01/1197940001.db2.gz KXBRXMIRCQFWKB-MJGOQNOKSA-N 2 2 364.465 0.519 10 0 FCAELP CCN(CC[NH2+]CC(=O)NC1CCOCC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001273434049 1198983833 /nfs/dbraw/zinc/98/38/33/1198983833.db2.gz KDLFRANUYBFVNI-HUUCEWRRSA-N 2 2 363.462 0.247 10 0 FCAELP COc1c[nH+]ccc1N1CCN(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000792955816 1201220826 /nfs/dbraw/zinc/22/08/26/1201220826.db2.gz JBVUYWVMLRZDRC-OAHLLOKOSA-N 2 2 363.462 0.643 10 0 FCAELP COc1c[nH+]ccc1N1CCN(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000792955816 1201220831 /nfs/dbraw/zinc/22/08/31/1201220831.db2.gz JBVUYWVMLRZDRC-OAHLLOKOSA-N 2 2 363.462 0.643 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC3(CC2)OCCCO3)C1 ZINC000815155148 1203030749 /nfs/dbraw/zinc/03/07/49/1203030749.db2.gz MZWVPMLCHIOHIB-KRWDZBQOSA-N 2 2 369.506 0.688 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC3(CC2)OCCCO3)C1 ZINC000815155148 1203030754 /nfs/dbraw/zinc/03/07/54/1203030754.db2.gz MZWVPMLCHIOHIB-KRWDZBQOSA-N 2 2 369.506 0.688 10 0 FCAELP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cn1 ZINC000815703555 1203048310 /nfs/dbraw/zinc/04/83/10/1203048310.db2.gz HYAGIVMJNQXZMM-DZGCQCFKSA-N 2 2 354.414 0.677 10 0 FCAELP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cn1 ZINC000815703555 1203048312 /nfs/dbraw/zinc/04/83/12/1203048312.db2.gz HYAGIVMJNQXZMM-DZGCQCFKSA-N 2 2 354.414 0.677 10 0 FCAELP O=C(C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000817955166 1203128419 /nfs/dbraw/zinc/12/84/19/1203128419.db2.gz RNUDRVCQOAEKFE-VQIMIIECSA-N 2 2 364.490 0.054 10 0 FCAELP CN(C[C@H](O)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C(=O)OC(C)(C)C ZINC000822751116 1203235756 /nfs/dbraw/zinc/23/57/56/1203235756.db2.gz SWFBTSCUNNLUIN-SJORKVTESA-N 2 2 370.538 0.926 10 0 FCAELP CN(C[C@H](O)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C(=O)OC(C)(C)C ZINC000822751116 1203235761 /nfs/dbraw/zinc/23/57/61/1203235761.db2.gz SWFBTSCUNNLUIN-SJORKVTESA-N 2 2 370.538 0.926 10 0 FCAELP COC(=O)CC[C@H]([NH3+])c1nc(-c2ccc(N3CC[NH+](C)CC3)nc2)no1 ZINC000822916052 1203239690 /nfs/dbraw/zinc/23/96/90/1203239690.db2.gz VWIPLCZYWXZXJR-ZDUSSCGKSA-N 2 2 360.418 0.836 10 0 FCAELP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001147765175 1204806554 /nfs/dbraw/zinc/80/65/54/1204806554.db2.gz RYKWKTMWZUODOD-BRWVUGGUSA-N 2 2 366.506 0.156 10 0 FCAELP CCn1ncc(C[NH2+][C@@]2(CO)CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001273875168 1208442947 /nfs/dbraw/zinc/44/29/47/1208442947.db2.gz CFWHZHDRYPKGRV-KYJSFNMBSA-N 2 2 364.494 0.081 10 0 FCAELP CCn1ncc(C[NH2+][C@@]2(CO)CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001273875168 1208442949 /nfs/dbraw/zinc/44/29/49/1208442949.db2.gz CFWHZHDRYPKGRV-KYJSFNMBSA-N 2 2 364.494 0.081 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1CC(=O)N1CCOCC1 ZINC001489126929 1208633734 /nfs/dbraw/zinc/63/37/34/1208633734.db2.gz PYNWJQVACLKHCM-JKSUJKDBSA-N 2 2 363.462 0.101 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1CC(=O)N1CCOCC1 ZINC001489126929 1208633741 /nfs/dbraw/zinc/63/37/41/1208633741.db2.gz PYNWJQVACLKHCM-JKSUJKDBSA-N 2 2 363.462 0.101 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@@H+]1CCCS(C)(=O)=O ZINC001489299005 1208730902 /nfs/dbraw/zinc/73/09/02/1208730902.db2.gz WQLLQZMBAHRRFK-CVEARBPZSA-N 2 2 359.536 0.732 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1CCCS(C)(=O)=O ZINC001489299005 1208730905 /nfs/dbraw/zinc/73/09/05/1208730905.db2.gz WQLLQZMBAHRRFK-CVEARBPZSA-N 2 2 359.536 0.732 10 0 FCAELP CC(C)NC(=O)NCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001489301862 1208734776 /nfs/dbraw/zinc/73/47/76/1208734776.db2.gz WEGFEERIESXCIG-HIFRSBDPSA-N 2 2 350.467 0.249 10 0 FCAELP CC(C)NC(=O)NCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001489301862 1208734780 /nfs/dbraw/zinc/73/47/80/1208734780.db2.gz WEGFEERIESXCIG-HIFRSBDPSA-N 2 2 350.467 0.249 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC(=O)NCc1ccccc1 ZINC001489310175 1208745654 /nfs/dbraw/zinc/74/56/54/1208745654.db2.gz YLVQLSFQMVDCCY-AEFFLSMTSA-N 2 2 358.486 0.978 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC(=O)NCc1ccccc1 ZINC001489310175 1208745659 /nfs/dbraw/zinc/74/56/59/1208745659.db2.gz YLVQLSFQMVDCCY-AEFFLSMTSA-N 2 2 358.486 0.978 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)CCc2c[nH+]cn2C)CCN1C(=O)C[NH+]1CCCC1 ZINC001490011316 1209188714 /nfs/dbraw/zinc/18/87/14/1209188714.db2.gz YHSDSDVPECIGBH-DLBZAZTESA-N 2 2 361.490 0.944 10 0 FCAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001490340666 1209325617 /nfs/dbraw/zinc/32/56/17/1209325617.db2.gz JFQZSVYQVDRAJE-CZUORRHYSA-N 2 2 361.490 0.813 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccnn1C1CCCC1 ZINC000850596851 1209461475 /nfs/dbraw/zinc/46/14/75/1209461475.db2.gz XFMSVOLMSYYWEC-UHFFFAOYSA-N 2 2 364.494 0.936 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccnn1C1CCCC1 ZINC000850596851 1209461478 /nfs/dbraw/zinc/46/14/78/1209461478.db2.gz XFMSVOLMSYYWEC-UHFFFAOYSA-N 2 2 364.494 0.936 10 0 FCAELP COC(=O)N(C)CCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000852661178 1209558888 /nfs/dbraw/zinc/55/88/88/1209558888.db2.gz OYSLEESPQMJTGY-UHFFFAOYSA-N 2 2 369.510 0.934 10 0 FCAELP O=C(C=C1CC[NH2+]CC1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000852863788 1209568185 /nfs/dbraw/zinc/56/81/85/1209568185.db2.gz IMTLEMOUGBAJMS-UHFFFAOYSA-N 2 2 357.458 0.546 10 0 FCAELP C[NH+]1CCC(CNC(=O)/C=C\CN2CCOCC2)([NH+]2CCCCC2)CC1 ZINC000866116199 1209991738 /nfs/dbraw/zinc/99/17/38/1209991738.db2.gz JKALBZPWSYUSOD-WAYWQWQTSA-N 2 2 364.534 0.941 10 0 FCAELP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000867510242 1210010139 /nfs/dbraw/zinc/01/01/39/1210010139.db2.gz IAQQLPBKQVVROS-IRXDYDNUSA-N 2 2 366.506 0.108 10 0 FCAELP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000867510242 1210010146 /nfs/dbraw/zinc/01/01/46/1210010146.db2.gz IAQQLPBKQVVROS-IRXDYDNUSA-N 2 2 366.506 0.108 10 0 FCAELP C[N@@H+]1CCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1(C)C ZINC000867744170 1210027617 /nfs/dbraw/zinc/02/76/17/1210027617.db2.gz PWRQIBXIJBAODT-UHFFFAOYSA-N 2 2 359.474 0.673 10 0 FCAELP C[N@H+]1CCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1(C)C ZINC000867744170 1210027622 /nfs/dbraw/zinc/02/76/22/1210027622.db2.gz PWRQIBXIJBAODT-UHFFFAOYSA-N 2 2 359.474 0.673 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C ZINC000867930461 1210037028 /nfs/dbraw/zinc/03/70/28/1210037028.db2.gz AUVFQZMVWWBABK-CABCVRRESA-N 2 2 372.510 0.620 10 0 FCAELP CN(C)c1[nH+]cnc2c1cc(C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)n2C ZINC000869778767 1210094990 /nfs/dbraw/zinc/09/49/90/1210094990.db2.gz JKPFTURMBQOOGQ-LBPRGKRZSA-N 2 2 360.462 0.609 10 0 FCAELP CN(C)c1[nH+]cnc2c1cc(C(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)n2C ZINC000869778767 1210094995 /nfs/dbraw/zinc/09/49/95/1210094995.db2.gz JKPFTURMBQOOGQ-LBPRGKRZSA-N 2 2 360.462 0.609 10 0 FCAELP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000869832369 1210096757 /nfs/dbraw/zinc/09/67/57/1210096757.db2.gz NYDITTCFGCXMJY-ZNMIVQPWSA-N 2 2 371.478 0.848 10 0 FCAELP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000869832369 1210096761 /nfs/dbraw/zinc/09/67/61/1210096761.db2.gz NYDITTCFGCXMJY-ZNMIVQPWSA-N 2 2 371.478 0.848 10 0 FCAELP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C[C@@H]1C(F)(F)F ZINC000872188448 1210176298 /nfs/dbraw/zinc/17/62/98/1210176298.db2.gz VYGWMJJKHCLZDD-UTUOFQBUSA-N 2 2 373.379 0.711 10 0 FCAELP C[NH+]1CCC(CN2C(=O)[C@@H]3[C@@H](O)CCCN3C2=O)([NH+]2CCCCC2)CC1 ZINC000925328497 1211495995 /nfs/dbraw/zinc/49/59/95/1211495995.db2.gz YLTPXAVTOYGAOR-HOTGVXAUSA-N 2 2 364.490 0.724 10 0 FCAELP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)C[C@H](C)O1 ZINC000926343130 1211535161 /nfs/dbraw/zinc/53/51/61/1211535161.db2.gz WCDPXDZMQNAXTO-FCEWJHQRSA-N 2 2 366.506 0.299 10 0 FCAELP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)C[C@H](C)O1 ZINC000926343130 1211535168 /nfs/dbraw/zinc/53/51/68/1211535168.db2.gz WCDPXDZMQNAXTO-FCEWJHQRSA-N 2 2 366.506 0.299 10 0 FCAELP C[C@H](c1cccc(NC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)c1)[NH+]1CCOCC1 ZINC000927811829 1211582493 /nfs/dbraw/zinc/58/24/93/1211582493.db2.gz GVXZSRUPNMFFLC-CKEIUWERSA-N 2 2 360.458 0.742 10 0 FCAELP C[NH+]1CC[C@@H]1CNC(=O)[C@@]1(c2ccccc2)C[C@H]1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928572027 1211605304 /nfs/dbraw/zinc/60/53/04/1211605304.db2.gz UVGUDWKGGMSNPR-TWFHAPMSSA-N 2 2 370.497 0.585 10 0 FCAELP C[NH+]1CC[C@@H]1CNC(=O)[C@@]1(c2ccccc2)C[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928572027 1211605305 /nfs/dbraw/zinc/60/53/05/1211605305.db2.gz UVGUDWKGGMSNPR-TWFHAPMSSA-N 2 2 370.497 0.585 10 0 FCAELP C[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[C@@]1(C(=O)NC[C@H]1CC[N@@H+]1C)c1ccccc1 ZINC000928572027 1211605306 /nfs/dbraw/zinc/60/53/06/1211605306.db2.gz UVGUDWKGGMSNPR-TWFHAPMSSA-N 2 2 370.497 0.585 10 0 FCAELP C[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[C@@]1(C(=O)NC[C@H]1CC[N@H+]1C)c1ccccc1 ZINC000928572027 1211605308 /nfs/dbraw/zinc/60/53/08/1211605308.db2.gz UVGUDWKGGMSNPR-TWFHAPMSSA-N 2 2 370.497 0.585 10 0 FCAELP Cc1cc(N2CC[NH+](C[C@H](O)C3(O)CCOCC3)CC2)nc(C(C)C)[nH+]1 ZINC000929240528 1211624871 /nfs/dbraw/zinc/62/48/71/1211624871.db2.gz LTIIJLRLHZBEAJ-INIZCTEOSA-N 2 2 364.490 0.933 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@]3(C)CCCCO3)C2)CC1 ZINC000930173696 1211693671 /nfs/dbraw/zinc/69/36/71/1211693671.db2.gz LDYJKTSXQJSRMI-KXBFYZLASA-N 2 2 366.506 0.347 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@]3(C)CCCCO3)C2)CC1 ZINC000930173696 1211693673 /nfs/dbraw/zinc/69/36/73/1211693673.db2.gz LDYJKTSXQJSRMI-KXBFYZLASA-N 2 2 366.506 0.347 10 0 FCAELP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935532283 1211880164 /nfs/dbraw/zinc/88/01/64/1211880164.db2.gz BWGHEEFTAVIXGM-ZACQAIPSSA-N 2 2 369.506 0.170 10 0 FCAELP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935532283 1211880166 /nfs/dbraw/zinc/88/01/66/1211880166.db2.gz BWGHEEFTAVIXGM-ZACQAIPSSA-N 2 2 369.506 0.170 10 0 FCAELP CC[N@H+](C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001490839701 1211946882 /nfs/dbraw/zinc/94/68/82/1211946882.db2.gz SURWVZJAOBTVIP-BMFZPTHFSA-N 2 2 361.490 0.941 10 0 FCAELP CC[N@@H+](C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001490839701 1211946887 /nfs/dbraw/zinc/94/68/87/1211946887.db2.gz SURWVZJAOBTVIP-BMFZPTHFSA-N 2 2 361.490 0.941 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)C[C@H]1CC[NH3+] ZINC000903772219 1218521230 /nfs/dbraw/zinc/52/12/30/1218521230.db2.gz XLMYOMGOYRZFHS-BHIYHBOVSA-N 2 2 372.513 0.815 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)C[C@H]1CC[NH3+] ZINC000903772219 1218521238 /nfs/dbraw/zinc/52/12/38/1218521238.db2.gz XLMYOMGOYRZFHS-BHIYHBOVSA-N 2 2 372.513 0.815 10 0 FCAELP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000804050671 1219102492 /nfs/dbraw/zinc/10/24/92/1219102492.db2.gz KZIXPZUWQPVJGG-CABCVRRESA-N 2 2 361.446 0.095 10 0 FCAELP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000804050671 1219102496 /nfs/dbraw/zinc/10/24/96/1219102496.db2.gz KZIXPZUWQPVJGG-CABCVRRESA-N 2 2 361.446 0.095 10 0 FCAELP Cc1ccc(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)c(N(C)C)[nH+]1 ZINC000750213707 1219882036 /nfs/dbraw/zinc/88/20/36/1219882036.db2.gz BQXDIYRGXHSCOW-UHFFFAOYSA-N 2 2 363.462 0.623 10 0 FCAELP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC001117021818 1221435167 /nfs/dbraw/zinc/43/51/67/1221435167.db2.gz CWBPMSMLGXOMAY-OAHLLOKOSA-N 2 2 365.478 0.172 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC001117365120 1221533639 /nfs/dbraw/zinc/53/36/39/1221533639.db2.gz JHBDJBWMWHRIEO-QXAKKESOSA-N 2 2 370.497 0.943 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC001117365120 1221533645 /nfs/dbraw/zinc/53/36/45/1221533645.db2.gz JHBDJBWMWHRIEO-QXAKKESOSA-N 2 2 370.497 0.943 10 0 FCAELP CC(C)n1cnc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC001118307492 1221755637 /nfs/dbraw/zinc/75/56/37/1221755637.db2.gz IJNPDCKODCUCAV-ZDUSSCGKSA-N 2 2 363.466 0.082 10 0 FCAELP CC(C)n1cnc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC001118307492 1221755640 /nfs/dbraw/zinc/75/56/40/1221755640.db2.gz IJNPDCKODCUCAV-ZDUSSCGKSA-N 2 2 363.466 0.082 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001118888567 1221840726 /nfs/dbraw/zinc/84/07/26/1221840726.db2.gz TURPHSGVQRCFJY-OAHLLOKOSA-N 2 2 364.494 0.413 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001118888567 1221840727 /nfs/dbraw/zinc/84/07/27/1221840727.db2.gz TURPHSGVQRCFJY-OAHLLOKOSA-N 2 2 364.494 0.413 10 0 FCAELP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)cn1 ZINC001119595897 1221938728 /nfs/dbraw/zinc/93/87/28/1221938728.db2.gz HLSJZWUVSPKNLB-BBWFWOEESA-N 2 2 357.462 0.352 10 0 FCAELP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)cn1 ZINC001119595897 1221938731 /nfs/dbraw/zinc/93/87/31/1221938731.db2.gz HLSJZWUVSPKNLB-BBWFWOEESA-N 2 2 357.462 0.352 10 0 FCAELP C[C@@H]1CCOCCN1C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001119662230 1221947002 /nfs/dbraw/zinc/94/70/02/1221947002.db2.gz LXBTWZWSDOVGHB-OAHLLOKOSA-N 2 2 366.506 0.299 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1COC2(CCC2)C1 ZINC000830085973 1222462627 /nfs/dbraw/zinc/46/26/27/1222462627.db2.gz NDPVUQXLZOCQIL-HNNXBMFYSA-N 2 2 366.506 0.299 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1COC2(CCC2)C1 ZINC000830085973 1222462630 /nfs/dbraw/zinc/46/26/30/1222462630.db2.gz NDPVUQXLZOCQIL-HNNXBMFYSA-N 2 2 366.506 0.299 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](OC(=O)N(C)C)C2)C1 ZINC000830486942 1222475062 /nfs/dbraw/zinc/47/50/62/1222475062.db2.gz LABIDNKTBJAGFD-HZPDHXFCSA-N 2 2 370.494 0.232 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](OC(=O)N(C)C)C2)C1 ZINC000830486942 1222475064 /nfs/dbraw/zinc/47/50/64/1222475064.db2.gz LABIDNKTBJAGFD-HZPDHXFCSA-N 2 2 370.494 0.232 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H](OC(=O)N(C)C)C2)C1 ZINC000830486942 1222475071 /nfs/dbraw/zinc/47/50/71/1222475071.db2.gz LABIDNKTBJAGFD-HZPDHXFCSA-N 2 2 370.494 0.232 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@H](OC(=O)N(C)C)C2)C1 ZINC000830486942 1222475073 /nfs/dbraw/zinc/47/50/73/1222475073.db2.gz LABIDNKTBJAGFD-HZPDHXFCSA-N 2 2 370.494 0.232 10 0 FCAELP C[NH+](C)[C@]1(C(=O)N[C@H](CO)C[NH+]2CCCCC2)COc2ccccc2C1 ZINC001140509206 1222597358 /nfs/dbraw/zinc/59/73/58/1222597358.db2.gz BAZCAFAJHMSLIN-PXNSSMCTSA-N 2 2 361.486 0.885 10 0 FCAELP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000837804178 1222658115 /nfs/dbraw/zinc/65/81/15/1222658115.db2.gz GOGKKNHPQQTGBY-AWEZNQCLSA-N 2 2 358.446 0.784 10 0 FCAELP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000837804178 1222658117 /nfs/dbraw/zinc/65/81/17/1222658117.db2.gz GOGKKNHPQQTGBY-AWEZNQCLSA-N 2 2 358.446 0.784 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000847455687 1245338266 /nfs/dbraw/zinc/33/82/66/1245338266.db2.gz BFZAZQLYZMYUNX-MRXNPFEDSA-N 2 2 367.494 0.637 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000847455687 1245338268 /nfs/dbraw/zinc/33/82/68/1245338268.db2.gz BFZAZQLYZMYUNX-MRXNPFEDSA-N 2 2 367.494 0.637 10 0 FCAELP Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCC[NH+]2CCOC(C)(C)C2)cn1 ZINC000849513796 1245397649 /nfs/dbraw/zinc/39/76/49/1245397649.db2.gz DXIJFULAERZFMY-IAGOWNOFSA-N 2 2 363.506 0.682 10 0 FCAELP Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)NCC[NH+]2CCOC(C)(C)C2)cn1 ZINC000849513796 1245397654 /nfs/dbraw/zinc/39/76/54/1245397654.db2.gz DXIJFULAERZFMY-IAGOWNOFSA-N 2 2 363.506 0.682 10 0 FCAELP Cn1cc([C@H]2C[NH+](C)CC[C@H]2C(=O)NCC[N@@H+]2CCOC(C)(C)C2)cn1 ZINC000849513796 1245397660 /nfs/dbraw/zinc/39/76/60/1245397660.db2.gz DXIJFULAERZFMY-IAGOWNOFSA-N 2 2 363.506 0.682 10 0 FCAELP Cn1cc([C@H]2C[NH+](C)CC[C@H]2C(=O)NCC[N@H+]2CCOC(C)(C)C2)cn1 ZINC000849513796 1245397666 /nfs/dbraw/zinc/39/76/66/1245397666.db2.gz DXIJFULAERZFMY-IAGOWNOFSA-N 2 2 363.506 0.682 10 0 FCAELP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)[C@H](C)CO1 ZINC000849609513 1245408287 /nfs/dbraw/zinc/40/82/87/1245408287.db2.gz XSOUNYCUXRCKQR-AHCXZYCDSA-N 2 2 363.506 0.681 10 0 FCAELP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)[C@H](C)CO1 ZINC000849609513 1245408294 /nfs/dbraw/zinc/40/82/94/1245408294.db2.gz XSOUNYCUXRCKQR-AHCXZYCDSA-N 2 2 363.506 0.681 10 0 FCAELP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)[C@H](C)CO1 ZINC000849609513 1245408299 /nfs/dbraw/zinc/40/82/99/1245408299.db2.gz XSOUNYCUXRCKQR-AHCXZYCDSA-N 2 2 363.506 0.681 10 0 FCAELP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)[C@H](C)CO1 ZINC000849609513 1245408303 /nfs/dbraw/zinc/40/83/03/1245408303.db2.gz XSOUNYCUXRCKQR-AHCXZYCDSA-N 2 2 363.506 0.681 10 0 FCAELP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000897431053 1245471714 /nfs/dbraw/zinc/47/17/14/1245471714.db2.gz HNHYEWJFTJGISP-GOSISDBHSA-N 2 2 374.485 0.345 10 0 FCAELP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000897431053 1245471718 /nfs/dbraw/zinc/47/17/18/1245471718.db2.gz HNHYEWJFTJGISP-GOSISDBHSA-N 2 2 374.485 0.345 10 0 FCAELP [NH3+][C@]1(CO)CCCN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000923478887 1245723542 /nfs/dbraw/zinc/72/35/42/1245723542.db2.gz SZWKLXGROZKNML-LJQANCHMSA-N 2 2 362.474 0.243 10 0 FCAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC2(CC1)C[C@@H](O)CNC2=O ZINC000932839329 1245743942 /nfs/dbraw/zinc/74/39/42/1245743942.db2.gz KWJZLFFWPFIOGM-QZTJIDSGSA-N 2 2 361.486 0.442 10 0 FCAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC2(CC1)C[C@@H](O)CNC2=O ZINC000932839329 1245743948 /nfs/dbraw/zinc/74/39/48/1245743948.db2.gz KWJZLFFWPFIOGM-QZTJIDSGSA-N 2 2 361.486 0.442 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3C[C@@H]4[C@H](C3)C4(F)F)C2)CC1 ZINC001328034756 1265473653 /nfs/dbraw/zinc/47/36/53/1265473653.db2.gz CUZIEMFHZLJAKE-VIRABCJISA-N 2 2 370.444 0.431 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3C[C@@H]4[C@H](C3)C4(F)F)C2)CC1 ZINC001328034756 1265473658 /nfs/dbraw/zinc/47/36/58/1265473658.db2.gz CUZIEMFHZLJAKE-VIRABCJISA-N 2 2 370.444 0.431 10 0 FCAELP CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCOC1 ZINC001329811024 1265858248 /nfs/dbraw/zinc/85/82/48/1265858248.db2.gz PJYYEIQRYFNQHG-NVXWUHKLSA-N 2 2 366.506 0.299 10 0 FCAELP CCN(C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCOC1 ZINC001329811024 1265858255 /nfs/dbraw/zinc/85/82/55/1265858255.db2.gz PJYYEIQRYFNQHG-NVXWUHKLSA-N 2 2 366.506 0.299 10 0 FCAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001520742923 1265984712 /nfs/dbraw/zinc/98/47/12/1265984712.db2.gz WAKWDFWDAJODCK-FMKPAKJESA-N 2 2 359.474 0.790 10 0 FCAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001520742923 1265984721 /nfs/dbraw/zinc/98/47/21/1265984721.db2.gz WAKWDFWDAJODCK-FMKPAKJESA-N 2 2 359.474 0.790 10 0 FCAELP CC[N@H+](C)CCC(=O)N1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001520815136 1266008699 /nfs/dbraw/zinc/00/86/99/1266008699.db2.gz CJNNFQBKIBMQMU-VYDXJSESSA-N 2 2 361.490 0.893 10 0 FCAELP CC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001520815136 1266008706 /nfs/dbraw/zinc/00/87/06/1266008706.db2.gz CJNNFQBKIBMQMU-VYDXJSESSA-N 2 2 361.490 0.893 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CCc2c[nH+]cn2C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001520968589 1266053067 /nfs/dbraw/zinc/05/30/67/1266053067.db2.gz NVZPSUBKKXLTJH-ZBFHGGJFSA-N 2 2 359.474 0.554 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CCOC1(C)C ZINC001330737828 1266086277 /nfs/dbraw/zinc/08/62/77/1266086277.db2.gz RXRIKOBARQFKBF-HNNXBMFYSA-N 2 2 368.522 0.402 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CCOC1(C)C ZINC001330737828 1266086288 /nfs/dbraw/zinc/08/62/88/1266086288.db2.gz RXRIKOBARQFKBF-HNNXBMFYSA-N 2 2 368.522 0.402 10 0 FCAELP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001521917572 1266220186 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JJSVTUGZMMDIBZ-MRXNPFEDSA-N 2 2 351.491 0.716 10 0 FCAELP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC001335787172 1259839992 /nfs/dbraw/zinc/83/99/92/1259839992.db2.gz FMKJZRBRVIZUOV-ZWKOTPCHSA-N 2 2 374.485 0.180 10 0 FCAELP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC001335787172 1259840000 /nfs/dbraw/zinc/84/00/00/1259840000.db2.gz FMKJZRBRVIZUOV-ZWKOTPCHSA-N 2 2 374.485 0.180 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC001261924342 1260219624 /nfs/dbraw/zinc/21/96/24/1260219624.db2.gz TZGDEGRLHDOEBT-DOTOQJQBSA-N 2 2 373.501 0.586 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC001261924342 1260219633 /nfs/dbraw/zinc/21/96/33/1260219633.db2.gz TZGDEGRLHDOEBT-DOTOQJQBSA-N 2 2 373.501 0.586 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC[C@@H]3CC[C@H]4C[C@H]43)C2)CC1 ZINC001262236575 1260286207 /nfs/dbraw/zinc/28/62/07/1260286207.db2.gz IAXFMZMUYLKNNP-OVWQWFNUSA-N 2 2 362.518 0.824 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC[C@@H]3CC[C@H]4C[C@H]43)C2)CC1 ZINC001262236575 1260286214 /nfs/dbraw/zinc/28/62/14/1260286214.db2.gz IAXFMZMUYLKNNP-OVWQWFNUSA-N 2 2 362.518 0.824 10 0 FCAELP Cn1nc(C2CC2)nc1C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001264652209 1260392429 /nfs/dbraw/zinc/39/24/29/1260392429.db2.gz XYIFJXRFNOISCD-CVEARBPZSA-N 2 2 360.506 0.925 10 0 FCAELP Cn1nc(C2CC2)nc1C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001264652209 1260392435 /nfs/dbraw/zinc/39/24/35/1260392435.db2.gz XYIFJXRFNOISCD-CVEARBPZSA-N 2 2 360.506 0.925 10 0 FCAELP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001265285792 1260411216 /nfs/dbraw/zinc/41/12/16/1260411216.db2.gz HTDWEANUWVHGHG-QLFBSQMISA-N 2 2 367.494 0.143 10 0 FCAELP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001265285792 1260411218 /nfs/dbraw/zinc/41/12/18/1260411218.db2.gz 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C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001485884960 1263518994 /nfs/dbraw/zinc/51/89/94/1263518994.db2.gz HTNWFGNDLHPPOK-MGPQQGTHSA-N 2 2 368.503 0.775 10 0 FCAELP CN(C[C@H](O)C[NH2+]Cc1cncc(F)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001486302821 1263531429 /nfs/dbraw/zinc/53/14/29/1263531429.db2.gz XGYFZEKLAOCXLJ-BZUAXINKSA-N 2 2 361.421 0.667 10 0 FCAELP C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]Cc1nnnn1C1CC1 ZINC001492085144 1263638180 /nfs/dbraw/zinc/63/81/80/1263638180.db2.gz LEQFNDDBGJVILU-MRVWCRGKSA-N 2 2 358.450 0.530 10 0 FCAELP C[NH+](C)CC1(C(=O)N2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC001492124411 1263640071 /nfs/dbraw/zinc/64/00/71/1263640071.db2.gz DOEHOPBBWGKOIL-HUUCEWRRSA-N 2 2 359.474 0.962 10 0 FCAELP C[NH+](C)CC1(C(=O)N2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC001492124411 1263640083 /nfs/dbraw/zinc/64/00/83/1263640083.db2.gz DOEHOPBBWGKOIL-HUUCEWRRSA-N 2 2 359.474 0.962 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCC[C@H]2CC[NH+](Cc3ncnn3CCF)C2)CC[N@@H+]1C ZINC001494022613 1263748291 /nfs/dbraw/zinc/74/82/91/1263748291.db2.gz XWEKZQCNLKTJBO-OWCLPIDISA-N 2 2 366.485 0.916 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCC[C@H]2CC[NH+](Cc3ncnn3CCF)C2)CC[N@H+]1C ZINC001494022613 1263748296 /nfs/dbraw/zinc/74/82/96/1263748296.db2.gz XWEKZQCNLKTJBO-OWCLPIDISA-N 2 2 366.485 0.916 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCC[C@H]2CC[N@H+](Cc3ncnn3CCF)C2)CC[NH+]1C ZINC001494022613 1263748298 /nfs/dbraw/zinc/74/82/98/1263748298.db2.gz XWEKZQCNLKTJBO-OWCLPIDISA-N 2 2 366.485 0.916 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCC[C@H]2CC[N@@H+](Cc3ncnn3CCF)C2)CC[NH+]1C ZINC001494022613 1263748302 /nfs/dbraw/zinc/74/83/02/1263748302.db2.gz XWEKZQCNLKTJBO-OWCLPIDISA-N 2 2 366.485 0.916 10 0 FCAELP O=C(NC[C@H](O)C[NH2+]CC1CCCC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001320248094 1263777266 /nfs/dbraw/zinc/77/72/66/1263777266.db2.gz FDIYDFSSXJYWFZ-KURKYZTESA-N 2 2 369.506 0.123 10 0 FCAELP 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C[C@@H](C[NH2+]CC(=O)N(C)CC(F)(F)F)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001498054891 1263962677 /nfs/dbraw/zinc/96/26/77/1263962677.db2.gz ZQAVRYNYDNDQQB-HBNTYKKESA-N 2 2 361.368 0.628 10 0 FCAELP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001499222871 1264015809 /nfs/dbraw/zinc/01/58/09/1264015809.db2.gz DHWJEWAFYRFODM-RRFJBIMHSA-N 2 2 359.474 0.630 10 0 FCAELP C[C@@H](C[NH2+]CC(=O)N1CCC(C)CC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001321989606 1264123195 /nfs/dbraw/zinc/12/31/95/1264123195.db2.gz CHSZLVRSTFUQKS-ARFHVFGLSA-N 2 2 361.490 0.876 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@H]2COC3(C[NH+](CCOCC4CC4)C3)C2)CC[N@@H+]1C ZINC001502457973 1264172607 /nfs/dbraw/zinc/17/26/07/1264172607.db2.gz OHCKDNTYGDUIQU-DJIMGWMZSA-N 2 2 351.491 0.713 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@H]2COC3(C[NH+](CCOCC4CC4)C3)C2)CC[N@H+]1C ZINC001502457973 1264172612 /nfs/dbraw/zinc/17/26/12/1264172612.db2.gz OHCKDNTYGDUIQU-DJIMGWMZSA-N 2 2 351.491 0.713 10 0 FCAELP 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CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001736142598 1289170931 /nfs/dbraw/zinc/17/09/31/1289170931.db2.gz YALLUUQBZCEBTB-HUUCEWRRSA-N 2 2 365.478 0.272 10 0 FCAELP CN(CCC[NH2+]C[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001723043427 1288419286 /nfs/dbraw/zinc/41/92/86/1288419286.db2.gz KBYQKWRJDOAVOE-MGPQQGTHSA-N 2 2 354.476 0.386 10 0 FCAELP CN(CCC[NH2+]C[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001723043427 1288419290 /nfs/dbraw/zinc/41/92/90/1288419290.db2.gz KBYQKWRJDOAVOE-MGPQQGTHSA-N 2 2 354.476 0.386 10 0 FCAELP C[N@H+](CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C[C@H]1CCCCO1 ZINC001731779845 1288564815 /nfs/dbraw/zinc/56/48/15/1288564815.db2.gz LWHHOIGGZRQUOM-KURKYZTESA-N 2 2 369.506 0.483 10 0 FCAELP C[N@@H+](CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C[C@H]1CCCCO1 ZINC001731779845 1288564819 /nfs/dbraw/zinc/56/48/19/1288564819.db2.gz LWHHOIGGZRQUOM-KURKYZTESA-N 2 2 369.506 0.483 10 0 FCAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[NH2+]CCNC(=O)NC(C)(C)C ZINC001732350048 1288581925 /nfs/dbraw/zinc/58/19/25/1288581925.db2.gz UCTMAMVKGXXSRS-MGPQQGTHSA-N 2 2 364.494 0.953 10 0 FCAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[NH2+]CCNC(=O)NC(C)(C)C ZINC001732350048 1288581926 /nfs/dbraw/zinc/58/19/26/1288581926.db2.gz UCTMAMVKGXXSRS-MGPQQGTHSA-N 2 2 364.494 0.953 10 0 FCAELP C[C@@H](C[NH2+]CC(=O)NC(=O)NC(C)(C)C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001733000796 1288599065 /nfs/dbraw/zinc/59/90/65/1288599065.db2.gz KAKFKHVTFGIZRH-QJPTWQEYSA-N 2 2 364.450 0.232 10 0 FCAELP C[C@@H](C[NH2+]Cc1cn(CC2CC2)nn1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001733012398 1288600011 /nfs/dbraw/zinc/60/00/11/1288600011.db2.gz OPOOIIAUYXVMGX-APHBMKBZSA-N 2 2 357.462 0.820 10 0 FCAELP CN(CCC[NH2+]CC(=O)Nc1cnccn1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001733105158 1288602350 /nfs/dbraw/zinc/60/23/50/1288602350.db2.gz OMNDAYHQVLSLTA-CHWSQXEVSA-N 2 2 357.418 0.380 10 0 FCAELP CNC(=O)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001733573043 1288620077 /nfs/dbraw/zinc/62/00/77/1288620077.db2.gz UQLSGKKACQQUTD-IAGOWNOFSA-N 2 2 369.469 0.888 10 0 FCAELP CCC1([NH2+]CC(=O)NC(N)=O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001733803539 1288630378 /nfs/dbraw/zinc/63/03/78/1288630378.db2.gz ANEXDHLFAFXKOD-VXGBXAGGSA-N 2 2 362.434 0.069 10 0 FCAELP CCC1([NH2+]CC(=O)NC(N)=O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001733803539 1288630379 /nfs/dbraw/zinc/63/03/79/1288630379.db2.gz ANEXDHLFAFXKOD-VXGBXAGGSA-N 2 2 362.434 0.069 10 0 FCAELP CS(=O)(=O)CCC[NH2+]CC1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001733948665 1288638268 /nfs/dbraw/zinc/63/82/68/1288638268.db2.gz RJFGFQXFWVOCPY-NWINJMCUSA-N 2 2 354.476 0.432 10 0 FCAELP CS(=O)(=O)CCC[NH2+]CC1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001733948665 1288638273 /nfs/dbraw/zinc/63/82/73/1288638273.db2.gz RJFGFQXFWVOCPY-NWINJMCUSA-N 2 2 354.476 0.432 10 0 FCAELP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC001736276539 1289235941 /nfs/dbraw/zinc/23/59/41/1289235941.db2.gz QSYXQGNRRHJECP-HIFRSBDPSA-N 2 2 365.478 0.796 10 0 FCAELP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001736344371 1289269355 /nfs/dbraw/zinc/26/93/55/1289269355.db2.gz LXMVFKSJRVVCOJ-IFXJQAMLSA-N 2 2 361.490 0.989 10 0 FCAELP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001736344371 1289269363 /nfs/dbraw/zinc/26/93/63/1289269363.db2.gz LXMVFKSJRVVCOJ-IFXJQAMLSA-N 2 2 361.490 0.989 10 0 FCAELP CCOCC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001700339522 1289594202 /nfs/dbraw/zinc/59/42/02/1289594202.db2.gz XKBAFCQHHIONGH-HUUCEWRRSA-N 2 2 350.463 0.503 10 0 FCAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001701233745 1289640897 /nfs/dbraw/zinc/64/08/97/1289640897.db2.gz KALGRCMCJFMLPK-RRFJBIMHSA-N 2 2 361.490 0.829 10 0 FCAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001701233639 1289641093 /nfs/dbraw/zinc/64/10/93/1289641093.db2.gz JHNWVDBYHWGIMT-RRFJBIMHSA-N 2 2 361.490 0.971 10 0 FCAELP C[C@H](Cn1c([C@H]2CCCO2)nnc1N(C)CC[NH+]1CCOCC1)[NH+](C)C ZINC001611606728 1289661914 /nfs/dbraw/zinc/66/19/14/1289661914.db2.gz GPMWWAXMRZCFGU-HZPDHXFCSA-N 2 2 366.510 0.848 10 0 FCAELP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001739523750 1290113397 /nfs/dbraw/zinc/11/33/97/1290113397.db2.gz GXYYTMDCYVPMQM-CZUORRHYSA-N 2 2 365.478 0.655 10 0 FCAELP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001739523750 1290113401 /nfs/dbraw/zinc/11/34/01/1290113401.db2.gz GXYYTMDCYVPMQM-CZUORRHYSA-N 2 2 365.478 0.655 10 0 FCAELP CN(C[C@H](O)C[N@H+](C)Cc1cnn(C)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001649474852 1291151633 /nfs/dbraw/zinc/15/16/33/1291151633.db2.gz RAAYGUXJRBAYHU-BZUAXINKSA-N 2 2 360.462 0.208 10 0 FCAELP CN(C[C@H](O)C[N@@H+](C)Cc1cnn(C)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001649474852 1291151634 /nfs/dbraw/zinc/15/16/34/1291151634.db2.gz RAAYGUXJRBAYHU-BZUAXINKSA-N 2 2 360.462 0.208 10 0 FCAELP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCN2C(=O)N[C@@H](C)C2=O)CC1 ZINC001652430035 1291278505 /nfs/dbraw/zinc/27/85/05/1291278505.db2.gz QBIZHOXTBRQQDB-XHSDSOJGSA-N 2 2 351.495 0.417 10 0 FCAELP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCN2C(=O)N[C@@H](C)C2=O)CC1 ZINC001652430035 1291278512 /nfs/dbraw/zinc/27/85/12/1291278512.db2.gz QBIZHOXTBRQQDB-XHSDSOJGSA-N 2 2 351.495 0.417 10 0 FCAELP CC[NH+]1CCC([N@@H+]2CCCN(CCN3C(=O)NC(C)(C)C3=O)CC2)CC1 ZINC001654767718 1291434102 /nfs/dbraw/zinc/43/41/02/1291434102.db2.gz ZPOOFOZNKIGHEY-UHFFFAOYSA-N 2 2 365.522 0.809 10 0 FCAELP CC[NH+]1CCC([N@H+]2CCCN(CCN3C(=O)NC(C)(C)C3=O)CC2)CC1 ZINC001654767718 1291434105 /nfs/dbraw/zinc/43/41/05/1291434105.db2.gz ZPOOFOZNKIGHEY-UHFFFAOYSA-N 2 2 365.522 0.809 10 0 FCAELP CS(=O)(=O)CC1(C[NH2+][C@@H]2CC[C@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001656349681 1291513986 /nfs/dbraw/zinc/51/39/86/1291513986.db2.gz AOYWLKWFDTZFRV-UONOGXRCSA-N 2 2 368.503 0.652 10 0 FCAELP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H]1CC ZINC001656737643 1291559501 /nfs/dbraw/zinc/55/95/01/1291559501.db2.gz GPIDQAIIFPMKCL-QLFBSQMISA-N 2 2 367.494 0.143 10 0 FCAELP CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H]1CC ZINC001656737643 1291559510 /nfs/dbraw/zinc/55/95/10/1291559510.db2.gz GPIDQAIIFPMKCL-QLFBSQMISA-N 2 2 367.494 0.143 10 0 FCAELP CCNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H]1CC ZINC001656737643 1291559516 /nfs/dbraw/zinc/55/95/16/1291559516.db2.gz GPIDQAIIFPMKCL-QLFBSQMISA-N 2 2 367.494 0.143 10 0 FCAELP CCNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H]1CC ZINC001656737643 1291559524 /nfs/dbraw/zinc/55/95/24/1291559524.db2.gz GPIDQAIIFPMKCL-QLFBSQMISA-N 2 2 367.494 0.143 10 0 FCAELP CN(C[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)CC(F)(F)F ZINC001657881431 1291616311 /nfs/dbraw/zinc/61/63/11/1291616311.db2.gz XYFNRTSVAFVEFN-KBPBESRZSA-N 2 2 366.428 0.256 10 0 FCAELP CN(C[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)CC(F)(F)F ZINC001657881431 1291616318 /nfs/dbraw/zinc/61/63/18/1291616318.db2.gz XYFNRTSVAFVEFN-KBPBESRZSA-N 2 2 366.428 0.256 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NCC(C)(C)C ZINC001669045049 1291979048 /nfs/dbraw/zinc/97/90/48/1291979048.db2.gz CKJMVGPVZVCZAE-XEVLESSRSA-N 2 2 361.490 0.948 10 0 FCAELP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001678670523 1292277874 /nfs/dbraw/zinc/27/78/74/1292277874.db2.gz MAVPIFMPCDVPSS-FVQBIDKESA-N 2 2 361.490 0.827 10 0 FCAELP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001678670523 1292277880 /nfs/dbraw/zinc/27/78/80/1292277880.db2.gz MAVPIFMPCDVPSS-FVQBIDKESA-N 2 2 361.490 0.827 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CCN1C(=O)Cn1cc[nH+]c1C ZINC001684966216 1292385155 /nfs/dbraw/zinc/38/51/55/1292385155.db2.gz DMWRRNUHDZWAPD-JKSUJKDBSA-N 2 2 358.446 0.974 10 0 FCAELP CC(C)[N@H+](C)CC(=O)N1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC001685286313 1292484022 /nfs/dbraw/zinc/48/40/22/1292484022.db2.gz TWDVUNAUMWVOIK-OAGGEKHMSA-N 2 2 361.490 0.891 10 0 FCAELP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC001685286313 1292484026 /nfs/dbraw/zinc/48/40/26/1292484026.db2.gz TWDVUNAUMWVOIK-OAGGEKHMSA-N 2 2 361.490 0.891 10 0 FCAELP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001685831422 1292649732 /nfs/dbraw/zinc/64/97/32/1292649732.db2.gz PTNUREQGYGMHOY-INMHGKMJSA-N 2 2 361.490 0.658 10 0 FCAELP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001685831422 1292649743 /nfs/dbraw/zinc/64/97/43/1292649743.db2.gz PTNUREQGYGMHOY-INMHGKMJSA-N 2 2 361.490 0.658 10 0 FCAELP O=C(C[NH+]1CCCC1)NC[C@]12CCC[C@H]1N(C(=O)Cn1cc[nH+]c1)CC2 ZINC001685914675 1292693716 /nfs/dbraw/zinc/69/37/16/1292693716.db2.gz MSNSDWJJNVATLH-VQIMIIECSA-N 2 2 359.474 0.866 10 0 FCAELP CC(C)[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH+]cn1C)C2 ZINC001686071255 1292755656 /nfs/dbraw/zinc/75/56/56/1292755656.db2.gz JWUNOQWQDUKHIV-PVAVHDDUSA-N 2 2 361.490 0.941 10 0 FCAELP CC(C)[N@@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH+]cn1C)C2 ZINC001686071255 1292755658 /nfs/dbraw/zinc/75/56/58/1292755658.db2.gz JWUNOQWQDUKHIV-PVAVHDDUSA-N 2 2 361.490 0.941 10 0 FCAELP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](CC(=O)NCC2CCC2)C1 ZINC001276381017 861434800 /nfs/dbraw/zinc/43/48/00/861434800.db2.gz HPSMQRXHSLJJFO-CKEIUWERSA-N 2 2 350.507 0.679 10 0 FCAELP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](CC(=O)NCC2CCC2)C1 ZINC001276381017 861434802 /nfs/dbraw/zinc/43/48/02/861434802.db2.gz HPSMQRXHSLJJFO-CKEIUWERSA-N 2 2 350.507 0.679 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]Cc2nc(N(C)C)no2)C2CC2)CC[N@@H+]1C ZINC001276588508 861482415 /nfs/dbraw/zinc/48/24/15/861482415.db2.gz INOJPEXXIXFCLG-MRVWCRGKSA-N 2 2 350.467 0.460 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]Cc2nc(N(C)C)no2)C2CC2)CC[N@H+]1C ZINC001276588508 861482419 /nfs/dbraw/zinc/48/24/19/861482419.db2.gz INOJPEXXIXFCLG-MRVWCRGKSA-N 2 2 350.467 0.460 10 0 FCAELP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2C(=O)NCC23CCOCC3)CC1 ZINC001119519365 847872903 /nfs/dbraw/zinc/87/29/03/847872903.db2.gz IVHJMHCIVMRRIX-MRXNPFEDSA-N 2 2 353.463 0.289 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC(C)(C)C3CC3)C2)CC1 ZINC001119768785 847970229 /nfs/dbraw/zinc/97/02/29/847970229.db2.gz IICCUVASLHUQBP-HNNXBMFYSA-N 2 2 350.507 0.824 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC(C)(C)C3CC3)C2)CC1 ZINC001119768785 847970233 /nfs/dbraw/zinc/97/02/33/847970233.db2.gz IICCUVASLHUQBP-HNNXBMFYSA-N 2 2 350.507 0.824 10 0 FCAELP C[NH+](C)Cc1ccc(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)o1 ZINC001137770036 849282714 /nfs/dbraw/zinc/28/27/14/849282714.db2.gz VWOSKKUIGQNGIY-UHFFFAOYSA-N 2 2 351.447 0.641 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC001261819866 858675811 /nfs/dbraw/zinc/67/58/11/858675811.db2.gz LBOMWQHBZRBTJR-JQWIXIFHSA-N 2 2 361.368 0.065 10 0 FCAELP O=C(NC[C@H]1CC[C@@H]([NH2+]CCOCCO)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001263907769 859234222 /nfs/dbraw/zinc/23/42/22/859234222.db2.gz JUCKRGMVANTCMT-HRCADAONSA-N 2 2 350.463 0.329 10 0 FCAELP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC001264539015 859379454 /nfs/dbraw/zinc/37/94/54/859379454.db2.gz SPXCPEVLURRANI-BRWVUGGUSA-N 2 2 350.463 0.763 10 0 FCAELP CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001264731131 859445226 /nfs/dbraw/zinc/44/52/26/859445226.db2.gz DIOMMEAHKPLWSY-XHSDSOJGSA-N 2 2 354.495 0.058 10 0 FCAELP CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001264731131 859445228 /nfs/dbraw/zinc/44/52/28/859445228.db2.gz DIOMMEAHKPLWSY-XHSDSOJGSA-N 2 2 354.495 0.058 10 0 FCAELP CNC(=O)C[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001264748415 859448780 /nfs/dbraw/zinc/44/87/80/859448780.db2.gz OYQPRYYTCTUSRH-VXGBXAGGSA-N 2 2 365.503 0.204 10 0 FCAELP CNC(=O)C[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001264748415 859448782 /nfs/dbraw/zinc/44/87/82/859448782.db2.gz OYQPRYYTCTUSRH-VXGBXAGGSA-N 2 2 365.503 0.204 10 0 FCAELP C[C@@H](C[NH2+]Cc1ccns1)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001268696063 859538311 /nfs/dbraw/zinc/53/83/11/859538311.db2.gz DXZWNPAFMAPKBS-LZWOXQAQSA-N 2 2 368.503 0.617 10 0 FCAELP CN(CC(C)(C)C[NH2+]CCS(C)(=O)=O)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001282305909 864180650 /nfs/dbraw/zinc/18/06/50/864180650.db2.gz AUTPMKPGEBXLSK-CHWSQXEVSA-N 2 2 356.492 0.632 10 0 FCAELP CN(CC(C)(C)C[NH2+]CCS(C)(=O)=O)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001282305909 864180660 /nfs/dbraw/zinc/18/06/60/864180660.db2.gz AUTPMKPGEBXLSK-CHWSQXEVSA-N 2 2 356.492 0.632 10 0 FCAELP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001289342540 865025655 /nfs/dbraw/zinc/02/56/55/865025655.db2.gz XRXLPLYTMQGANE-RBSFLKMASA-N 2 2 353.442 0.526 10 0 FCAELP COC(C)(C)[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001351164680 866797533 /nfs/dbraw/zinc/79/75/33/866797533.db2.gz LIANSZSHZFOICQ-UONOGXRCSA-N 2 2 354.495 0.201 10 0 FCAELP COC(C)(C)[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001351164680 866797536 /nfs/dbraw/zinc/79/75/36/866797536.db2.gz LIANSZSHZFOICQ-UONOGXRCSA-N 2 2 354.495 0.201 10 0 FCAELP COC(C)(C)[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001351164681 866799032 /nfs/dbraw/zinc/79/90/32/866799032.db2.gz LIANSZSHZFOICQ-ZIAGYGMSSA-N 2 2 354.495 0.201 10 0 FCAELP COC(C)(C)[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001351164681 866799039 /nfs/dbraw/zinc/79/90/39/866799039.db2.gz LIANSZSHZFOICQ-ZIAGYGMSSA-N 2 2 354.495 0.201 10 0 FCAELP CS(=O)(=O)CC1(C[NH2+][C@@H]2CC[C@H](CNC(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001316671212 867390898 /nfs/dbraw/zinc/39/08/98/867390898.db2.gz NQRWBKASWKGHEF-LSDHHAIUSA-N 2 2 368.503 0.582 10 0 FCAELP CCN(C)C(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001316696085 867405311 /nfs/dbraw/zinc/40/53/11/867405311.db2.gz FAHKPPXFLNTZBH-OWCLPIDISA-N 2 2 354.495 0.012 10 0 FCAELP CCN(C)C(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001316696085 867405315 /nfs/dbraw/zinc/40/53/15/867405315.db2.gz FAHKPPXFLNTZBH-OWCLPIDISA-N 2 2 354.495 0.012 10 0 FCAELP CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001316796372 867498612 /nfs/dbraw/zinc/49/86/12/867498612.db2.gz KKFIFURZYFPOJW-CVEARBPZSA-N 2 2 371.547 0.875 10 0 FCAELP CC(C)S(=O)(=O)CCC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001316796372 867498628 /nfs/dbraw/zinc/49/86/28/867498628.db2.gz KKFIFURZYFPOJW-CVEARBPZSA-N 2 2 371.547 0.875 10 0 FCAELP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H]1F ZINC001322724298 868921130 /nfs/dbraw/zinc/92/11/30/868921130.db2.gz KINFCMNLSDDCOT-FMKPAKJESA-N 2 2 354.470 0.478 10 0 FCAELP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H]1F ZINC001322724298 868921143 /nfs/dbraw/zinc/92/11/43/868921143.db2.gz KINFCMNLSDDCOT-FMKPAKJESA-N 2 2 354.470 0.478 10 0 FCAELP COCCCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001325138395 869790801 /nfs/dbraw/zinc/79/08/01/869790801.db2.gz RKXWTWPAHCMRIM-RKVPGOIHSA-N 2 2 350.463 0.503 10 0 FCAELP COCCCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001325138395 869790813 /nfs/dbraw/zinc/79/08/13/869790813.db2.gz RKXWTWPAHCMRIM-RKVPGOIHSA-N 2 2 350.463 0.503 10 0 FCAELP CS(=O)(=O)CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001326289306 870242733 /nfs/dbraw/zinc/24/27/33/870242733.db2.gz IEDHSEGACJJWQU-BFHYXJOUSA-N 2 2 354.476 0.386 10 0 FCAELP CS(=O)(=O)CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001326289306 870242743 /nfs/dbraw/zinc/24/27/43/870242743.db2.gz IEDHSEGACJJWQU-BFHYXJOUSA-N 2 2 354.476 0.386 10 0 FCAELP Cn1cc(N2CC[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C2)cn1 ZINC001327689689 871014822 /nfs/dbraw/zinc/01/48/22/871014822.db2.gz WSJMGYMDONUKCH-HNNXBMFYSA-N 2 2 351.499 0.182 10 0 FCAELP Cn1cc(N2CC[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C2)cn1 ZINC001327689689 871014837 /nfs/dbraw/zinc/01/48/37/871014837.db2.gz WSJMGYMDONUKCH-HNNXBMFYSA-N 2 2 351.499 0.182 10 0 FCAELP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCOC[C@@H](O)C1 ZINC000295085643 214277958 /nfs/dbraw/zinc/27/79/58/214277958.db2.gz BMRKZSAGJRRSFO-APWZRJJASA-N 2 2 361.486 0.849 10 0 FCAELP CN1CC[N@@H+](C)[C@@H](CNC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000265216454 210075177 /nfs/dbraw/zinc/07/51/77/210075177.db2.gz VVEKZGAGEHQALK-INIZCTEOSA-N 2 2 351.470 0.932 10 0 FCAELP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000265216454 210075165 /nfs/dbraw/zinc/07/51/65/210075165.db2.gz VVEKZGAGEHQALK-INIZCTEOSA-N 2 2 351.470 0.932 10 0 FCAELP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000265216454 210075169 /nfs/dbraw/zinc/07/51/69/210075169.db2.gz VVEKZGAGEHQALK-INIZCTEOSA-N 2 2 351.470 0.932 10 0 FCAELP CN1CC[N@H+](C)[C@@H](CNC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000265216454 210075173 /nfs/dbraw/zinc/07/51/73/210075173.db2.gz VVEKZGAGEHQALK-INIZCTEOSA-N 2 2 351.470 0.932 10 0 FCAELP O=C1NC(=O)[C@@]2(CCC[N@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)N1 ZINC000284797808 213222828 /nfs/dbraw/zinc/22/28/28/213222828.db2.gz OKDHOMCHDMHARX-XLIONFOSSA-N 2 2 372.469 0.952 10 0 FCAELP O=C1NC(=O)[C@@]2(CCC[N@@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)N1 ZINC000284797808 213222830 /nfs/dbraw/zinc/22/28/30/213222830.db2.gz OKDHOMCHDMHARX-XLIONFOSSA-N 2 2 372.469 0.952 10 0 FCAELP O=C1NC(=O)[C@@]2(CCC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)N1 ZINC000284797808 213222832 /nfs/dbraw/zinc/22/28/32/213222832.db2.gz OKDHOMCHDMHARX-XLIONFOSSA-N 2 2 372.469 0.952 10 0 FCAELP O=C1NC(=O)[C@@]2(CCC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)N1 ZINC000284797808 213222835 /nfs/dbraw/zinc/22/28/35/213222835.db2.gz OKDHOMCHDMHARX-XLIONFOSSA-N 2 2 372.469 0.952 10 0 FCAELP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000284692847 213200042 /nfs/dbraw/zinc/20/00/42/213200042.db2.gz FCRPXXXKGBVPTK-MRXNPFEDSA-N 2 2 360.458 0.839 10 0 FCAELP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(N(C)C)[nH+]c2)[C@@H](C)C1 ZINC000284464256 213144796 /nfs/dbraw/zinc/14/47/96/213144796.db2.gz GHRFAOGCHJGYOW-GOEBONIOSA-N 2 2 361.490 0.953 10 0 FCAELP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(N(C)C)[nH+]c2)[C@@H](C)C1 ZINC000284464256 213144798 /nfs/dbraw/zinc/14/47/98/213144798.db2.gz GHRFAOGCHJGYOW-GOEBONIOSA-N 2 2 361.490 0.953 10 0 FCAELP O=C(NCCn1cc[nH+]c1)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000284138473 213082424 /nfs/dbraw/zinc/08/24/24/213082424.db2.gz XFOBYRVYOQHBHZ-HNNXBMFYSA-N 2 2 370.457 0.938 10 0 FCAELP C[C@H](O)[C@H]1C[N@H+](Cc2cccc(C[NH+]3CCO[C@H]([C@H](C)O)C3)c2)CCO1 ZINC000412096018 237163936 /nfs/dbraw/zinc/16/39/36/237163936.db2.gz SGHOMQYYBPCREL-CPLUKWAASA-N 2 2 364.486 0.850 10 0 FCAELP C[C@H](O)[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CCO[C@H]([C@H](C)O)C3)c2)CCO1 ZINC000412096018 237163945 /nfs/dbraw/zinc/16/39/45/237163945.db2.gz SGHOMQYYBPCREL-CPLUKWAASA-N 2 2 364.486 0.850 10 0 FCAELP C[C@H](O)[C@H]1C[NH+](Cc2cccc(C[N@@H+]3CCO[C@H]([C@H](C)O)C3)c2)CCO1 ZINC000412096018 237163951 /nfs/dbraw/zinc/16/39/51/237163951.db2.gz SGHOMQYYBPCREL-CPLUKWAASA-N 2 2 364.486 0.850 10 0 FCAELP C[C@H](O)[C@H]1C[NH+](Cc2cccc(C[N@H+]3CCO[C@H]([C@H](C)O)C3)c2)CCO1 ZINC000412096018 237163960 /nfs/dbraw/zinc/16/39/60/237163960.db2.gz SGHOMQYYBPCREL-CPLUKWAASA-N 2 2 364.486 0.850 10 0 FCAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCO[C@@H](CN(C)CC(N)=O)C1 ZINC000367049542 216068888 /nfs/dbraw/zinc/06/88/88/216068888.db2.gz GYKPXAUYIHNGKU-SFHVURJKSA-N 2 2 357.458 0.799 10 0 FCAELP 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Cc1cnn([C@@H]2CC[NH+](CC(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)C2)c1 ZINC000368088249 216201440 /nfs/dbraw/zinc/20/14/40/216201440.db2.gz FUEGVIDAXMMGNS-MSOLQXFVSA-N 2 2 363.506 0.911 10 0 FCAELP Cc1cnn([C@@H]2CC[NH+](CC(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)C2)c1 ZINC000368088249 216201445 /nfs/dbraw/zinc/20/14/45/216201445.db2.gz FUEGVIDAXMMGNS-MSOLQXFVSA-N 2 2 363.506 0.911 10 0 FCAELP Cc1cnn([C@@H]2CC[N@@H+](CC(=O)NC[C@H]3C[NH+](CC(C)C)CCO3)C2)c1 ZINC000368088249 216201450 /nfs/dbraw/zinc/20/14/50/216201450.db2.gz FUEGVIDAXMMGNS-MSOLQXFVSA-N 2 2 363.506 0.911 10 0 FCAELP Cc1cnn([C@@H]2CC[N@H+](CC(=O)NC[C@H]3C[NH+](CC(C)C)CCO3)C2)c1 ZINC000368088249 216201452 /nfs/dbraw/zinc/20/14/52/216201452.db2.gz FUEGVIDAXMMGNS-MSOLQXFVSA-N 2 2 363.506 0.911 10 0 FCAELP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H](C)[NH+]2CCOCC2)CC1=O ZINC000246342319 209385364 /nfs/dbraw/zinc/38/53/64/209385364.db2.gz BZYPZAIXPHSLNS-YESZJQIVSA-N 2 2 366.506 0.156 10 0 FCAELP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H](C)[NH+]2CCOCC2)CC1=O ZINC000246342319 209385367 /nfs/dbraw/zinc/38/53/67/209385367.db2.gz BZYPZAIXPHSLNS-YESZJQIVSA-N 2 2 366.506 0.156 10 0 FCAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000246372191 209385192 /nfs/dbraw/zinc/38/51/92/209385192.db2.gz YQRZNIIERRSIHA-SJORKVTESA-N 2 2 352.523 0.772 10 0 FCAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000246372191 209385198 /nfs/dbraw/zinc/38/51/98/209385198.db2.gz YQRZNIIERRSIHA-SJORKVTESA-N 2 2 352.523 0.772 10 0 FCAELP C[C@H](NC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000246545191 209390881 /nfs/dbraw/zinc/39/08/81/209390881.db2.gz XTVUOONMRNRKBY-IKGGRYGDSA-N 2 2 368.522 0.990 10 0 FCAELP C[C@H](NC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000246545191 209390885 /nfs/dbraw/zinc/39/08/85/209390885.db2.gz XTVUOONMRNRKBY-IKGGRYGDSA-N 2 2 368.522 0.990 10 0 FCAELP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[NH+](CCNC(=O)c3ccccc3F)CC2)C1 ZINC000237955523 209362971 /nfs/dbraw/zinc/36/29/71/209362971.db2.gz PDTSFZRPDWWGGB-LSDHHAIUSA-N 2 2 362.449 0.827 10 0 FCAELP COC(=O)CCNC(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195259397 209335536 /nfs/dbraw/zinc/33/55/36/209335536.db2.gz MQQQOJFQWMQVOD-CQSZACIVSA-N 2 2 368.503 0.885 10 0 FCAELP COC(=O)CCNC(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195259397 209335538 /nfs/dbraw/zinc/33/55/38/209335538.db2.gz MQQQOJFQWMQVOD-CQSZACIVSA-N 2 2 368.503 0.885 10 0 FCAELP COC(=O)CCNC(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195259397 209335541 /nfs/dbraw/zinc/33/55/41/209335541.db2.gz MQQQOJFQWMQVOD-CQSZACIVSA-N 2 2 368.503 0.885 10 0 FCAELP COC(=O)CCNC(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195259397 209335543 /nfs/dbraw/zinc/33/55/43/209335543.db2.gz MQQQOJFQWMQVOD-CQSZACIVSA-N 2 2 368.503 0.885 10 0 FCAELP CC(C)[N@@H+]1CCO[C@H](CN2CCN(CC[NH+]3CCO[C@@H](C)C3)CC2)C1 ZINC000192734915 209304698 /nfs/dbraw/zinc/30/46/98/209304698.db2.gz RGRHYZINKMNWHN-RBUKOAKNSA-N 2 2 354.539 0.434 10 0 FCAELP CC(C)[NH+]1CCO[C@H](CN2CCN(CC[N@@H+]3CCO[C@@H](C)C3)CC2)C1 ZINC000192734915 209304704 /nfs/dbraw/zinc/30/47/04/209304704.db2.gz RGRHYZINKMNWHN-RBUKOAKNSA-N 2 2 354.539 0.434 10 0 FCAELP CC(C)[NH+]1CCO[C@H](CN2CCN(CC[N@H+]3CCO[C@@H](C)C3)CC2)C1 ZINC000192734915 209304708 /nfs/dbraw/zinc/30/47/08/209304708.db2.gz RGRHYZINKMNWHN-RBUKOAKNSA-N 2 2 354.539 0.434 10 0 FCAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCN3CCO[C@@H](C)C3)CC2)C1 ZINC000192734915 209304689 /nfs/dbraw/zinc/30/46/89/209304689.db2.gz RGRHYZINKMNWHN-RBUKOAKNSA-N 2 2 354.539 0.434 10 0 FCAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCN3CCO[C@@H](C)C3)CC2)C1 ZINC000192734915 209304695 /nfs/dbraw/zinc/30/46/95/209304695.db2.gz RGRHYZINKMNWHN-RBUKOAKNSA-N 2 2 354.539 0.434 10 0 FCAELP C[NH+]1CCN(c2ccc(CNC(=O)C3([NH+]4CCOCC4)CCC3)cn2)CC1 ZINC000368581777 216267382 /nfs/dbraw/zinc/26/73/82/216267382.db2.gz HPUFUYNXXIAZEC-UHFFFAOYSA-N 2 2 373.501 0.705 10 0 FCAELP CCOC[C@H](C)[NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000368888433 216313064 /nfs/dbraw/zinc/31/30/64/216313064.db2.gz KTSLSGFQGDPNHC-HOTGVXAUSA-N 2 2 363.506 0.848 10 0 FCAELP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ncnn3CCF)CC2)CC1 ZINC000369069635 216343006 /nfs/dbraw/zinc/34/30/06/216343006.db2.gz BFOXCEXMSYDWHH-UHFFFAOYSA-N 2 2 352.458 0.624 10 0 FCAELP CC(=O)NC1CN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000190220058 209269189 /nfs/dbraw/zinc/26/91/89/209269189.db2.gz MMZFUFIMJVHCAZ-UHFFFAOYSA-N 2 2 351.495 0.467 10 0 FCAELP CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000189453031 209253078 /nfs/dbraw/zinc/25/30/78/209253078.db2.gz XTJMJFHVFVCILE-QGZVFWFLSA-N 2 2 371.441 0.726 10 0 FCAELP Cn1nccc1C[NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000370229524 216519167 /nfs/dbraw/zinc/51/91/67/216519167.db2.gz BVAIPPPEHIYXFP-HNNXBMFYSA-N 2 2 371.489 0.356 10 0 FCAELP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000414808779 245325466 /nfs/dbraw/zinc/32/54/66/245325466.db2.gz TVQZUPDSZPOXAV-UHFFFAOYSA-N 2 2 362.474 0.962 10 0 FCAELP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000414808779 245325472 /nfs/dbraw/zinc/32/54/72/245325472.db2.gz TVQZUPDSZPOXAV-UHFFFAOYSA-N 2 2 362.474 0.962 10 0 FCAELP C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1)[C@H](C)[NH3+] ZINC000415027668 245340700 /nfs/dbraw/zinc/34/07/00/245340700.db2.gz XATSQZFJXDTYFK-QWHCGFSZSA-N 2 2 369.491 0.480 10 0 FCAELP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)[C@@H](C)C1 ZINC000415161081 245353224 /nfs/dbraw/zinc/35/32/24/245353224.db2.gz MFQYBLIGTLUBQS-ZDUSSCGKSA-N 2 2 374.441 0.324 10 0 FCAELP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)[C@@H](C)C1 ZINC000415161081 245353231 /nfs/dbraw/zinc/35/32/31/245353231.db2.gz MFQYBLIGTLUBQS-ZDUSSCGKSA-N 2 2 374.441 0.324 10 0 FCAELP COC[C@@H]1C[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C[C@H](C)O1 ZINC000373675489 217043818 /nfs/dbraw/zinc/04/38/18/217043818.db2.gz JJSVBHOZYYQBKQ-ULQDDVLXSA-N 2 2 357.495 0.195 10 0 FCAELP COC[C@@H]1C[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C[C@H](C)O1 ZINC000373675489 217043820 /nfs/dbraw/zinc/04/38/20/217043820.db2.gz JJSVBHOZYYQBKQ-ULQDDVLXSA-N 2 2 357.495 0.195 10 0 FCAELP COC[C@@H]1C[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C[C@H](C)O1 ZINC000373675489 217043823 /nfs/dbraw/zinc/04/38/23/217043823.db2.gz JJSVBHOZYYQBKQ-ULQDDVLXSA-N 2 2 357.495 0.195 10 0 FCAELP COC[C@@H]1C[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@H](C)O1 ZINC000373675489 217043825 /nfs/dbraw/zinc/04/38/25/217043825.db2.gz JJSVBHOZYYQBKQ-ULQDDVLXSA-N 2 2 357.495 0.195 10 0 FCAELP Cc1cc(N2CC[C@H]([N@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@@H](C)C3)C2=O)n(C)n1 ZINC000376203248 217368963 /nfs/dbraw/zinc/36/89/63/217368963.db2.gz LSOKDDKUEAOZMS-SZMVWBNQSA-N 2 2 374.533 0.792 10 0 FCAELP Cc1cc(N2CC[C@H]([N@@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@@H](C)C3)C2=O)n(C)n1 ZINC000376203248 217368967 /nfs/dbraw/zinc/36/89/67/217368967.db2.gz LSOKDDKUEAOZMS-SZMVWBNQSA-N 2 2 374.533 0.792 10 0 FCAELP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCc2nc(C[NH+](C)C)cs2)C1 ZINC000931658004 674127716 /nfs/dbraw/zinc/12/77/16/674127716.db2.gz UCLBWFNBOUNDQQ-ZDUSSCGKSA-N 2 2 367.519 0.669 10 0 FCAELP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCc2nc(C[NH+](C)C)cs2)C1 ZINC000931658004 674127721 /nfs/dbraw/zinc/12/77/21/674127721.db2.gz UCLBWFNBOUNDQQ-ZDUSSCGKSA-N 2 2 367.519 0.669 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000931659110 674127751 /nfs/dbraw/zinc/12/77/51/674127751.db2.gz QCOXPBIIWMFULF-CYBMUJFWSA-N 2 2 353.492 0.374 10 0 FCAELP CC(C)[NH2+]C1CCN(C(=O)C(=O)NCc2nc(C[NH+](C)C)cs2)CC1 ZINC000931658873 674127841 /nfs/dbraw/zinc/12/78/41/674127841.db2.gz MYRUPJYWPCWEDQ-UHFFFAOYSA-N 2 2 367.519 0.810 10 0 FCAELP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000419154202 246019597 /nfs/dbraw/zinc/01/95/97/246019597.db2.gz PVLZSNFZHAQWPE-RDJZCZTQSA-N 2 2 369.469 0.856 10 0 FCAELP CCN(CC)c1ccc(CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c[nH+]1 ZINC000419204537 246050314 /nfs/dbraw/zinc/05/03/14/246050314.db2.gz JCGAIFYMAGSKND-IYBDPMFKSA-N 2 2 359.474 0.897 10 0 FCAELP CN(C)c1ccc(CNC(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)c[nH+]1 ZINC000419386027 246126182 /nfs/dbraw/zinc/12/61/82/246126182.db2.gz DECMDAHFCSKWAJ-INIZCTEOSA-N 2 2 368.441 0.332 10 0 FCAELP [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)C[C@H]12 ZINC000419639639 246225918 /nfs/dbraw/zinc/22/59/18/246225918.db2.gz KBTLTYXQNBOBHV-OKZBNKHCSA-N 2 2 367.453 0.743 10 0 FCAELP C[C@@H](NC(=O)C(=O)NCC1([NH3+])CCCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000419676915 246244106 /nfs/dbraw/zinc/24/41/06/246244106.db2.gz CDBACMXYSMUJQT-CABCVRRESA-N 2 2 354.495 0.380 10 0 FCAELP [NH3+][C@@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000419712354 246262905 /nfs/dbraw/zinc/26/29/05/246262905.db2.gz PDBORYVIZPWWRQ-CYBMUJFWSA-N 2 2 350.850 0.374 10 0 FCAELP [NH3+][C@@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000419712354 246262909 /nfs/dbraw/zinc/26/29/09/246262909.db2.gz PDBORYVIZPWWRQ-CYBMUJFWSA-N 2 2 350.850 0.374 10 0 FCAELP [NH3+][C@H](CNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000419739289 246278386 /nfs/dbraw/zinc/27/83/86/246278386.db2.gz ZHEWSEVHMSCYEA-HZPDHXFCSA-N 2 2 353.426 0.593 10 0 FCAELP [NH3+][C@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000419925430 246371369 /nfs/dbraw/zinc/37/13/69/246371369.db2.gz IQJKBRVCWPTKOV-QZTJIDSGSA-N 2 2 374.485 0.516 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N3CCC[C@@H](C)[C@@H]3C[NH3+])CC2)cc[nH+]1 ZINC000423729516 247130919 /nfs/dbraw/zinc/13/09/19/247130919.db2.gz KKUGKQATXYNRMC-HIFRSBDPSA-N 2 2 360.462 0.019 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])CC1 ZINC000423738472 247135391 /nfs/dbraw/zinc/13/53/91/247135391.db2.gz QSJSTDBNGDZUQX-GOEBONIOSA-N 2 2 359.474 0.624 10 0 FCAELP Cn1cc[nH+]c1CN(C(=O)C[NH2+]C[C@H]1CCCO1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435560953 248000813 /nfs/dbraw/zinc/00/08/13/248000813.db2.gz YNFQLSOLLWUKRH-HZPDHXFCSA-N 3 2 361.490 0.659 10 0 FCAELP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000439250469 248116941 /nfs/dbraw/zinc/11/69/41/248116941.db2.gz UNSJFOQYLGTSDI-GOSISDBHSA-N 2 2 363.506 0.858 10 0 FCAELP C[C@@H]1CN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CC[N@@H+]1CCO ZINC000443226100 248312646 /nfs/dbraw/zinc/31/26/46/248312646.db2.gz MLADTTAVJPCGOW-OAHLLOKOSA-N 2 2 364.471 0.619 10 0 FCAELP C[C@@H]1CN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CC[N@H+]1CCO ZINC000443226100 248312649 /nfs/dbraw/zinc/31/26/49/248312649.db2.gz MLADTTAVJPCGOW-OAHLLOKOSA-N 2 2 364.471 0.619 10 0 FCAELP C[C@@]1(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCCC[NH2+]1 ZINC000180997795 209106898 /nfs/dbraw/zinc/10/68/98/209106898.db2.gz MBLDSHQFSJSZRJ-IBGZPJMESA-N 2 2 359.474 0.769 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](CO)c2ccsc2)C1 ZINC000473175665 250205436 /nfs/dbraw/zinc/20/54/36/250205436.db2.gz URMQQJHTEQHAKB-HOTGVXAUSA-N 2 2 355.504 0.844 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](CO)c2ccsc2)C1 ZINC000473175665 250205442 /nfs/dbraw/zinc/20/54/42/250205442.db2.gz URMQQJHTEQHAKB-HOTGVXAUSA-N 2 2 355.504 0.844 10 0 FCAELP NC(=O)C[N@@H+]1CCc2ccc(NC(=O)CCCC[NH+]3CCOCC3)cc2C1 ZINC000481147614 250317912 /nfs/dbraw/zinc/31/79/12/250317912.db2.gz XAZVKBFFKDODHY-UHFFFAOYSA-N 2 2 374.485 0.971 10 0 FCAELP NC(=O)C[N@H+]1CCc2ccc(NC(=O)CCCC[NH+]3CCOCC3)cc2C1 ZINC000481147614 250317918 /nfs/dbraw/zinc/31/79/18/250317918.db2.gz XAZVKBFFKDODHY-UHFFFAOYSA-N 2 2 374.485 0.971 10 0 FCAELP COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC[N@H+](C)C1 ZINC000411756750 532986993 /nfs/dbraw/zinc/98/69/93/532986993.db2.gz KNFGRXGYXUAYOE-CYBMUJFWSA-N 2 2 373.413 0.144 10 0 FCAELP COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC[N@@H+](C)C1 ZINC000411756750 532986998 /nfs/dbraw/zinc/98/69/98/532986998.db2.gz KNFGRXGYXUAYOE-CYBMUJFWSA-N 2 2 373.413 0.144 10 0 FCAELP C[C@@H](CNC(=O)NCc1cccnc1-n1cc[nH+]c1)C[NH+]1CCN(C)CC1 ZINC000073633290 208048294 /nfs/dbraw/zinc/04/82/94/208048294.db2.gz GIGCWCKJSUUZBP-INIZCTEOSA-N 2 2 371.489 0.950 10 0 FCAELP C[C@@H]1C(=O)NCCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000074767855 208057997 /nfs/dbraw/zinc/05/79/97/208057997.db2.gz NNBYDHOIOPNOER-OAHLLOKOSA-N 2 2 351.495 0.467 10 0 FCAELP CN1CC[NH+]([C@H]2CCCCN(C(=O)NCCC[NH+]3CCOCC3)C2)CC1 ZINC000091843096 208141015 /nfs/dbraw/zinc/14/10/15/208141015.db2.gz XFHTXNSYOPPVRO-SFHVURJKSA-N 2 2 367.538 0.520 10 0 FCAELP C[NH+]1CCN([C@H]2CCCCN(C(=O)NCCC[NH+]3CCOCC3)C2)CC1 ZINC000091843096 208141020 /nfs/dbraw/zinc/14/10/20/208141020.db2.gz XFHTXNSYOPPVRO-SFHVURJKSA-N 2 2 367.538 0.520 10 0 FCAELP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCC[C@@H]3CN3CCOCC3)cn2)CC1 ZINC000093011906 208151139 /nfs/dbraw/zinc/15/11/39/208151139.db2.gz UQOIMOWUISOQAJ-LJQANCHMSA-N 2 2 374.533 0.915 10 0 FCAELP C[NH+]1CCN(c2ncc(C[N@H+]3CCCC[C@@H]3CN3CCOCC3)cn2)CC1 ZINC000093011906 208151147 /nfs/dbraw/zinc/15/11/47/208151147.db2.gz UQOIMOWUISOQAJ-LJQANCHMSA-N 2 2 374.533 0.915 10 0 FCAELP C[NH+]1CCN(c2ncc(CN3CCCC[C@@H]3C[NH+]3CCOCC3)cn2)CC1 ZINC000093011906 208151149 /nfs/dbraw/zinc/15/11/49/208151149.db2.gz UQOIMOWUISOQAJ-LJQANCHMSA-N 2 2 374.533 0.915 10 0 FCAELP CCN(CC)C(=O)[C@H](C)[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106121827 208208742 /nfs/dbraw/zinc/20/87/42/208208742.db2.gz BXVZHQXLSRKRKA-ROUUACIJSA-N 2 2 354.539 0.970 10 0 FCAELP CCN(CC)C(=O)[C@H](C)[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106121827 208208747 /nfs/dbraw/zinc/20/87/47/208208747.db2.gz BXVZHQXLSRKRKA-ROUUACIJSA-N 2 2 354.539 0.970 10 0 FCAELP C[N@@H+]1CCO[C@H](CNC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000104787891 208185909 /nfs/dbraw/zinc/18/59/09/208185909.db2.gz MKYMRRYJMGYMRY-GOSISDBHSA-N 2 2 362.474 0.649 10 0 FCAELP C[N@H+]1CCO[C@H](CNC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000104787891 208185928 /nfs/dbraw/zinc/18/59/28/208185928.db2.gz MKYMRRYJMGYMRY-GOSISDBHSA-N 2 2 362.474 0.649 10 0 FCAELP C[C@@H]1CN(C(=O)C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)C[C@@H](C)O1 ZINC000106129998 208214855 /nfs/dbraw/zinc/21/48/55/208214855.db2.gz SIFRVIWGKCZPLH-IAGOWNOFSA-N 2 2 363.506 0.915 10 0 FCAELP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)C[C@@H](C)O1 ZINC000106129998 208214862 /nfs/dbraw/zinc/21/48/62/208214862.db2.gz SIFRVIWGKCZPLH-IAGOWNOFSA-N 2 2 363.506 0.915 10 0 FCAELP C[NH+]1CCN(C(=O)CC2CC[NH+](CC(=O)Nc3nccs3)CC2)CC1 ZINC000109789969 208263805 /nfs/dbraw/zinc/26/38/05/208263805.db2.gz WAGIPKGKYHGTHV-UHFFFAOYSA-N 2 2 365.503 0.958 10 0 FCAELP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCN(CC(=O)N(C)C)CC2)CC1 ZINC000114455184 208313292 /nfs/dbraw/zinc/31/32/92/208313292.db2.gz RYJWVAGHLRIUCM-UHFFFAOYSA-N 2 2 367.538 0.071 10 0 FCAELP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCN(CC(=O)N(C)C)CC2)CC1 ZINC000114455184 208313298 /nfs/dbraw/zinc/31/32/98/208313298.db2.gz RYJWVAGHLRIUCM-UHFFFAOYSA-N 2 2 367.538 0.071 10 0 FCAELP C[C@@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000111587893 208283658 /nfs/dbraw/zinc/28/36/58/208283658.db2.gz PVSMWQFTCZIRLL-YJBOKZPZSA-N 2 2 364.465 0.783 10 0 FCAELP C[C@@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000111587893 208283663 /nfs/dbraw/zinc/28/36/63/208283663.db2.gz PVSMWQFTCZIRLL-YJBOKZPZSA-N 2 2 364.465 0.783 10 0 FCAELP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@@H]3CCC[N@@H+]3C)c2)CC1 ZINC000118105344 208349193 /nfs/dbraw/zinc/34/91/93/208349193.db2.gz ZRDOYHLVSRAVDR-SFHVURJKSA-N 2 2 373.501 0.583 10 0 FCAELP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@@H]3CCC[N@H+]3C)c2)CC1 ZINC000118105344 208349195 /nfs/dbraw/zinc/34/91/95/208349195.db2.gz ZRDOYHLVSRAVDR-SFHVURJKSA-N 2 2 373.501 0.583 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C[C@H]1[NH+]1CCOCC1 ZINC000180259006 209092887 /nfs/dbraw/zinc/09/28/87/209092887.db2.gz HHWPCXOFANMAOL-KBXCAEBGSA-N 2 2 372.469 0.750 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C[C@H]1[NH+]1CCOCC1 ZINC000180259006 209092892 /nfs/dbraw/zinc/09/28/92/209092892.db2.gz HHWPCXOFANMAOL-KBXCAEBGSA-N 2 2 372.469 0.750 10 0 FCAELP Cc1nc(C[NH+]2CCC(C(=O)NC[C@@H]3C[NH+]4CCN3CC4)CC2)cs1 ZINC000178724037 209058770 /nfs/dbraw/zinc/05/87/70/209058770.db2.gz DLHVXDGPPOLNCW-QGZVFWFLSA-N 2 2 363.531 0.780 10 0 FCAELP CN(C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000410499703 230106701 /nfs/dbraw/zinc/10/67/01/230106701.db2.gz UIFUPYILUHVLAG-MRXNPFEDSA-N 2 2 357.458 0.425 10 0 FCAELP CN(C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000410499703 230106703 /nfs/dbraw/zinc/10/67/03/230106703.db2.gz UIFUPYILUHVLAG-MRXNPFEDSA-N 2 2 357.458 0.425 10 0 FCAELP Cn1cc([C@H](CNc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)[NH+](C)C)cn1 ZINC000302224472 488888283 /nfs/dbraw/zinc/88/82/83/488888283.db2.gz QHVNOCUUAYLNAG-AWEZNQCLSA-N 2 2 358.450 0.203 10 0 FCAELP O=C(C[N@@H+]1CC[C@]2(CNC(=O)C2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000278971490 488908035 /nfs/dbraw/zinc/90/80/35/488908035.db2.gz XWDHUDXVQIHWQX-SFHVURJKSA-N 2 2 362.499 0.604 10 0 FCAELP O=C(C[N@H+]1CC[C@]2(CNC(=O)C2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000278971490 488908036 /nfs/dbraw/zinc/90/80/36/488908036.db2.gz XWDHUDXVQIHWQX-SFHVURJKSA-N 2 2 362.499 0.604 10 0 FCAELP COc1ccc(C(=O)NCC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000364232098 488938534 /nfs/dbraw/zinc/93/85/34/488938534.db2.gz UXIQPTJPSAOBCO-INIZCTEOSA-N 2 2 374.485 0.710 10 0 FCAELP COc1ccc(C(=O)NCC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000364232098 488938537 /nfs/dbraw/zinc/93/85/37/488938537.db2.gz UXIQPTJPSAOBCO-INIZCTEOSA-N 2 2 374.485 0.710 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(C(=O)N(C)C)CC2)C1 ZINC000016339775 487587946 /nfs/dbraw/zinc/58/79/46/487587946.db2.gz SRZVAPGFGZZGRO-KRWDZBQOSA-N 2 2 368.522 0.260 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(C(=O)N(C)C)CC2)C1 ZINC000016339775 487587952 /nfs/dbraw/zinc/58/79/52/487587952.db2.gz SRZVAPGFGZZGRO-KRWDZBQOSA-N 2 2 368.522 0.260 10 0 FCAELP Cc1cc(N)nc(SCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)[nH+]1 ZINC000029914663 487735055 /nfs/dbraw/zinc/73/50/55/487735055.db2.gz LEJKFQXSWQGBRI-ZDUSSCGKSA-N 2 2 353.492 0.932 10 0 FCAELP Cc1cc(N)nc(SCC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)[nH+]1 ZINC000029914663 487735057 /nfs/dbraw/zinc/73/50/57/487735057.db2.gz LEJKFQXSWQGBRI-ZDUSSCGKSA-N 2 2 353.492 0.932 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](CC(N)=O)C2CCCC2)C1 ZINC000052826450 488182972 /nfs/dbraw/zinc/18/29/72/488182972.db2.gz RGBVUGIEPWQIFS-INIZCTEOSA-N 2 2 354.495 0.189 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](CC(N)=O)C2CCCC2)C1 ZINC000052826450 488182979 /nfs/dbraw/zinc/18/29/79/488182979.db2.gz RGBVUGIEPWQIFS-INIZCTEOSA-N 2 2 354.495 0.189 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](CC(N)=O)C2CCCC2)C1 ZINC000052826450 488182982 /nfs/dbraw/zinc/18/29/82/488182982.db2.gz RGBVUGIEPWQIFS-INIZCTEOSA-N 2 2 354.495 0.189 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](CC(N)=O)C2CCCC2)C1 ZINC000052826450 488182986 /nfs/dbraw/zinc/18/29/86/488182986.db2.gz RGBVUGIEPWQIFS-INIZCTEOSA-N 2 2 354.495 0.189 10 0 FCAELP Cc1cc(N2CCN(C(=O)C[N@@H+]3CCNC(=O)CC3)CC2)nc(C(C)C)[nH+]1 ZINC000065954831 488323642 /nfs/dbraw/zinc/32/36/42/488323642.db2.gz NJRJZHKDQAIWHO-UHFFFAOYSA-N 2 2 374.489 0.379 10 0 FCAELP Cc1cc(N2CCN(C(=O)C[N@H+]3CCNC(=O)CC3)CC2)nc(C(C)C)[nH+]1 ZINC000065954831 488323644 /nfs/dbraw/zinc/32/36/44/488323644.db2.gz NJRJZHKDQAIWHO-UHFFFAOYSA-N 2 2 374.489 0.379 10 0 FCAELP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000069262710 488371887 /nfs/dbraw/zinc/37/18/87/488371887.db2.gz XFOGZIZMFHRTSW-DLBZAZTESA-N 2 2 366.506 0.158 10 0 FCAELP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000069262710 488371888 /nfs/dbraw/zinc/37/18/88/488371888.db2.gz XFOGZIZMFHRTSW-DLBZAZTESA-N 2 2 366.506 0.158 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@]3(CNC(=O)C3)C2)C1 ZINC000072829987 488382974 /nfs/dbraw/zinc/38/29/74/488382974.db2.gz GWJFTCAVOXCCHL-VQIMIIECSA-N 2 2 366.506 0.062 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@]3(CNC(=O)C3)C2)C1 ZINC000072829987 488382975 /nfs/dbraw/zinc/38/29/75/488382975.db2.gz GWJFTCAVOXCCHL-VQIMIIECSA-N 2 2 366.506 0.062 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@@]3(CNC(=O)C3)C2)C1 ZINC000072829987 488382976 /nfs/dbraw/zinc/38/29/76/488382976.db2.gz GWJFTCAVOXCCHL-VQIMIIECSA-N 2 2 366.506 0.062 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@@]3(CNC(=O)C3)C2)C1 ZINC000072829987 488382977 /nfs/dbraw/zinc/38/29/77/488382977.db2.gz GWJFTCAVOXCCHL-VQIMIIECSA-N 2 2 366.506 0.062 10 0 FCAELP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000073653514 488385817 /nfs/dbraw/zinc/38/58/17/488385817.db2.gz KCEDBAOHTWSSLY-CABCVRRESA-N 2 2 353.511 0.711 10 0 FCAELP C[NH+]1CCN(C(=O)C[NH2+][C@H](CO)c2cccc(Br)c2)CC1 ZINC000183911413 488394428 /nfs/dbraw/zinc/39/44/28/488394428.db2.gz OHRZTQKQDUTKQD-CQSZACIVSA-N 2 2 356.264 0.846 10 0 FCAELP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCCC[NH+]1CCOCC1 ZINC000185577660 488401659 /nfs/dbraw/zinc/40/16/59/488401659.db2.gz YYZGQCZITAZZEL-QGZVFWFLSA-N 2 2 355.527 0.424 10 0 FCAELP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCCCC[NH+]1CCOCC1 ZINC000185577660 488401660 /nfs/dbraw/zinc/40/16/60/488401660.db2.gz YYZGQCZITAZZEL-QGZVFWFLSA-N 2 2 355.527 0.424 10 0 FCAELP O=C(NC[C@H](O)C[NH+]1CCCCC1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000193941484 488430246 /nfs/dbraw/zinc/43/02/46/488430246.db2.gz NBMABMCBGBXACI-KRWDZBQOSA-N 2 2 371.441 0.774 10 0 FCAELP O=C(NC[C@@H](O)C[NH+]1CCCCC1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000193941498 488430309 /nfs/dbraw/zinc/43/03/09/488430309.db2.gz NBMABMCBGBXACI-QGZVFWFLSA-N 2 2 371.441 0.774 10 0 FCAELP Cc1[nH+]ccn1CCCCNC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000268611898 488435883 /nfs/dbraw/zinc/43/58/83/488435883.db2.gz HPRZDHOTRYHDPF-UHFFFAOYSA-N 2 2 364.494 0.777 10 0 FCAELP C[C@@H](O)C[NH+]1CCC(CN(C)c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC1 ZINC000246492611 488473539 /nfs/dbraw/zinc/47/35/39/488473539.db2.gz AMPAJJIAPKWGBK-WBVHZDCISA-N 2 2 363.506 0.967 10 0 FCAELP C[C@@H](O)C[NH+]1CCC(CN(C)c2cc(N3CCC[C@H]3CO)nc[nH+]2)CC1 ZINC000246492611 488473541 /nfs/dbraw/zinc/47/35/41/488473541.db2.gz AMPAJJIAPKWGBK-WBVHZDCISA-N 2 2 363.506 0.967 10 0 FCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000246853142 488476696 /nfs/dbraw/zinc/47/66/96/488476696.db2.gz CGYDIMKVEQDAQO-KBMXLJTQSA-N 2 2 368.503 0.690 10 0 FCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000246853142 488476701 /nfs/dbraw/zinc/47/67/01/488476701.db2.gz CGYDIMKVEQDAQO-KBMXLJTQSA-N 2 2 368.503 0.690 10 0 FCAELP CC[C@H]1CN(C(=O)NC2CC[NH+](CCN(C)C)CC2)CC[N@@H+]1C[C@H](C)O ZINC000248445940 488496797 /nfs/dbraw/zinc/49/67/97/488496797.db2.gz FKVJPYJOQGVVMC-WMZOPIPTSA-N 2 2 369.554 0.499 10 0 FCAELP CC[C@@H]1CN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC[N@@H+]1C[C@H](C)O ZINC000248459989 488497016 /nfs/dbraw/zinc/49/70/16/488497016.db2.gz RYMZSCNWJGMFKU-RCCFBDPRSA-N 2 2 370.538 0.830 10 0 FCAELP CC[C@@H]1CN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC[N@H+]1C[C@H](C)O ZINC000248459989 488497017 /nfs/dbraw/zinc/49/70/17/488497017.db2.gz RYMZSCNWJGMFKU-RCCFBDPRSA-N 2 2 370.538 0.830 10 0 FCAELP C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C[C@H]1C ZINC000248599488 488498931 /nfs/dbraw/zinc/49/89/31/488498931.db2.gz ITDVDIYSDSQVFL-CABCVRRESA-N 2 2 358.446 0.864 10 0 FCAELP C[C@H](O)C[N@H+]1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C[C@H]1C ZINC000248599488 488498933 /nfs/dbraw/zinc/49/89/33/488498933.db2.gz ITDVDIYSDSQVFL-CABCVRRESA-N 2 2 358.446 0.864 10 0 FCAELP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CC[NH+](CCO)[C@@H](C)C3)c2C1 ZINC000249562068 488512176 /nfs/dbraw/zinc/51/21/76/488512176.db2.gz LVTZQCRGNRUVOH-HNNXBMFYSA-N 2 2 374.485 0.876 10 0 FCAELP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CC[NH+](CCO)[C@@H](C)C3)c2C1 ZINC000249562068 488512179 /nfs/dbraw/zinc/51/21/79/488512179.db2.gz LVTZQCRGNRUVOH-HNNXBMFYSA-N 2 2 374.485 0.876 10 0 FCAELP CCC[NH+]1Cc2cccc(NC(=O)C(=O)N3CC[N@H+](CCO)[C@@H](C)C3)c2C1 ZINC000249562068 488512181 /nfs/dbraw/zinc/51/21/81/488512181.db2.gz LVTZQCRGNRUVOH-HNNXBMFYSA-N 2 2 374.485 0.876 10 0 FCAELP CCC[NH+]1Cc2cccc(NC(=O)C(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)c2C1 ZINC000249562068 488512184 /nfs/dbraw/zinc/51/21/84/488512184.db2.gz LVTZQCRGNRUVOH-HNNXBMFYSA-N 2 2 374.485 0.876 10 0 FCAELP [NH3+][C@H](C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)C1CCOCC1 ZINC000261788736 488536102 /nfs/dbraw/zinc/53/61/02/488536102.db2.gz NLRITAVTWBHUAV-IBGZPJMESA-N 2 2 374.485 0.960 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)NCCCC[N@@H+]3CCC[C@H]3CO)ccc2[nH+]1 ZINC000271669009 488537080 /nfs/dbraw/zinc/53/70/80/488537080.db2.gz PSLCGKPZEZKQHJ-INIZCTEOSA-N 2 2 373.457 0.934 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)NCCCC[N@H+]3CCC[C@H]3CO)ccc2[nH+]1 ZINC000271669009 488537081 /nfs/dbraw/zinc/53/70/81/488537081.db2.gz PSLCGKPZEZKQHJ-INIZCTEOSA-N 2 2 373.457 0.934 10 0 FCAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000113620192 488538520 /nfs/dbraw/zinc/53/85/20/488538520.db2.gz CYYHONHRVIBGIX-GDBMZVCRSA-N 2 2 372.535 0.374 10 0 FCAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000113620192 488538523 /nfs/dbraw/zinc/53/85/23/488538523.db2.gz CYYHONHRVIBGIX-GDBMZVCRSA-N 2 2 372.535 0.374 10 0 FCAELP CCOCC[N@@H+]1CCN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C[C@H]1CC ZINC000117047306 488550263 /nfs/dbraw/zinc/55/02/63/488550263.db2.gz UWQJJPCBPILGJJ-ZWKOTPCHSA-N 2 2 369.554 0.765 10 0 FCAELP CCOCC[N@@H+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)C[C@H]1CC ZINC000117047306 488550266 /nfs/dbraw/zinc/55/02/66/488550266.db2.gz UWQJJPCBPILGJJ-ZWKOTPCHSA-N 2 2 369.554 0.765 10 0 FCAELP CCOCC[N@H+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)C[C@H]1CC ZINC000117047306 488550268 /nfs/dbraw/zinc/55/02/68/488550268.db2.gz UWQJJPCBPILGJJ-ZWKOTPCHSA-N 2 2 369.554 0.765 10 0 FCAELP CN1C(=O)NC2(CC[NH+](C[C@@H](O)C[N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000119489091 488556910 /nfs/dbraw/zinc/55/69/10/488556910.db2.gz CASGKMAOUYPJIP-INIZCTEOSA-N 2 2 360.458 0.496 10 0 FCAELP CN1C(=O)NC2(CC[NH+](C[C@@H](O)C[N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000119489091 488556913 /nfs/dbraw/zinc/55/69/13/488556913.db2.gz CASGKMAOUYPJIP-INIZCTEOSA-N 2 2 360.458 0.496 10 0 FCAELP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262676985 488585995 /nfs/dbraw/zinc/58/59/95/488585995.db2.gz SUDNTJJJEYRUDF-BMFZPTHFSA-N 2 2 357.520 0.532 10 0 FCAELP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)CC2)C1 ZINC000263302776 488609370 /nfs/dbraw/zinc/60/93/70/488609370.db2.gz XHFNFGRLGDTWSL-LSDHHAIUSA-N 2 2 360.449 0.237 10 0 FCAELP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)CC2)C1 ZINC000263302776 488609371 /nfs/dbraw/zinc/60/93/71/488609371.db2.gz XHFNFGRLGDTWSL-LSDHHAIUSA-N 2 2 360.449 0.237 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)CC1 ZINC000136071257 488675615 /nfs/dbraw/zinc/67/56/15/488675615.db2.gz AJCKXEPHTDGMQQ-MOPGFXCFSA-N 3 2 365.566 0.641 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)CC1 ZINC000136071257 488675618 /nfs/dbraw/zinc/67/56/18/488675618.db2.gz AJCKXEPHTDGMQQ-MOPGFXCFSA-N 3 2 365.566 0.641 10 0 FCAELP CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)CC1 ZINC000136071257 488675621 /nfs/dbraw/zinc/67/56/21/488675621.db2.gz AJCKXEPHTDGMQQ-MOPGFXCFSA-N 2 2 365.566 0.641 10 0 FCAELP CCN1CCN(C(=O)[C@@H](C)[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)CC1 ZINC000136071257 488675622 /nfs/dbraw/zinc/67/56/22/488675622.db2.gz AJCKXEPHTDGMQQ-MOPGFXCFSA-N 2 2 365.566 0.641 10 0 FCAELP C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000155174856 488752429 /nfs/dbraw/zinc/75/24/29/488752429.db2.gz PLTYHUXSEHDITB-HIFRSBDPSA-N 2 2 368.503 0.366 10 0 FCAELP O=C(C[NH+]1CCC(n2cncn2)CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000156549993 488765864 /nfs/dbraw/zinc/76/58/64/488765864.db2.gz RMOGJBVOEHOGTO-UHFFFAOYSA-N 2 2 358.446 0.852 10 0 FCAELP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@@H]2CCC[N@H+]2C)CC1 ZINC000157660942 488772901 /nfs/dbraw/zinc/77/29/01/488772901.db2.gz WMZCZJWBCQLTDA-HNNXBMFYSA-N 2 2 355.508 0.863 10 0 FCAELP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000157660942 488772903 /nfs/dbraw/zinc/77/29/03/488772903.db2.gz WMZCZJWBCQLTDA-HNNXBMFYSA-N 2 2 355.508 0.863 10 0 FCAELP C[C@@H]([NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)c1cn[nH]c1 ZINC000275220896 488774215 /nfs/dbraw/zinc/77/42/15/488774215.db2.gz UKTKJIVRPMSQSL-GFCCVEGCSA-N 2 2 369.433 0.086 10 0 FCAELP CC[N@@H+]1CC[C@@H](CNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000158273524 488777098 /nfs/dbraw/zinc/77/70/98/488777098.db2.gz HBTSOJODICQECO-KRWDZBQOSA-N 2 2 373.501 0.968 10 0 FCAELP CC[N@H+]1CC[C@@H](CNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000158273524 488777101 /nfs/dbraw/zinc/77/71/01/488777101.db2.gz HBTSOJODICQECO-KRWDZBQOSA-N 2 2 373.501 0.968 10 0 FCAELP CNC(=O)[C@H]1CCCC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000170910533 488817616 /nfs/dbraw/zinc/81/76/16/488817616.db2.gz RYXCLKZBFBQQHJ-HZPDHXFCSA-N 2 2 354.495 0.060 10 0 FCAELP CNC(=O)[C@H]1CCCC[N@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000170910533 488817617 /nfs/dbraw/zinc/81/76/17/488817617.db2.gz RYXCLKZBFBQQHJ-HZPDHXFCSA-N 2 2 354.495 0.060 10 0 FCAELP CNC(=O)[C@H]1CCCC[NH+]1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000170910533 488817619 /nfs/dbraw/zinc/81/76/19/488817619.db2.gz RYXCLKZBFBQQHJ-HZPDHXFCSA-N 2 2 354.495 0.060 10 0 FCAELP CNC(=O)[C@H]1CCCC[NH+]1CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000170910533 488817620 /nfs/dbraw/zinc/81/76/20/488817620.db2.gz RYXCLKZBFBQQHJ-HZPDHXFCSA-N 2 2 354.495 0.060 10 0 FCAELP CC(C)(CNC(=O)C[N@@H+]1CCC[C@H](Cn2cncn2)C1)[NH+]1CCOCC1 ZINC000171503884 488823707 /nfs/dbraw/zinc/82/37/07/488823707.db2.gz ZKXAMIMOVJWZHL-INIZCTEOSA-N 2 2 364.494 0.217 10 0 FCAELP CC(C)(CNC(=O)C[N@H+]1CCC[C@H](Cn2cncn2)C1)[NH+]1CCOCC1 ZINC000171503884 488823708 /nfs/dbraw/zinc/82/37/08/488823708.db2.gz ZKXAMIMOVJWZHL-INIZCTEOSA-N 2 2 364.494 0.217 10 0 FCAELP CCn1cc(C[N@@H+]2CCCN(C(=O)NC[C@H]3C[NH+](C)CCO3)CC2)cn1 ZINC000171853614 488827477 /nfs/dbraw/zinc/82/74/77/488827477.db2.gz AVRQBZRZEALWAB-KRWDZBQOSA-N 2 2 364.494 0.451 10 0 FCAELP CCn1cc(C[N@H+]2CCCN(C(=O)NC[C@H]3C[NH+](C)CCO3)CC2)cn1 ZINC000171853614 488827479 /nfs/dbraw/zinc/82/74/79/488827479.db2.gz AVRQBZRZEALWAB-KRWDZBQOSA-N 2 2 364.494 0.451 10 0 FCAELP CCn1cc(C[NH+]2CCCN(C(=O)NC[C@H]3C[N@H+](C)CCO3)CC2)cn1 ZINC000171853614 488827481 /nfs/dbraw/zinc/82/74/81/488827481.db2.gz AVRQBZRZEALWAB-KRWDZBQOSA-N 2 2 364.494 0.451 10 0 FCAELP CCn1cc(C[NH+]2CCCN(C(=O)NC[C@H]3C[N@@H+](C)CCO3)CC2)cn1 ZINC000171853614 488827483 /nfs/dbraw/zinc/82/74/83/488827483.db2.gz AVRQBZRZEALWAB-KRWDZBQOSA-N 2 2 364.494 0.451 10 0 FCAELP Cc1cc(NC(=O)C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)no1 ZINC000172850133 488838796 /nfs/dbraw/zinc/83/87/96/488838796.db2.gz YCVXPFFVBHOEMR-UHFFFAOYSA-N 2 2 363.462 0.988 10 0 FCAELP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000563160133 491223908 /nfs/dbraw/zinc/22/39/08/491223908.db2.gz KZHYBYDAVOWTNB-KRWDZBQOSA-N 2 2 366.893 0.914 10 0 FCAELP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000563160133 491223909 /nfs/dbraw/zinc/22/39/09/491223909.db2.gz KZHYBYDAVOWTNB-KRWDZBQOSA-N 2 2 366.893 0.914 10 0 FCAELP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C[C@H](C)O1 ZINC000173772707 488845221 /nfs/dbraw/zinc/84/52/21/488845221.db2.gz HFRFDKJGFZDYSH-BBWFWOEESA-N 2 2 354.495 0.602 10 0 FCAELP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C[C@H](C)O1 ZINC000173772707 488845222 /nfs/dbraw/zinc/84/52/22/488845222.db2.gz HFRFDKJGFZDYSH-BBWFWOEESA-N 2 2 354.495 0.602 10 0 FCAELP CN(CC(=O)N1CCOCC1)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173875173 488846004 /nfs/dbraw/zinc/84/60/04/488846004.db2.gz YOJRNCPUCWSUIM-KRWDZBQOSA-N 2 2 366.506 0.111 10 0 FCAELP CN(CC(=O)N1CCOCC1)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173875173 488846005 /nfs/dbraw/zinc/84/60/05/488846005.db2.gz YOJRNCPUCWSUIM-KRWDZBQOSA-N 2 2 366.506 0.111 10 0 FCAELP C[C@H](CNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)[NH+]1CCOCC1 ZINC000174590820 488849923 /nfs/dbraw/zinc/84/99/23/488849923.db2.gz DLPTZELYNIAQOT-QGZVFWFLSA-N 2 2 360.502 0.885 10 0 FCAELP C[NH+]1CCC(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)([NH+]2CCCCC2)CC1 ZINC000174748351 488850813 /nfs/dbraw/zinc/85/08/13/488850813.db2.gz NCRCUEVYZLKUEY-KRWDZBQOSA-N 3 2 367.538 0.567 10 0 FCAELP C[NH+]1CCC(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)([NH+]2CCCCC2)CC1 ZINC000174748351 488850814 /nfs/dbraw/zinc/85/08/14/488850814.db2.gz NCRCUEVYZLKUEY-KRWDZBQOSA-N 3 2 367.538 0.567 10 0 FCAELP CCc1nc2n(n1)C[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)CC2 ZINC000175769371 488855513 /nfs/dbraw/zinc/85/55/13/488855513.db2.gz LQCUBQFRSIPDNO-CQSZACIVSA-N 2 2 363.510 0.481 10 0 FCAELP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)CC1 ZINC000175817884 488855880 /nfs/dbraw/zinc/85/58/80/488855880.db2.gz ZVBZENUCTWBYAS-MRXNPFEDSA-N 2 2 362.478 0.576 10 0 FCAELP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000176095927 488857273 /nfs/dbraw/zinc/85/72/73/488857273.db2.gz PVYKQCDHSORNNY-QGZVFWFLSA-N 2 2 374.485 0.928 10 0 FCAELP CCN1CC[NH+](CCCCNC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000180755379 488862304 /nfs/dbraw/zinc/86/23/04/488862304.db2.gz LLKGEKUCSIIPBK-ZWKOTPCHSA-N 2 2 369.554 0.501 10 0 FCAELP CCN1CC[NH+](CCCCNC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000180755379 488862305 /nfs/dbraw/zinc/86/23/05/488862305.db2.gz LLKGEKUCSIIPBK-ZWKOTPCHSA-N 2 2 369.554 0.501 10 0 FCAELP CC[NH+]1CCN(CCCCNC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000180755379 488862306 /nfs/dbraw/zinc/86/23/06/488862306.db2.gz LLKGEKUCSIIPBK-ZWKOTPCHSA-N 2 2 369.554 0.501 10 0 FCAELP CC[NH+]1CCN(CCCCNC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000180755379 488862307 /nfs/dbraw/zinc/86/23/07/488862307.db2.gz LLKGEKUCSIIPBK-ZWKOTPCHSA-N 2 2 369.554 0.501 10 0 FCAELP COCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000288448649 488981951 /nfs/dbraw/zinc/98/19/51/488981951.db2.gz OXRDQTQNXFPMOY-ROUUACIJSA-N 2 2 374.485 0.339 10 0 FCAELP COCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000288448649 488981954 /nfs/dbraw/zinc/98/19/54/488981954.db2.gz OXRDQTQNXFPMOY-ROUUACIJSA-N 2 2 374.485 0.339 10 0 FCAELP CN(Cc1[nH+]ccn1C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000288557095 488992139 /nfs/dbraw/zinc/99/21/39/488992139.db2.gz ZJIJEQTUIOVOMJ-DOTOQJQBSA-N 2 2 355.442 0.940 10 0 FCAELP CN(Cc1[nH+]ccn1C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000288557095 488992142 /nfs/dbraw/zinc/99/21/42/488992142.db2.gz ZJIJEQTUIOVOMJ-DOTOQJQBSA-N 2 2 355.442 0.940 10 0 FCAELP O=C(C[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1)N1CCNC(=O)C1 ZINC000289397531 489064154 /nfs/dbraw/zinc/06/41/54/489064154.db2.gz RSVZWELVAMCLEZ-HNNXBMFYSA-N 2 2 373.457 0.093 10 0 FCAELP O=C(C[N@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1)N1CCNC(=O)C1 ZINC000289397531 489064156 /nfs/dbraw/zinc/06/41/56/489064156.db2.gz RSVZWELVAMCLEZ-HNNXBMFYSA-N 2 2 373.457 0.093 10 0 FCAELP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000365366497 489068078 /nfs/dbraw/zinc/06/80/78/489068078.db2.gz BXCAXLGQNQOXGS-AWEZNQCLSA-N 2 2 367.494 0.097 10 0 FCAELP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1)c1ccccc1 ZINC000289503024 489071795 /nfs/dbraw/zinc/07/17/95/489071795.db2.gz UJCYQHGVGPLDMT-CVEARBPZSA-N 2 2 372.473 0.697 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H]([NH+](C)C)CC2)C1 ZINC000365405173 489072398 /nfs/dbraw/zinc/07/23/98/489072398.db2.gz RUHMNPFRBUBRNL-QZTJIDSGSA-N 3 2 354.539 0.876 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H]([NH+](C)C)CC2)C1 ZINC000365405173 489072400 /nfs/dbraw/zinc/07/24/00/489072400.db2.gz RUHMNPFRBUBRNL-QZTJIDSGSA-N 3 2 354.539 0.876 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)C1 ZINC000365405173 489072403 /nfs/dbraw/zinc/07/24/03/489072403.db2.gz RUHMNPFRBUBRNL-QZTJIDSGSA-N 3 2 354.539 0.876 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)C1 ZINC000365405173 489072407 /nfs/dbraw/zinc/07/24/07/489072407.db2.gz RUHMNPFRBUBRNL-QZTJIDSGSA-N 3 2 354.539 0.876 10 0 FCAELP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000570306291 491232235 /nfs/dbraw/zinc/23/22/35/491232235.db2.gz JHINJCFKNGCMFL-MSOLQXFVSA-N 2 2 368.547 0.979 10 0 FCAELP COC(C)(C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000330644306 489126820 /nfs/dbraw/zinc/12/68/20/489126820.db2.gz KIJNTHYSDUMMPM-UHFFFAOYSA-N 2 2 354.495 0.108 10 0 FCAELP O=C(CN1C(=O)CCC1=O)N1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000563271252 491234670 /nfs/dbraw/zinc/23/46/70/491234670.db2.gz OHNIGAVQZHQMNM-UHFFFAOYSA-N 2 2 370.453 0.126 10 0 FCAELP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C(=O)N(C)C ZINC000370017755 489303988 /nfs/dbraw/zinc/30/39/88/489303988.db2.gz HDQAPMYVACLFII-LSDHHAIUSA-N 2 2 361.490 0.992 10 0 FCAELP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C(=O)N(C)C ZINC000370017755 489303991 /nfs/dbraw/zinc/30/39/91/489303991.db2.gz HDQAPMYVACLFII-LSDHHAIUSA-N 2 2 361.490 0.992 10 0 FCAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000570675529 491257244 /nfs/dbraw/zinc/25/72/44/491257244.db2.gz PFPALFUZXOEIOH-CABCVRRESA-N 2 2 352.431 0.855 10 0 FCAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000570675529 491257245 /nfs/dbraw/zinc/25/72/45/491257245.db2.gz PFPALFUZXOEIOH-CABCVRRESA-N 2 2 352.431 0.855 10 0 FCAELP NC(=O)NC(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000299583546 489458486 /nfs/dbraw/zinc/45/84/86/489458486.db2.gz RRECSHHHELNWPJ-OAHLLOKOSA-N 2 2 360.462 0.111 10 0 FCAELP NC(=O)NC(=O)C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000299583546 489458490 /nfs/dbraw/zinc/45/84/90/489458490.db2.gz RRECSHHHELNWPJ-OAHLLOKOSA-N 2 2 360.462 0.111 10 0 FCAELP COc1cc[nH+]c(N2CC[NH+](CC(=O)N3CCOC[C@H]3C3CC3)CC2)c1 ZINC000371383373 489482231 /nfs/dbraw/zinc/48/22/31/489482231.db2.gz DXNNPDYLDZKUGB-KRWDZBQOSA-N 2 2 360.458 0.850 10 0 FCAELP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000423252052 489507135 /nfs/dbraw/zinc/50/71/35/489507135.db2.gz SZDCFAYJDSIIHN-IAGOWNOFSA-N 2 2 366.506 0.158 10 0 FCAELP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)s1 ZINC000423254075 489507836 /nfs/dbraw/zinc/50/78/36/489507836.db2.gz WYEYWHFJGVCRGI-AWEZNQCLSA-N 2 2 364.515 0.904 10 0 FCAELP C[C@@H]([NH3+])c1ccc(CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000415192875 489513042 /nfs/dbraw/zinc/51/30/42/489513042.db2.gz VPRXJDQKCCPWHM-OAHLLOKOSA-N 2 2 372.473 1.557 10 0 FCAELP C[NH2+]C1CCN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000423302008 489513463 /nfs/dbraw/zinc/51/34/63/489513463.db2.gz UZCKVLGVCWQFNR-MRXNPFEDSA-N 2 2 358.486 0.930 10 0 FCAELP C[NH2+]C1CCN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000423302008 489513465 /nfs/dbraw/zinc/51/34/65/489513465.db2.gz UZCKVLGVCWQFNR-MRXNPFEDSA-N 2 2 358.486 0.930 10 0 FCAELP COC[C@@H](CCO)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000371841881 489517173 /nfs/dbraw/zinc/51/71/73/489517173.db2.gz CUSVTGPXWIXKOG-MRXNPFEDSA-N 2 2 356.511 0.633 10 0 FCAELP O=C(Nc1ccccc1C[NH+]1CCOCC1)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000415762209 489550813 /nfs/dbraw/zinc/55/08/13/489550813.db2.gz HFAVBLSOVFZOMB-SJORKVTESA-N 2 2 372.469 0.668 10 0 FCAELP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000416291767 489577378 /nfs/dbraw/zinc/57/73/78/489577378.db2.gz IBTNOSSSAFJWMM-IAGOWNOFSA-N 2 2 361.490 0.117 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000416291767 489577381 /nfs/dbraw/zinc/57/73/81/489577381.db2.gz IBTNOSSSAFJWMM-IAGOWNOFSA-N 2 2 361.490 0.117 10 0 FCAELP C[C@H](C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1)[NH+]1CCN(C)CC1 ZINC000427142972 489596384 /nfs/dbraw/zinc/59/63/84/489596384.db2.gz LFDKKQTUUDTWOW-MSOLQXFVSA-N 2 2 352.523 0.726 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)C1 ZINC000372751246 489633480 /nfs/dbraw/zinc/63/34/80/489633480.db2.gz PDVAHLVIPCNTFY-UIBIWLFHSA-N 2 2 366.506 0.045 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)C1 ZINC000372751246 489633484 /nfs/dbraw/zinc/63/34/84/489633484.db2.gz PDVAHLVIPCNTFY-UIBIWLFHSA-N 2 2 366.506 0.045 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)C1 ZINC000372751246 489633487 /nfs/dbraw/zinc/63/34/87/489633487.db2.gz PDVAHLVIPCNTFY-UIBIWLFHSA-N 2 2 366.506 0.045 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)C1 ZINC000372751246 489633489 /nfs/dbraw/zinc/63/34/89/489633489.db2.gz PDVAHLVIPCNTFY-UIBIWLFHSA-N 2 2 366.506 0.045 10 0 FCAELP CC[C@H](COC)[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000372817613 489639329 /nfs/dbraw/zinc/63/93/29/489639329.db2.gz IHWCFPDDJRRPPL-HZPDHXFCSA-N 2 2 363.506 0.848 10 0 FCAELP O=C(NCCC[C@@H]1CCC[NH2+]1)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000417703277 489661704 /nfs/dbraw/zinc/66/17/04/489661704.db2.gz JXSNLLWPPFUZEH-KRWDZBQOSA-N 2 2 365.522 0.762 10 0 FCAELP CCCN(C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000417711510 489662483 /nfs/dbraw/zinc/66/24/83/489662483.db2.gz PWRQGWMUIBBRFB-KRWDZBQOSA-N 2 2 365.522 0.714 10 0 FCAELP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H](c4ccnc(N)n4)C3)cn2)CC1 ZINC000375076284 489710592 /nfs/dbraw/zinc/71/05/92/489710592.db2.gz YDLIGPONSGCGRJ-MRXNPFEDSA-N 2 2 368.489 0.980 10 0 FCAELP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H](c4ccnc(N)n4)C3)cn2)CC1 ZINC000375076284 489710596 /nfs/dbraw/zinc/71/05/96/489710596.db2.gz YDLIGPONSGCGRJ-MRXNPFEDSA-N 2 2 368.489 0.980 10 0 FCAELP COCC1(CNC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)CC[NH2+]CC1 ZINC000418649259 489715327 /nfs/dbraw/zinc/71/53/27/489715327.db2.gz URJSZVGLDMUHQQ-UHFFFAOYSA-N 2 2 362.478 0.633 10 0 FCAELP CC(C)C[C@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)C(=O)NCC[NH+](C)C ZINC000430253384 489727298 /nfs/dbraw/zinc/72/72/98/489727298.db2.gz DWIHDCCFZNPRPX-CABCVRRESA-N 2 2 364.494 0.590 10 0 FCAELP O=C(CC[NH2+]Cc1cn2cccnc2n1)N1CCN(c2cccc[nH+]2)CC1 ZINC000459384073 489730561 /nfs/dbraw/zinc/73/05/61/489730561.db2.gz CLSZEBYIZUNMGJ-UHFFFAOYSA-N 2 2 365.441 0.953 10 0 FCAELP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000418813235 489734667 /nfs/dbraw/zinc/73/46/67/489734667.db2.gz YJGNRUVMPYIBRR-OLZOCXBDSA-N 2 2 366.412 0.524 10 0 FCAELP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000418813235 489734669 /nfs/dbraw/zinc/73/46/69/489734669.db2.gz YJGNRUVMPYIBRR-OLZOCXBDSA-N 2 2 366.412 0.524 10 0 FCAELP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000418813236 489734831 /nfs/dbraw/zinc/73/48/31/489734831.db2.gz YJGNRUVMPYIBRR-QWHCGFSZSA-N 2 2 366.412 0.524 10 0 FCAELP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000418813236 489734834 /nfs/dbraw/zinc/73/48/34/489734834.db2.gz YJGNRUVMPYIBRR-QWHCGFSZSA-N 2 2 366.412 0.524 10 0 FCAELP COCC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCOC1 ZINC000490056459 489743268 /nfs/dbraw/zinc/74/32/68/489743268.db2.gz GMQQQXBKEARTFU-QGZVFWFLSA-N 2 2 362.474 0.858 10 0 FCAELP COCC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCOC1 ZINC000490056459 489743272 /nfs/dbraw/zinc/74/32/72/489743272.db2.gz GMQQQXBKEARTFU-QGZVFWFLSA-N 2 2 362.474 0.858 10 0 FCAELP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000570962429 491276746 /nfs/dbraw/zinc/27/67/46/491276746.db2.gz CKBHYRMVOFHMMD-NJAFHUGGSA-N 2 2 374.485 0.385 10 0 FCAELP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000570962429 491276747 /nfs/dbraw/zinc/27/67/47/491276747.db2.gz CKBHYRMVOFHMMD-NJAFHUGGSA-N 2 2 374.485 0.385 10 0 FCAELP C[C@@H]1COCC[NH+]1CCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000570962429 491276748 /nfs/dbraw/zinc/27/67/48/491276748.db2.gz CKBHYRMVOFHMMD-NJAFHUGGSA-N 2 2 374.485 0.385 10 0 FCAELP C[C@@H]1COCC[NH+]1CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000570962429 491276749 /nfs/dbraw/zinc/27/67/49/491276749.db2.gz CKBHYRMVOFHMMD-NJAFHUGGSA-N 2 2 374.485 0.385 10 0 FCAELP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH2+]C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000418864289 489763547 /nfs/dbraw/zinc/76/35/47/489763547.db2.gz IVISZNDSMYHYLC-UKRRQHHQSA-N 2 2 372.391 0.691 10 0 FCAELP CC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH2+]C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000418864289 489763552 /nfs/dbraw/zinc/76/35/52/489763552.db2.gz IVISZNDSMYHYLC-UKRRQHHQSA-N 2 2 372.391 0.691 10 0 FCAELP C[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000418871872 489767461 /nfs/dbraw/zinc/76/74/61/489767461.db2.gz VGHQGCLSJAGUMP-CVEARBPZSA-N 2 2 368.428 0.940 10 0 FCAELP C[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000418871872 489767465 /nfs/dbraw/zinc/76/74/65/489767465.db2.gz VGHQGCLSJAGUMP-CVEARBPZSA-N 2 2 368.428 0.940 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2C[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000418904060 489782900 /nfs/dbraw/zinc/78/29/00/489782900.db2.gz INCVRKGEAYMSAW-LSDHHAIUSA-N 2 2 368.840 0.676 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)NCC2C[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000418904060 489782905 /nfs/dbraw/zinc/78/29/05/489782905.db2.gz INCVRKGEAYMSAW-LSDHHAIUSA-N 2 2 368.840 0.676 10 0 FCAELP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418905279 489784415 /nfs/dbraw/zinc/78/44/15/489784415.db2.gz JWYCOYGYBJVDQC-OWCLPIDISA-N 2 2 368.428 0.926 10 0 FCAELP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418905279 489784419 /nfs/dbraw/zinc/78/44/19/489784419.db2.gz JWYCOYGYBJVDQC-OWCLPIDISA-N 2 2 368.428 0.926 10 0 FCAELP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418905275 489784590 /nfs/dbraw/zinc/78/45/90/489784590.db2.gz JWYCOYGYBJVDQC-BZUAXINKSA-N 2 2 368.428 0.926 10 0 FCAELP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418905275 489784591 /nfs/dbraw/zinc/78/45/91/489784591.db2.gz JWYCOYGYBJVDQC-BZUAXINKSA-N 2 2 368.428 0.926 10 0 FCAELP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418913681 489789036 /nfs/dbraw/zinc/78/90/36/489789036.db2.gz SRGLSKCLNJEZRI-KMUNFCNLSA-N 2 2 354.401 0.537 10 0 FCAELP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418913681 489789040 /nfs/dbraw/zinc/78/90/40/489789040.db2.gz SRGLSKCLNJEZRI-KMUNFCNLSA-N 2 2 354.401 0.537 10 0 FCAELP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000418916141 489790085 /nfs/dbraw/zinc/79/00/85/489790085.db2.gz WHDLTTWVSJRVPL-FZQKWOKYSA-N 2 2 356.829 0.804 10 0 FCAELP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000418916141 489790087 /nfs/dbraw/zinc/79/00/87/489790087.db2.gz 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CKKWGZZIYCVLGF-WBVHZDCISA-N 2 2 361.490 0.948 10 0 FCAELP COc1cccc(N2CCC[C@@H](NC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])C2)c1 ZINC000519591614 490977939 /nfs/dbraw/zinc/97/79/39/490977939.db2.gz CKKWGZZIYCVLGF-WBVHZDCISA-N 2 2 361.490 0.948 10 0 FCAELP COCC[C@H](C)NC(=O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000557333880 491368179 /nfs/dbraw/zinc/36/81/79/491368179.db2.gz TUIPFZHJKBVBRT-INIZCTEOSA-N 2 2 368.522 0.594 10 0 FCAELP COC(=O)CCN1CCC[C@@H]([N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000595325314 491919390 /nfs/dbraw/zinc/91/93/90/491919390.db2.gz FSDFMOSWJGYXSQ-JKSUJKDBSA-N 2 2 353.463 0.195 10 0 FCAELP COC(=O)CCN1CCC[C@@H]([N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000595325314 491919391 /nfs/dbraw/zinc/91/93/91/491919391.db2.gz FSDFMOSWJGYXSQ-JKSUJKDBSA-N 2 2 353.463 0.195 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCN(c3[nH]cc[nH+]3)CC2)C1 ZINC000569496192 491164471 /nfs/dbraw/zinc/16/44/71/491164471.db2.gz OLMJLCZINOUEAW-INIZCTEOSA-N 2 2 364.494 0.005 10 0 FCAELP 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ZINC000668361118 493340304 /nfs/dbraw/zinc/34/03/04/493340304.db2.gz SEYOWIRERGEXBA-OAHLLOKOSA-N 2 2 354.495 0.156 10 0 FCAELP CC[NH+]1CCC(CCNC(=O)C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000558112155 491414651 /nfs/dbraw/zinc/41/46/51/491414651.db2.gz HNRGZDBHGOZDEY-HNNXBMFYSA-N 2 2 354.495 0.062 10 0 FCAELP CC[NH+]1CCC(CCNC(=O)C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000558112155 491414652 /nfs/dbraw/zinc/41/46/52/491414652.db2.gz HNRGZDBHGOZDEY-HNNXBMFYSA-N 2 2 354.495 0.062 10 0 FCAELP Cc1cc(N2CCC([NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)CC2)nc(C)[nH+]1 ZINC000573317478 491425627 /nfs/dbraw/zinc/42/56/27/491425627.db2.gz JVDCZGKLHOGCSL-GOSISDBHSA-N 3 2 362.522 0.260 10 0 FCAELP O=S(=O)(NCC[NH+]1CCC(O)CC1)c1ccccc1Cn1cc[nH+]c1 ZINC000573578028 491441812 /nfs/dbraw/zinc/44/18/12/491441812.db2.gz BRVHADBAIDZIBB-UHFFFAOYSA-N 2 2 364.471 0.666 10 0 FCAELP CC[NH+](CC)CCS(=O)(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000573766343 491453515 /nfs/dbraw/zinc/45/35/15/491453515.db2.gz UHMUANIOWYMHPI-CQSZACIVSA-N 2 2 371.507 0.172 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000566789554 491466833 /nfs/dbraw/zinc/46/68/33/491466833.db2.gz HWXXSGGWXXWGHX-HOTGVXAUSA-N 2 2 371.485 0.780 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000566789554 491466835 /nfs/dbraw/zinc/46/68/35/491466835.db2.gz HWXXSGGWXXWGHX-HOTGVXAUSA-N 2 2 371.485 0.780 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000566947396 491476942 /nfs/dbraw/zinc/47/69/42/491476942.db2.gz NBCMJMUQULMFAC-CQSZACIVSA-N 2 2 362.478 0.509 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000566947396 491476945 /nfs/dbraw/zinc/47/69/45/491476945.db2.gz NBCMJMUQULMFAC-CQSZACIVSA-N 2 2 362.478 0.509 10 0 FCAELP Cc1ccc(NC(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1S(N)(=O)=O ZINC000567049392 491482730 /nfs/dbraw/zinc/48/27/30/491482730.db2.gz RRHIJLUOBHTYLD-NNQSOWQGSA-N 2 2 366.487 0.796 10 0 FCAELP Cc1ccc(NC(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1S(N)(=O)=O ZINC000567049392 491482732 /nfs/dbraw/zinc/48/27/32/491482732.db2.gz RRHIJLUOBHTYLD-NNQSOWQGSA-N 2 2 366.487 0.796 10 0 FCAELP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)CC(F)(F)C[NH3+])CC2)CC1 ZINC000574409719 491494652 /nfs/dbraw/zinc/49/46/52/491494652.db2.gz ZHPYGLZIXURHAC-UHFFFAOYSA-N 2 2 360.449 0.763 10 0 FCAELP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000559769647 491498325 /nfs/dbraw/zinc/49/83/25/491498325.db2.gz UMMZYEPBMURMSX-AWEZNQCLSA-N 2 2 361.490 0.953 10 0 FCAELP O=C(NC1CCN(c2cccc[nH+]2)CC1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000559901421 491508819 /nfs/dbraw/zinc/50/88/19/491508819.db2.gz UGELNXTWTMJCFZ-UHFFFAOYSA-N 2 2 371.485 0.863 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000559968393 491513047 /nfs/dbraw/zinc/51/30/47/491513047.db2.gz GZDWXYZZRHJPDM-HNNXBMFYSA-N 2 2 356.430 0.440 10 0 FCAELP CC(C)[C@H](CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C)[NH+]1CCN(C)CC1 ZINC000560056576 491518176 /nfs/dbraw/zinc/51/81/76/491518176.db2.gz WPRQWMKIAYOHMN-OGNFBWPZSA-N 2 2 366.550 0.907 10 0 FCAELP NC(=O)CCN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574812391 491521954 /nfs/dbraw/zinc/52/19/54/491521954.db2.gz CNMXMYZLXURGLM-FQEVSTJZSA-N 2 2 358.486 0.966 10 0 FCAELP NC(=O)CCN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574812391 491521955 /nfs/dbraw/zinc/52/19/55/491521955.db2.gz CNMXMYZLXURGLM-FQEVSTJZSA-N 2 2 358.486 0.966 10 0 FCAELP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000575015205 491533468 /nfs/dbraw/zinc/53/34/68/491533468.db2.gz UYALHPZNGJHZBA-SJORKVTESA-N 2 2 366.506 0.252 10 0 FCAELP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000575401985 491552089 /nfs/dbraw/zinc/55/20/89/491552089.db2.gz YAYACQAGZDELHD-SUMWQHHRSA-N 2 2 366.487 0.737 10 0 FCAELP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000575401985 491552092 /nfs/dbraw/zinc/55/20/92/491552092.db2.gz YAYACQAGZDELHD-SUMWQHHRSA-N 2 2 366.487 0.737 10 0 FCAELP CCOC(=O)CC[C@@H](O)C[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000575798237 491561347 /nfs/dbraw/zinc/56/13/47/491561347.db2.gz YUFURDOHKULADG-ZIAGYGMSSA-N 2 2 352.435 0.205 10 0 FCAELP O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000575854478 491565404 /nfs/dbraw/zinc/56/54/04/491565404.db2.gz LQDXMRGYKXIJQE-HNNXBMFYSA-N 2 2 350.488 0.651 10 0 FCAELP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000561014697 491570408 /nfs/dbraw/zinc/57/04/08/491570408.db2.gz LGQCCYKXCSJIBS-SJORKVTESA-N 2 2 368.522 0.546 10 0 FCAELP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000561014697 491570411 /nfs/dbraw/zinc/57/04/11/491570411.db2.gz LGQCCYKXCSJIBS-SJORKVTESA-N 2 2 368.522 0.546 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1=O ZINC000576092266 491580955 /nfs/dbraw/zinc/58/09/55/491580955.db2.gz BBVDMGYMOKVTIK-QLFBSQMISA-N 2 2 360.462 0.447 10 0 FCAELP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000576159913 491587321 /nfs/dbraw/zinc/58/73/21/491587321.db2.gz LDYWPIRRMACFKO-QGZVFWFLSA-N 2 2 355.442 0.816 10 0 FCAELP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000561249085 491589947 /nfs/dbraw/zinc/58/99/47/491589947.db2.gz NLJXNLJKRCNEET-NSHDSACASA-N 2 2 361.368 0.614 10 0 FCAELP C[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000576356642 491607663 /nfs/dbraw/zinc/60/76/63/491607663.db2.gz GQEOJNVAIUOPCQ-MRXNPFEDSA-N 2 2 374.489 0.304 10 0 FCAELP C[C@@H]1CC[N@H+](CC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000576356642 491607667 /nfs/dbraw/zinc/60/76/67/491607667.db2.gz GQEOJNVAIUOPCQ-MRXNPFEDSA-N 2 2 374.489 0.304 10 0 FCAELP C[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000576356642 491607669 /nfs/dbraw/zinc/60/76/69/491607669.db2.gz GQEOJNVAIUOPCQ-MRXNPFEDSA-N 2 2 374.489 0.304 10 0 FCAELP CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC000660475657 493355077 /nfs/dbraw/zinc/35/50/77/493355077.db2.gz XNTXJYSMUVBRGN-IRXDYDNUSA-N 2 2 359.536 0.845 10 0 FCAELP CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC000660475657 493355080 /nfs/dbraw/zinc/35/50/80/493355080.db2.gz XNTXJYSMUVBRGN-IRXDYDNUSA-N 2 2 359.536 0.845 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000576399783 491611507 /nfs/dbraw/zinc/61/15/07/491611507.db2.gz PYLJIWNQUHMNCL-QGZVFWFLSA-N 2 2 367.453 0.849 10 0 FCAELP CC(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2C[NH2+]C2)[C@H]1c1ccc(F)c(F)c1 ZINC000577607120 491635563 /nfs/dbraw/zinc/63/55/63/491635563.db2.gz OMSUQDRHIYZBIV-HZPDHXFCSA-N 2 2 366.412 0.693 10 0 FCAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000562363871 491667639 /nfs/dbraw/zinc/66/76/39/491667639.db2.gz JKLUDEIQOUKWMS-KXBFYZLASA-N 2 2 357.458 0.331 10 0 FCAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000562363871 491667640 /nfs/dbraw/zinc/66/76/40/491667640.db2.gz JKLUDEIQOUKWMS-KXBFYZLASA-N 2 2 357.458 0.331 10 0 FCAELP CCOC(=O)c1sc([C@@H](C)[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)nc1C ZINC000578049963 491668693 /nfs/dbraw/zinc/66/86/93/491668693.db2.gz KHKXHEVERBFUAC-ZIAGYGMSSA-N 2 2 370.519 0.887 10 0 FCAELP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2C[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000578173961 491671528 /nfs/dbraw/zinc/67/15/28/491671528.db2.gz WKVRFCPBESRAMB-HUUCEWRRSA-N 2 2 368.840 0.819 10 0 FCAELP CC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2C[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000578173961 491671529 /nfs/dbraw/zinc/67/15/29/491671529.db2.gz WKVRFCPBESRAMB-HUUCEWRRSA-N 2 2 368.840 0.819 10 0 FCAELP Cn1c[nH+]cc1CC(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000578510961 491678790 /nfs/dbraw/zinc/67/87/90/491678790.db2.gz IRKDRXDWSZWXCY-UHFFFAOYSA-N 2 2 355.442 0.918 10 0 FCAELP COc1cccc([C@H]2[C@@H](NC(=O)CN3CC[NH2+]CC3=O)CC[N@@H+]2C2CC2)c1 ZINC000579227093 491693442 /nfs/dbraw/zinc/69/34/42/491693442.db2.gz LXUYYKOGVQMUQQ-PXNSSMCTSA-N 2 2 372.469 0.521 10 0 FCAELP COc1cccc([C@H]2[C@@H](NC(=O)CN3CC[NH2+]CC3=O)CC[N@H+]2C2CC2)c1 ZINC000579227093 491693443 /nfs/dbraw/zinc/69/34/43/491693443.db2.gz LXUYYKOGVQMUQQ-PXNSSMCTSA-N 2 2 372.469 0.521 10 0 FCAELP COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000579296470 491694934 /nfs/dbraw/zinc/69/49/34/491694934.db2.gz ZYORDZNWTIHLHH-QGZVFWFLSA-N 2 2 362.474 0.754 10 0 FCAELP COCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000579296470 491694935 /nfs/dbraw/zinc/69/49/35/491694935.db2.gz ZYORDZNWTIHLHH-QGZVFWFLSA-N 2 2 362.474 0.754 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2C[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000579816260 491705798 /nfs/dbraw/zinc/70/57/98/491705798.db2.gz ITUXUFBJOBUOEH-ZIAGYGMSSA-N 2 2 354.813 0.429 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)NC2C[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000579816260 491705799 /nfs/dbraw/zinc/70/57/99/491705799.db2.gz ITUXUFBJOBUOEH-ZIAGYGMSSA-N 2 2 354.813 0.429 10 0 FCAELP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000580104229 491717802 /nfs/dbraw/zinc/71/78/02/491717802.db2.gz IHGSHMYLQWLHFP-WBVHZDCISA-N 2 2 373.501 0.965 10 0 FCAELP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000580104229 491717803 /nfs/dbraw/zinc/71/78/03/491717803.db2.gz IHGSHMYLQWLHFP-WBVHZDCISA-N 2 2 373.501 0.965 10 0 FCAELP C[C@@H]1CN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000580609244 491738374 /nfs/dbraw/zinc/73/83/74/491738374.db2.gz KISNZKGVVCETPQ-RKVPGOIHSA-N 2 2 360.506 0.934 10 0 FCAELP CSCCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588236870 491742969 /nfs/dbraw/zinc/74/29/69/491742969.db2.gz USKHNNVZSGYAFA-CQSZACIVSA-N 2 2 356.536 0.531 10 0 FCAELP CSCCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588236870 491742971 /nfs/dbraw/zinc/74/29/71/491742971.db2.gz USKHNNVZSGYAFA-CQSZACIVSA-N 2 2 356.536 0.531 10 0 FCAELP Cc1ccc(OC[C@H](O)C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000590790800 491786609 /nfs/dbraw/zinc/78/66/09/491786609.db2.gz DHAYTLFARLGNDG-GOSISDBHSA-N 2 2 361.486 0.975 10 0 FCAELP C[C@H]1COCC[N@@H+]1CCNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000591228026 491799821 /nfs/dbraw/zinc/79/98/21/491799821.db2.gz IHMSYHXHADZZRC-SFHVURJKSA-N 2 2 360.502 0.641 10 0 FCAELP C[C@H]1COCC[N@H+]1CCNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000591228026 491799823 /nfs/dbraw/zinc/79/98/23/491799823.db2.gz IHMSYHXHADZZRC-SFHVURJKSA-N 2 2 360.502 0.641 10 0 FCAELP COC(=O)CC[C@H](C(=O)OC)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000595296387 491914105 /nfs/dbraw/zinc/91/41/05/491914105.db2.gz CHWWNLULPCABBH-MRXNPFEDSA-N 2 2 356.463 0.916 10 0 FCAELP COC(=O)CCN1CCC[C@H]([N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1=O ZINC000595471882 491934966 /nfs/dbraw/zinc/93/49/66/491934966.db2.gz FXYMMNQQDRCOJF-IRXDYDNUSA-N 2 2 367.490 0.727 10 0 FCAELP COC(=O)CCN1CCC[C@H]([N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1=O ZINC000595471882 491934967 /nfs/dbraw/zinc/93/49/67/491934967.db2.gz FXYMMNQQDRCOJF-IRXDYDNUSA-N 2 2 367.490 0.727 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000663871767 493622152 /nfs/dbraw/zinc/62/21/52/493622152.db2.gz KSBLVNDKRPLWCR-CYBMUJFWSA-N 2 2 353.433 0.806 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000663871767 493622155 /nfs/dbraw/zinc/62/21/55/493622155.db2.gz KSBLVNDKRPLWCR-CYBMUJFWSA-N 2 2 353.433 0.806 10 0 FCAELP CC1(C)C[NH+](CC(=O)N[C@H]2CCC[C@@H]2NC(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000613981431 492007397 /nfs/dbraw/zinc/00/73/97/492007397.db2.gz GKRQAWBIYCMHFY-GJZGRUSLSA-N 2 2 350.507 0.824 10 0 FCAELP CCC(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000604209499 492055166 /nfs/dbraw/zinc/05/51/66/492055166.db2.gz OGNONFGKRCIJDQ-JKSUJKDBSA-N 2 2 365.522 0.855 10 0 FCAELP CCC(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000604209499 492055167 /nfs/dbraw/zinc/05/51/67/492055167.db2.gz OGNONFGKRCIJDQ-JKSUJKDBSA-N 2 2 365.522 0.855 10 0 FCAELP COC(=O)COCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000599188910 492140376 /nfs/dbraw/zinc/14/03/76/492140376.db2.gz JJZCIGSQOKVIOF-XYPWUTKMSA-N 2 2 368.478 0.128 10 0 FCAELP COC(=O)COCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000599188910 492140378 /nfs/dbraw/zinc/14/03/78/492140378.db2.gz JJZCIGSQOKVIOF-XYPWUTKMSA-N 2 2 368.478 0.128 10 0 FCAELP C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[NH+](C)CC3)c[nH+]2)C[C@H](C)O1 ZINC000599310984 492158385 /nfs/dbraw/zinc/15/83/85/492158385.db2.gz KTMPSSXSNOUOJA-IYBDPMFKSA-N 2 2 361.490 0.559 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)CNC(=O)c1cc(F)cc(F)c1 ZINC000617765049 492189669 /nfs/dbraw/zinc/18/96/69/492189669.db2.gz RLIXDAFBUBUFMX-UHFFFAOYSA-N 2 2 356.417 0.694 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CNC(=O)c1cc(F)cc(F)c1 ZINC000617765049 492189671 /nfs/dbraw/zinc/18/96/71/492189671.db2.gz RLIXDAFBUBUFMX-UHFFFAOYSA-N 2 2 356.417 0.694 10 0 FCAELP Cc1cc(S(N)(=O)=O)cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1C ZINC000617765729 492189682 /nfs/dbraw/zinc/18/96/82/492189682.db2.gz NYMGSVOIVNONOJ-UHFFFAOYSA-N 2 2 370.519 0.564 10 0 FCAELP Cc1cc(S(N)(=O)=O)cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1C ZINC000617765729 492189684 /nfs/dbraw/zinc/18/96/84/492189684.db2.gz NYMGSVOIVNONOJ-UHFFFAOYSA-N 2 2 370.519 0.564 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cn1nnnc1-c1ccsc1 ZINC000617763121 492189792 /nfs/dbraw/zinc/18/97/92/492189792.db2.gz FXLJWAGYEJVHKJ-UHFFFAOYSA-N 2 2 351.480 0.401 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cn1nnnc1-c1ccsc1 ZINC000617763121 492189795 /nfs/dbraw/zinc/18/97/95/492189795.db2.gz FXLJWAGYEJVHKJ-UHFFFAOYSA-N 2 2 351.480 0.401 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(S(N)(=O)=O)cc1F ZINC000617765945 492189804 /nfs/dbraw/zinc/18/98/04/492189804.db2.gz XBKBNWCCJJUKGO-UHFFFAOYSA-N 2 2 360.455 0.086 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(S(N)(=O)=O)cc1F ZINC000617765945 492189807 /nfs/dbraw/zinc/18/98/07/492189807.db2.gz XBKBNWCCJJUKGO-UHFFFAOYSA-N 2 2 360.455 0.086 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(=O)n(-c2ccccc2)n1 ZINC000617768327 492190442 /nfs/dbraw/zinc/19/04/42/492190442.db2.gz ZFEBYZIRLKQVOZ-UHFFFAOYSA-N 2 2 357.458 0.846 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(=O)n(-c2ccccc2)n1 ZINC000617768327 492190445 /nfs/dbraw/zinc/19/04/45/492190445.db2.gz ZFEBYZIRLKQVOZ-UHFFFAOYSA-N 2 2 357.458 0.846 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000617766524 492190660 /nfs/dbraw/zinc/19/06/60/492190660.db2.gz NVRYHYOYAHHKDE-IBGZPJMESA-N 3 2 362.518 0.887 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000617766524 492190662 /nfs/dbraw/zinc/19/06/62/492190662.db2.gz NVRYHYOYAHHKDE-IBGZPJMESA-N 3 2 362.518 0.887 10 0 FCAELP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000617766524 492190664 /nfs/dbraw/zinc/19/06/64/492190664.db2.gz NVRYHYOYAHHKDE-IBGZPJMESA-N 3 2 362.518 0.887 10 0 FCAELP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000617766524 492190666 /nfs/dbraw/zinc/19/06/66/492190666.db2.gz NVRYHYOYAHHKDE-IBGZPJMESA-N 3 2 362.518 0.887 10 0 FCAELP CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000617766524 492190667 /nfs/dbraw/zinc/19/06/67/492190667.db2.gz NVRYHYOYAHHKDE-IBGZPJMESA-N 2 2 362.518 0.887 10 0 FCAELP CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000617766524 492190669 /nfs/dbraw/zinc/19/06/69/492190669.db2.gz NVRYHYOYAHHKDE-IBGZPJMESA-N 2 2 362.518 0.887 10 0 FCAELP Cc1ccc(S(N)(=O)=O)cc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617768737 492191265 /nfs/dbraw/zinc/19/12/65/492191265.db2.gz SEXSHTBNAPOHTJ-UHFFFAOYSA-N 2 2 356.492 0.256 10 0 FCAELP Cc1ccc(S(N)(=O)=O)cc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768737 492191266 /nfs/dbraw/zinc/19/12/66/492191266.db2.gz SEXSHTBNAPOHTJ-UHFFFAOYSA-N 2 2 356.492 0.256 10 0 FCAELP COC(=O)[C@@H](C)Oc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1F ZINC000599609014 492193459 /nfs/dbraw/zinc/19/34/59/492193459.db2.gz AOXJYYLLLVHGDS-DGCLKSJQSA-N 2 2 368.409 0.873 10 0 FCAELP COC(=O)[C@@H](C)Oc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1F ZINC000599609014 492193461 /nfs/dbraw/zinc/19/34/61/492193461.db2.gz AOXJYYLLLVHGDS-DGCLKSJQSA-N 2 2 368.409 0.873 10 0 FCAELP COC(=O)C1C[C@@H](C)[NH+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H](C)C1 ZINC000599687983 492199332 /nfs/dbraw/zinc/19/93/32/492199332.db2.gz AORGOEVRVXBXIN-HUUCEWRRSA-N 2 2 369.506 0.875 10 0 FCAELP C[NH+]1CCN(c2cccc(C(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)n2)CC1 ZINC000618181921 492214762 /nfs/dbraw/zinc/21/47/62/492214762.db2.gz URFDMVIWSKBMLP-MRXNPFEDSA-N 2 2 359.474 0.380 10 0 FCAELP C[C@@H](CNC(=O)NC1CCN(CC[NH+](C)C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654367583 492295519 /nfs/dbraw/zinc/29/55/19/492295519.db2.gz MLASWSRTPMQBCG-YESZJQIVSA-N 2 2 369.554 0.809 10 0 FCAELP C[C@@H](CNC(=O)NC1CCN(CC[NH+](C)C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654367583 492295521 /nfs/dbraw/zinc/29/55/21/492295521.db2.gz MLASWSRTPMQBCG-YESZJQIVSA-N 2 2 369.554 0.809 10 0 FCAELP C[C@@H](CNC(=O)NC1CC[NH+](CCN(C)C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654367583 492295524 /nfs/dbraw/zinc/29/55/24/492295524.db2.gz MLASWSRTPMQBCG-YESZJQIVSA-N 2 2 369.554 0.809 10 0 FCAELP C[C@@H](CNC(=O)NC1CC[NH+](CCN(C)C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654367583 492295527 /nfs/dbraw/zinc/29/55/27/492295527.db2.gz MLASWSRTPMQBCG-YESZJQIVSA-N 2 2 369.554 0.809 10 0 FCAELP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000627442504 492297509 /nfs/dbraw/zinc/29/75/09/492297509.db2.gz LITYYSKUBQYBLZ-RDJZCZTQSA-N 2 2 371.485 0.688 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000627455646 492302728 /nfs/dbraw/zinc/30/27/28/492302728.db2.gz DOBHRBUXWDDMDS-MRXNPFEDSA-N 2 2 374.485 0.343 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000627455646 492302731 /nfs/dbraw/zinc/30/27/31/492302731.db2.gz DOBHRBUXWDDMDS-MRXNPFEDSA-N 2 2 374.485 0.343 10 0 FCAELP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C[NH2+]1 ZINC000627479611 492316024 /nfs/dbraw/zinc/31/60/24/492316024.db2.gz DUWYWNMLQSDLJE-ZIAGYGMSSA-N 2 2 350.488 0.649 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)NCCOCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000627484544 492318868 /nfs/dbraw/zinc/31/88/68/492318868.db2.gz AUNRPFPVSVBRPV-MRXNPFEDSA-N 2 2 362.474 0.201 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)NCCOCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000627484544 492318870 /nfs/dbraw/zinc/31/88/70/492318870.db2.gz AUNRPFPVSVBRPV-MRXNPFEDSA-N 2 2 362.474 0.201 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000620723470 492328168 /nfs/dbraw/zinc/32/81/68/492328168.db2.gz NKHBUKCEVYTJCX-AZUAARDMSA-N 2 2 374.529 0.887 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000620723470 492328169 /nfs/dbraw/zinc/32/81/69/492328169.db2.gz NKHBUKCEVYTJCX-AZUAARDMSA-N 2 2 374.529 0.887 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000620723470 492328173 /nfs/dbraw/zinc/32/81/73/492328173.db2.gz NKHBUKCEVYTJCX-AZUAARDMSA-N 2 2 374.529 0.887 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000620723470 492328176 /nfs/dbraw/zinc/32/81/76/492328176.db2.gz NKHBUKCEVYTJCX-AZUAARDMSA-N 2 2 374.529 0.887 10 0 FCAELP C[NH+]1CCN(CC(=O)NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)CC1 ZINC000620723994 492328212 /nfs/dbraw/zinc/32/82/12/492328212.db2.gz TZGJLBAWTXWDAX-IBGZPJMESA-N 2 2 359.518 0.166 10 0 FCAELP C[NH+]1CCN(CC(=O)NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)CC1 ZINC000620723994 492328216 /nfs/dbraw/zinc/32/82/16/492328216.db2.gz TZGJLBAWTXWDAX-IBGZPJMESA-N 2 2 359.518 0.166 10 0 FCAELP C[C@@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000642052447 492329037 /nfs/dbraw/zinc/32/90/37/492329037.db2.gz AJSAXTVFLAOOPU-NEPJUHHUSA-N 2 2 354.401 0.509 10 0 FCAELP C[C@@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000642052447 492329044 /nfs/dbraw/zinc/32/90/44/492329044.db2.gz AJSAXTVFLAOOPU-NEPJUHHUSA-N 2 2 354.401 0.509 10 0 FCAELP C[C@H](CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654651005 492330964 /nfs/dbraw/zinc/33/09/64/492330964.db2.gz RUFJGSOGHWMVQP-ZJPYXAASSA-N 2 2 368.522 0.848 10 0 FCAELP C[C@H](CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654651005 492330968 /nfs/dbraw/zinc/33/09/68/492330968.db2.gz RUFJGSOGHWMVQP-ZJPYXAASSA-N 2 2 368.522 0.848 10 0 FCAELP C[NH+](C)CCn1cc(C(=O)N2CC[NH+](CCc3cnccn3)CC2)cn1 ZINC000634508802 492346827 /nfs/dbraw/zinc/34/68/27/492346827.db2.gz MULPICJPWORYKU-UHFFFAOYSA-N 2 2 357.462 0.235 10 0 FCAELP O=C(CCCC[NH+]1CCOCC1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000634509302 492346971 /nfs/dbraw/zinc/34/69/71/492346971.db2.gz GXBHYDULKKVILE-UHFFFAOYSA-N 2 2 361.490 0.666 10 0 FCAELP C[NH+]1CCN(Cc2cccc(C(=O)N3CC(C[NH+]4CCOCC4)C3)c2)CC1 ZINC000647805770 492363103 /nfs/dbraw/zinc/36/31/03/492363103.db2.gz CVUZBOYYKSLEIS-UHFFFAOYSA-N 2 2 372.513 0.838 10 0 FCAELP C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000647823216 492366273 /nfs/dbraw/zinc/36/62/73/492366273.db2.gz FTDOPYNGXMHKAU-ZWKOTPCHSA-N 2 2 373.501 0.525 10 0 FCAELP C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000647823216 492366276 /nfs/dbraw/zinc/36/62/76/492366276.db2.gz FTDOPYNGXMHKAU-ZWKOTPCHSA-N 2 2 373.501 0.525 10 0 FCAELP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)C(=O)N1CCCCC1 ZINC000647904117 492380524 /nfs/dbraw/zinc/38/05/24/492380524.db2.gz WZCXPEUEBFYUEN-BBWFWOEESA-N 2 2 350.507 0.968 10 0 FCAELP C[C@H](NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)C(=O)N1CCCCC1 ZINC000647904117 492380529 /nfs/dbraw/zinc/38/05/29/492380529.db2.gz WZCXPEUEBFYUEN-BBWFWOEESA-N 2 2 350.507 0.968 10 0 FCAELP COc1cccc(OCC[NH+]2CCN(C(=O)COC3(C)C[NH2+]C3)CC2)c1 ZINC000648159538 492410204 /nfs/dbraw/zinc/41/02/04/492410204.db2.gz VBMFBZFARFHRRX-UHFFFAOYSA-N 2 2 363.458 0.597 10 0 FCAELP [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)NCc1cn3cc(Cl)ccc3[nH+]1)C2 ZINC000621840313 492423272 /nfs/dbraw/zinc/42/32/72/492423272.db2.gz GVRUPTLERQEJQD-APPDUMDISA-N 2 2 361.833 0.944 10 0 FCAELP CN1CC[C@@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)S1(=O)=O ZINC000648304308 492423996 /nfs/dbraw/zinc/42/39/96/492423996.db2.gz SVIMZFNGTSZYKI-HNNXBMFYSA-N 2 2 372.535 0.087 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000643541397 492494570 /nfs/dbraw/zinc/49/45/70/492494570.db2.gz FCJRAJXZQYLAEA-JKSUJKDBSA-N 2 2 357.458 0.249 10 0 FCAELP C[C@@H](CNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655954683 492495817 /nfs/dbraw/zinc/49/58/17/492495817.db2.gz ICSIVCCKODPMIX-SOUVJXGZSA-N 2 2 374.485 0.885 10 0 FCAELP C[C@@H](CNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655954683 492495818 /nfs/dbraw/zinc/49/58/18/492495818.db2.gz ICSIVCCKODPMIX-SOUVJXGZSA-N 2 2 374.485 0.885 10 0 FCAELP CNC(=O)NC[C@@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000628419657 492501507 /nfs/dbraw/zinc/50/15/07/492501507.db2.gz KZWJXBDAXTWXHT-QGZVFWFLSA-N 2 2 350.463 0.757 10 0 FCAELP CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000628419657 492501509 /nfs/dbraw/zinc/50/15/09/492501509.db2.gz KZWJXBDAXTWXHT-QGZVFWFLSA-N 2 2 350.463 0.757 10 0 FCAELP CNC(=O)NC[C@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000628419656 492501520 /nfs/dbraw/zinc/50/15/20/492501520.db2.gz KZWJXBDAXTWXHT-KRWDZBQOSA-N 2 2 350.463 0.757 10 0 FCAELP CNC(=O)NC[C@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000628419656 492501524 /nfs/dbraw/zinc/50/15/24/492501524.db2.gz KZWJXBDAXTWXHT-KRWDZBQOSA-N 2 2 350.463 0.757 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656023806 492520486 /nfs/dbraw/zinc/52/04/86/492520486.db2.gz FSHDHVCBUCJWGS-HGTKMLMNSA-N 2 2 354.495 0.234 10 0 FCAELP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000656072545 492533589 /nfs/dbraw/zinc/53/35/89/492533589.db2.gz QNGWTICVDJVVBB-NUJGCVRESA-N 2 2 373.501 0.743 10 0 FCAELP COc1cc(C[NH+]2CCN(C(=O)COC3(C)C[NH2+]C3)CC2)cc(OC)c1 ZINC000649346359 492541269 /nfs/dbraw/zinc/54/12/69/492541269.db2.gz ARNGDZFKRYMYSU-UHFFFAOYSA-N 2 2 363.458 0.727 10 0 FCAELP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656083639 492544537 /nfs/dbraw/zinc/54/45/37/492544537.db2.gz LJMJQKMEPHKYGC-NCOADZHNSA-N 2 2 368.522 0.541 10 0 FCAELP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656083639 492544540 /nfs/dbraw/zinc/54/45/40/492544540.db2.gz LJMJQKMEPHKYGC-NCOADZHNSA-N 2 2 368.522 0.541 10 0 FCAELP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656083639 492544545 /nfs/dbraw/zinc/54/45/45/492544545.db2.gz LJMJQKMEPHKYGC-NCOADZHNSA-N 2 2 368.522 0.541 10 0 FCAELP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656083639 492544548 /nfs/dbraw/zinc/54/45/48/492544548.db2.gz LJMJQKMEPHKYGC-NCOADZHNSA-N 2 2 368.522 0.541 10 0 FCAELP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000636075718 492546792 /nfs/dbraw/zinc/54/67/92/492546792.db2.gz CEQJTBWUFQSYGR-ZDUSSCGKSA-N 2 2 357.414 0.770 10 0 FCAELP C[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656086096 492546962 /nfs/dbraw/zinc/54/69/62/492546962.db2.gz QKODSKILMXRUEO-WCVJEAGWSA-N 2 2 354.495 0.153 10 0 FCAELP C[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[NH+]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656086096 492546965 /nfs/dbraw/zinc/54/69/65/492546965.db2.gz QKODSKILMXRUEO-WCVJEAGWSA-N 2 2 354.495 0.153 10 0 FCAELP C[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[NH+]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656086096 492546969 /nfs/dbraw/zinc/54/69/69/492546969.db2.gz QKODSKILMXRUEO-WCVJEAGWSA-N 2 2 354.495 0.153 10 0 FCAELP CCN1C(=O)CO[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC)[C@@H]1c1[nH+]ccn1C ZINC000623542875 492565347 /nfs/dbraw/zinc/56/53/47/492565347.db2.gz VJYBYVXENAPRCK-NUEKZKHPSA-N 2 2 363.462 0.309 10 0 FCAELP CCN1C(=O)CO[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CC)[C@@H]1c1[nH+]ccn1C ZINC000623542875 492565351 /nfs/dbraw/zinc/56/53/51/492565351.db2.gz VJYBYVXENAPRCK-NUEKZKHPSA-N 2 2 363.462 0.309 10 0 FCAELP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2COCC[NH+]2C)[C@@H](C)C1 ZINC000623621034 492574748 /nfs/dbraw/zinc/57/47/48/492574748.db2.gz MDXCWVKRWYZVDW-BBWFWOEESA-N 2 2 356.511 0.753 10 0 FCAELP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2COCC[NH+]2C)[C@@H](C)C1 ZINC000623621034 492574750 /nfs/dbraw/zinc/57/47/50/492574750.db2.gz MDXCWVKRWYZVDW-BBWFWOEESA-N 2 2 356.511 0.753 10 0 FCAELP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2COCC[N@@H+]2C)[C@@H](C)C1 ZINC000623621034 492574752 /nfs/dbraw/zinc/57/47/52/492574752.db2.gz MDXCWVKRWYZVDW-BBWFWOEESA-N 2 2 356.511 0.753 10 0 FCAELP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2COCC[N@H+]2C)[C@@H](C)C1 ZINC000623621034 492574754 /nfs/dbraw/zinc/57/47/54/492574754.db2.gz MDXCWVKRWYZVDW-BBWFWOEESA-N 2 2 356.511 0.753 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656300839 492577300 /nfs/dbraw/zinc/57/73/00/492577300.db2.gz VBGOCVHWNCAGGQ-NRKLIOEPSA-N 2 2 366.506 0.343 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656300839 492577302 /nfs/dbraw/zinc/57/73/02/492577302.db2.gz VBGOCVHWNCAGGQ-NRKLIOEPSA-N 2 2 366.506 0.343 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656300839 492577305 /nfs/dbraw/zinc/57/73/05/492577305.db2.gz VBGOCVHWNCAGGQ-NRKLIOEPSA-N 2 2 366.506 0.343 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656300839 492577309 /nfs/dbraw/zinc/57/73/09/492577309.db2.gz VBGOCVHWNCAGGQ-NRKLIOEPSA-N 2 2 366.506 0.343 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656300840 492577373 /nfs/dbraw/zinc/57/73/73/492577373.db2.gz VBGOCVHWNCAGGQ-UHDSXZAQSA-N 2 2 366.506 0.343 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656300840 492577378 /nfs/dbraw/zinc/57/73/78/492577378.db2.gz VBGOCVHWNCAGGQ-UHDSXZAQSA-N 2 2 366.506 0.343 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@H]12)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656300840 492577380 /nfs/dbraw/zinc/57/73/80/492577380.db2.gz VBGOCVHWNCAGGQ-UHDSXZAQSA-N 2 2 366.506 0.343 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@H]12)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656300840 492577385 /nfs/dbraw/zinc/57/73/85/492577385.db2.gz VBGOCVHWNCAGGQ-UHDSXZAQSA-N 2 2 366.506 0.343 10 0 FCAELP Cc1[nH+]ccn1CCNC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000623723204 492587251 /nfs/dbraw/zinc/58/72/51/492587251.db2.gz IJPPSNNEOUJVCN-QGZVFWFLSA-N 2 2 358.446 0.787 10 0 FCAELP Cc1[nH+]ccn1CCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000623723204 492587254 /nfs/dbraw/zinc/58/72/54/492587254.db2.gz IJPPSNNEOUJVCN-QGZVFWFLSA-N 2 2 358.446 0.787 10 0 FCAELP C[C@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656329795 492595547 /nfs/dbraw/zinc/59/55/47/492595547.db2.gz LLXWKAKMMKINTJ-KFWWJZLASA-N 2 2 354.495 0.201 10 0 FCAELP C[C@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656329795 492595550 /nfs/dbraw/zinc/59/55/50/492595550.db2.gz LLXWKAKMMKINTJ-KFWWJZLASA-N 2 2 354.495 0.201 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656334919 492598541 /nfs/dbraw/zinc/59/85/41/492598541.db2.gz UWPDWFPSTPDJDU-NPCUJANDSA-N 2 2 366.506 0.199 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656334919 492598544 /nfs/dbraw/zinc/59/85/44/492598544.db2.gz UWPDWFPSTPDJDU-NPCUJANDSA-N 2 2 366.506 0.199 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1C[NH+](C2CC2)C[C@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656334919 492598553 /nfs/dbraw/zinc/59/85/53/492598553.db2.gz UWPDWFPSTPDJDU-NPCUJANDSA-N 2 2 366.506 0.199 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656334920 492598579 /nfs/dbraw/zinc/59/85/79/492598579.db2.gz UWPDWFPSTPDJDU-WVCIDPQESA-N 2 2 366.506 0.199 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656334920 492598583 /nfs/dbraw/zinc/59/85/83/492598583.db2.gz UWPDWFPSTPDJDU-WVCIDPQESA-N 2 2 366.506 0.199 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H]1C[NH+](C2CC2)C[C@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656334920 492598590 /nfs/dbraw/zinc/59/85/90/492598590.db2.gz UWPDWFPSTPDJDU-WVCIDPQESA-N 2 2 366.506 0.199 10 0 FCAELP CC[NH+](CC)CCCNC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656344626 492605285 /nfs/dbraw/zinc/60/52/85/492605285.db2.gz XDGCLMZQGSOHOO-HRCADAONSA-N 2 2 356.511 0.448 10 0 FCAELP CC[NH+](CC)CCCNC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656344626 492605290 /nfs/dbraw/zinc/60/52/90/492605290.db2.gz XDGCLMZQGSOHOO-HRCADAONSA-N 2 2 356.511 0.448 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)CC2 ZINC000629801914 492679675 /nfs/dbraw/zinc/67/96/75/492679675.db2.gz PKFNVTCOPBJGFA-NWDGAFQWSA-N 2 2 373.379 0.519 10 0 FCAELP CC(=O)Nc1ccc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(F)c1 ZINC000657092133 492715387 /nfs/dbraw/zinc/71/53/87/492715387.db2.gz CSDNTNPRVIFBDJ-UHFFFAOYSA-N 2 2 374.482 0.946 10 0 FCAELP CC(=O)Nc1ccc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)c(F)c1 ZINC000657092133 492715390 /nfs/dbraw/zinc/71/53/90/492715390.db2.gz CSDNTNPRVIFBDJ-UHFFFAOYSA-N 2 2 374.482 0.946 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC000657093088 492715447 /nfs/dbraw/zinc/71/54/47/492715447.db2.gz YAFSHDONNNQIIA-UHFFFAOYSA-N 2 2 374.438 0.422 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC000657093088 492715450 /nfs/dbraw/zinc/71/54/50/492715450.db2.gz YAFSHDONNNQIIA-UHFFFAOYSA-N 2 2 374.438 0.422 10 0 FCAELP CN(C)C(=O)c1cccc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000657093241 492716202 /nfs/dbraw/zinc/71/62/02/492716202.db2.gz RTMLXRRVRZEWHC-UHFFFAOYSA-N 2 2 370.519 0.550 10 0 FCAELP CN(C)C(=O)c1cccc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000657093241 492716204 /nfs/dbraw/zinc/71/62/04/492716204.db2.gz RTMLXRRVRZEWHC-UHFFFAOYSA-N 2 2 370.519 0.550 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)C1CN(C(=O)C2CCCC2)C1 ZINC000657093111 492716472 /nfs/dbraw/zinc/71/64/72/492716472.db2.gz YUAMGXRKPXVTGP-UHFFFAOYSA-N 2 2 374.551 0.190 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)C1CN(C(=O)C2CCCC2)C1 ZINC000657093111 492716476 /nfs/dbraw/zinc/71/64/76/492716476.db2.gz YUAMGXRKPXVTGP-UHFFFAOYSA-N 2 2 374.551 0.190 10 0 FCAELP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2CCn3cc(C)[nH+]c3C2)CC1 ZINC000625257857 492746885 /nfs/dbraw/zinc/74/68/85/492746885.db2.gz XEXKBPFJPVLTBR-INIZCTEOSA-N 2 2 361.490 0.767 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCn1cc(CN2c3ccccc3C(=O)C2=O)nn1 ZINC000630610691 492755711 /nfs/dbraw/zinc/75/57/11/492755711.db2.gz PCKDRWGBWSUQDC-UHFFFAOYSA-N 2 2 370.457 0.891 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCn1cc(CN2c3ccccc3C(=O)C2=O)nn1 ZINC000630610691 492755714 /nfs/dbraw/zinc/75/57/14/492755714.db2.gz PCKDRWGBWSUQDC-UHFFFAOYSA-N 2 2 370.457 0.891 10 0 FCAELP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000631059521 492795813 /nfs/dbraw/zinc/79/58/13/492795813.db2.gz NMBCBXJUCSIZMJ-RDJZCZTQSA-N 2 2 364.494 0.347 10 0 FCAELP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000631059521 492795818 /nfs/dbraw/zinc/79/58/18/492795818.db2.gz NMBCBXJUCSIZMJ-RDJZCZTQSA-N 2 2 364.494 0.347 10 0 FCAELP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000631059522 492796577 /nfs/dbraw/zinc/79/65/77/492796577.db2.gz NMBCBXJUCSIZMJ-WBVHZDCISA-N 2 2 364.494 0.347 10 0 FCAELP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000631059522 492796580 /nfs/dbraw/zinc/79/65/80/492796580.db2.gz NMBCBXJUCSIZMJ-WBVHZDCISA-N 2 2 364.494 0.347 10 0 FCAELP COc1ccc(C[NH+]2CCN(C(=O)CN3CC[C@@H]4C[N@H+](C)C[C@H]43)CC2)cc1 ZINC000644736109 492803006 /nfs/dbraw/zinc/80/30/06/492803006.db2.gz WWNQHNBEVHMECP-UYAOXDASSA-N 2 2 372.513 0.975 10 0 FCAELP COc1ccc(C[NH+]2CCN(C(=O)CN3CC[C@@H]4C[N@@H+](C)C[C@H]43)CC2)cc1 ZINC000644736109 492803010 /nfs/dbraw/zinc/80/30/10/492803010.db2.gz WWNQHNBEVHMECP-UYAOXDASSA-N 2 2 372.513 0.975 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CNC(=O)c2ccccc21 ZINC000625560018 492820523 /nfs/dbraw/zinc/82/05/23/492820523.db2.gz HBTKEZBBBAFQTH-GOSISDBHSA-N 2 2 358.486 0.998 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CNC(=O)c2ccccc21 ZINC000625560018 492820528 /nfs/dbraw/zinc/82/05/28/492820528.db2.gz HBTKEZBBBAFQTH-GOSISDBHSA-N 2 2 358.486 0.998 10 0 FCAELP CCN1C(=O)CO[C@H](C(=O)N[C@@H](C)CC[NH+](C)C)[C@H]1c1[nH+]ccn1C ZINC000625566913 492822654 /nfs/dbraw/zinc/82/26/54/492822654.db2.gz QXRZCFHZKYCBOC-QEJZJMRPSA-N 2 2 351.451 0.165 10 0 FCAELP C[NH+](C)[C@@H](CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)c1cccc(F)c1 ZINC000631664708 492832344 /nfs/dbraw/zinc/83/23/44/492832344.db2.gz UGOUWDWSSQLYNT-HOTGVXAUSA-N 2 2 359.467 0.678 10 0 FCAELP C[NH+](C)[C@@H](CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)c1cccc(F)c1 ZINC000631664708 492832346 /nfs/dbraw/zinc/83/23/46/492832346.db2.gz UGOUWDWSSQLYNT-HOTGVXAUSA-N 2 2 359.467 0.678 10 0 FCAELP COc1cccc([C@@H](CNS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)[NH+](C)C)c1 ZINC000631665717 492832723 /nfs/dbraw/zinc/83/27/23/492832723.db2.gz YRGJRSZDNNAQOM-IAGOWNOFSA-N 2 2 371.503 0.548 10 0 FCAELP COc1cccc([C@@H](CNS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)[NH+](C)C)c1 ZINC000631665717 492832724 /nfs/dbraw/zinc/83/27/24/492832724.db2.gz YRGJRSZDNNAQOM-IAGOWNOFSA-N 2 2 371.503 0.548 10 0 FCAELP C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000631690365 492836078 /nfs/dbraw/zinc/83/60/78/492836078.db2.gz GJOVEBBKGVDRCA-GOSISDBHSA-N 2 2 367.515 0.855 10 0 FCAELP C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000631690365 492836082 /nfs/dbraw/zinc/83/60/82/492836082.db2.gz GJOVEBBKGVDRCA-GOSISDBHSA-N 2 2 367.515 0.855 10 0 FCAELP C[NH+]1CCO[C@@H](CS(=O)(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000631690365 492836084 /nfs/dbraw/zinc/83/60/84/492836084.db2.gz GJOVEBBKGVDRCA-GOSISDBHSA-N 2 2 367.515 0.855 10 0 FCAELP C[NH+]1CCO[C@@H](CS(=O)(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000631690365 492836088 /nfs/dbraw/zinc/83/60/88/492836088.db2.gz GJOVEBBKGVDRCA-GOSISDBHSA-N 2 2 367.515 0.855 10 0 FCAELP C[NH+](C)CCOc1ccc(CNS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000631765618 492849499 /nfs/dbraw/zinc/84/94/99/492849499.db2.gz MJVWZDNVHUTZDV-KRWDZBQOSA-N 2 2 371.503 0.377 10 0 FCAELP C[NH+](C)CCOc1ccc(CNS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000631765618 492849502 /nfs/dbraw/zinc/84/95/02/492849502.db2.gz MJVWZDNVHUTZDV-KRWDZBQOSA-N 2 2 371.503 0.377 10 0 FCAELP C[NH+](C)CCN(Cc1ccccc1F)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631774490 492850478 /nfs/dbraw/zinc/85/04/78/492850478.db2.gz AALWNDKZMQEDII-INIZCTEOSA-N 2 2 373.494 0.850 10 0 FCAELP C[NH+](C)CCN(Cc1ccccc1F)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631774490 492850482 /nfs/dbraw/zinc/85/04/82/492850482.db2.gz AALWNDKZMQEDII-INIZCTEOSA-N 2 2 373.494 0.850 10 0 FCAELP C[NH+](C)CCN(Cc1ccccc1F)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631774491 492850572 /nfs/dbraw/zinc/85/05/72/492850572.db2.gz AALWNDKZMQEDII-MRXNPFEDSA-N 2 2 373.494 0.850 10 0 FCAELP C[NH+](C)CCN(Cc1ccccc1F)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631774491 492850574 /nfs/dbraw/zinc/85/05/74/492850574.db2.gz AALWNDKZMQEDII-MRXNPFEDSA-N 2 2 373.494 0.850 10 0 FCAELP Cc1ccc([C@@H](CNS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)[NH+](C)C)cc1 ZINC000631812375 492855951 /nfs/dbraw/zinc/85/59/51/492855951.db2.gz HQSHKSCCEFLCLK-DLBZAZTESA-N 2 2 355.504 0.848 10 0 FCAELP Cc1ccc([C@@H](CNS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)[NH+](C)C)cc1 ZINC000631812375 492855954 /nfs/dbraw/zinc/85/59/54/492855954.db2.gz HQSHKSCCEFLCLK-DLBZAZTESA-N 2 2 355.504 0.848 10 0 FCAELP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000625685223 492859212 /nfs/dbraw/zinc/85/92/12/492859212.db2.gz WHWWOJQBCRIWOG-IRXDYDNUSA-N 2 2 364.490 0.053 10 0 FCAELP O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000625685223 492859215 /nfs/dbraw/zinc/85/92/15/492859215.db2.gz WHWWOJQBCRIWOG-IRXDYDNUSA-N 2 2 364.490 0.053 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc2c(c1)ncn2C ZINC000658335506 492861856 /nfs/dbraw/zinc/86/18/56/492861856.db2.gz ALOIZMSULMUHQM-AWEZNQCLSA-N 2 2 374.489 0.900 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc2c(c1)ncn2C ZINC000658335506 492861862 /nfs/dbraw/zinc/86/18/62/492861862.db2.gz ALOIZMSULMUHQM-AWEZNQCLSA-N 2 2 374.489 0.900 10 0 FCAELP CCn1nc(C)c(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1C ZINC000658336087 492862199 /nfs/dbraw/zinc/86/21/99/492862199.db2.gz NEVQISXKATXGJF-ZDUSSCGKSA-N 2 2 366.510 0.847 10 0 FCAELP CCn1nc(C)c(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1C ZINC000658336087 492862200 /nfs/dbraw/zinc/86/22/00/492862200.db2.gz NEVQISXKATXGJF-ZDUSSCGKSA-N 2 2 366.510 0.847 10 0 FCAELP CC(C)N(CCCNC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)S(C)(=O)=O ZINC000631885866 492869127 /nfs/dbraw/zinc/86/91/27/492869127.db2.gz BWNREPOCYNOFOU-HZPDHXFCSA-N 2 2 374.551 0.237 10 0 FCAELP CC(C)N(CCCNC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)S(C)(=O)=O ZINC000631885866 492869131 /nfs/dbraw/zinc/86/91/31/492869131.db2.gz BWNREPOCYNOFOU-HZPDHXFCSA-N 2 2 374.551 0.237 10 0 FCAELP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000645133163 492871277 /nfs/dbraw/zinc/87/12/77/492871277.db2.gz POIWWENUDQUGLZ-CQSZACIVSA-N 2 2 362.478 0.523 10 0 FCAELP Cn1cc[nH+]c1[C@H](NS(=O)(=O)C[C@H]1C[NH2+]CCO1)c1ccc(F)cc1 ZINC000631910265 492876653 /nfs/dbraw/zinc/87/66/53/492876653.db2.gz BXNJJWPEXOASBW-HUUCEWRRSA-N 2 2 368.434 0.556 10 0 FCAELP CC1CCN(c2ccc(CNS(=O)(=O)C[C@H]3C[NH2+]CCO3)c[nH+]2)CC1 ZINC000631913360 492879604 /nfs/dbraw/zinc/87/96/04/492879604.db2.gz JJGSREJCUBYIQC-MRXNPFEDSA-N 2 2 368.503 0.726 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@H](Nc4ncccn4)C3)C2)CC1 ZINC000645234119 492881170 /nfs/dbraw/zinc/88/11/70/492881170.db2.gz PBOQSMPMSKYKTA-HOTGVXAUSA-N 2 2 373.505 0.841 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@H](Nc4ncccn4)C3)C2)CC1 ZINC000645234119 492881174 /nfs/dbraw/zinc/88/11/74/492881174.db2.gz PBOQSMPMSKYKTA-HOTGVXAUSA-N 2 2 373.505 0.841 10 0 FCAELP CN(Cc1[nH+]ccn1CC(F)(F)F)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631918031 492884012 /nfs/dbraw/zinc/88/40/12/492884012.db2.gz RUPQFDMEPCNCOX-JTQLQIEISA-N 2 2 356.370 0.195 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000658426214 492884640 /nfs/dbraw/zinc/88/46/40/492884640.db2.gz GGTKFWBHNLKMRT-UHFFFAOYSA-N 3 2 373.461 0.206 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000658426214 492884645 /nfs/dbraw/zinc/88/46/45/492884645.db2.gz GGTKFWBHNLKMRT-UHFFFAOYSA-N 3 2 373.461 0.206 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)c2ccccc2O1 ZINC000658426718 492884894 /nfs/dbraw/zinc/88/48/94/492884894.db2.gz IGKLYYZBARFSHM-HNNXBMFYSA-N 2 2 362.474 0.800 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c2ccccc2O1 ZINC000658426718 492884896 /nfs/dbraw/zinc/88/48/96/492884896.db2.gz IGKLYYZBARFSHM-HNNXBMFYSA-N 2 2 362.474 0.800 10 0 FCAELP Cc1noc(C2CC2)c1NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000658428055 492886503 /nfs/dbraw/zinc/88/65/03/492886503.db2.gz HOARKZZOILJQTL-UHFFFAOYSA-N 2 2 351.451 0.799 10 0 FCAELP Cc1noc(C2CC2)c1NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000658428055 492886505 /nfs/dbraw/zinc/88/65/05/492886505.db2.gz HOARKZZOILJQTL-UHFFFAOYSA-N 2 2 351.451 0.799 10 0 FCAELP Cc1cc(Cl)cnc1NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000658428093 492886897 /nfs/dbraw/zinc/88/68/97/492886897.db2.gz JFRFIDQUULRSCT-UHFFFAOYSA-N 2 2 355.870 0.982 10 0 FCAELP Cc1cc(Cl)cnc1NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000658428093 492886900 /nfs/dbraw/zinc/88/69/00/492886900.db2.gz JFRFIDQUULRSCT-UHFFFAOYSA-N 2 2 355.870 0.982 10 0 FCAELP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000631935471 492891384 /nfs/dbraw/zinc/89/13/84/492891384.db2.gz INJDCLSLRPTHMH-HUUCEWRRSA-N 2 2 359.879 0.605 10 0 FCAELP C[C@H](CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)[NH+](C)Cc1ccccc1 ZINC000631939928 492892740 /nfs/dbraw/zinc/89/27/40/492892740.db2.gz LKGKHTSAUDDCBF-WBVHZDCISA-N 2 2 355.504 0.757 10 0 FCAELP C[C@H](CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)[NH+](C)Cc1ccccc1 ZINC000631939928 492892743 /nfs/dbraw/zinc/89/27/43/492892743.db2.gz LKGKHTSAUDDCBF-WBVHZDCISA-N 2 2 355.504 0.757 10 0 FCAELP C[C@H](CNS(=O)(=O)C[C@@H]1C[NH+](C)CCO1)[N@H+](C)Cc1ccccc1 ZINC000631939928 492892749 /nfs/dbraw/zinc/89/27/49/492892749.db2.gz LKGKHTSAUDDCBF-WBVHZDCISA-N 2 2 355.504 0.757 10 0 FCAELP C[C@H](CNS(=O)(=O)C[C@@H]1C[NH+](C)CCO1)[N@@H+](C)Cc1ccccc1 ZINC000631939928 492892751 /nfs/dbraw/zinc/89/27/51/492892751.db2.gz LKGKHTSAUDDCBF-WBVHZDCISA-N 2 2 355.504 0.757 10 0 FCAELP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)Nc1cnn(CC[NH+]3CCOCC3)c1)C2 ZINC000625865494 492895325 /nfs/dbraw/zinc/89/53/25/492895325.db2.gz NCAKZTUCOIHEDH-HDICACEKSA-N 2 2 362.478 0.679 10 0 FCAELP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652244212 492898535 /nfs/dbraw/zinc/89/85/35/492898535.db2.gz XOWWIZASMZBJBB-MRXNPFEDSA-N 2 2 365.522 0.844 10 0 FCAELP C[NH+](C)C1(CNS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)Cc2ccccc2C1 ZINC000632027824 492913660 /nfs/dbraw/zinc/91/36/60/492913660.db2.gz OZFKDBXOAMPWDH-KRWDZBQOSA-N 2 2 367.515 0.336 10 0 FCAELP C[NH+](C)C1(CNS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)Cc2ccccc2C1 ZINC000632027824 492913664 /nfs/dbraw/zinc/91/36/64/492913664.db2.gz OZFKDBXOAMPWDH-KRWDZBQOSA-N 2 2 367.515 0.336 10 0 FCAELP CCO[C@@H]1CN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@H]1C[NH3+] ZINC000652356371 492914732 /nfs/dbraw/zinc/91/47/32/492914732.db2.gz FROKGRRTDZDMGT-NVXWUHKLSA-N 2 2 366.531 0.688 10 0 FCAELP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)C[C@H]1C[NH3+] ZINC000652357447 492914745 /nfs/dbraw/zinc/91/47/45/492914745.db2.gz PTETVMYORIANFG-LUXYFRNMSA-N 2 2 363.458 0.627 10 0 FCAELP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)C[C@H]1C[NH3+] ZINC000652357447 492914747 /nfs/dbraw/zinc/91/47/47/492914747.db2.gz PTETVMYORIANFG-LUXYFRNMSA-N 2 2 363.458 0.627 10 0 FCAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000652421436 492928031 /nfs/dbraw/zinc/92/80/31/492928031.db2.gz VDHQWFGNWFGMGT-MRXNPFEDSA-N 2 2 359.474 0.575 10 0 FCAELP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@@]3(C)C[NH2+]CCO3)c2)CC1 ZINC000638303195 492931182 /nfs/dbraw/zinc/93/11/82/492931182.db2.gz WUTXSZHIBHFNBA-LJQANCHMSA-N 2 2 360.458 0.668 10 0 FCAELP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@]3(C)C[NH2+]CCO3)cc2)CC1 ZINC000638300107 492931194 /nfs/dbraw/zinc/93/11/94/492931194.db2.gz FGNQNFARIDAEPE-IBGZPJMESA-N 2 2 360.458 0.668 10 0 FCAELP CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000658541077 492938768 /nfs/dbraw/zinc/93/87/68/492938768.db2.gz IKDGMVCSTBMXGZ-UHFFFAOYSA-N 2 2 371.441 0.921 10 0 FCAELP COC[C@]1(C)C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000626173503 492943812 /nfs/dbraw/zinc/94/38/12/492943812.db2.gz WTGQDEBEEXDUEP-IBGZPJMESA-N 2 2 362.474 0.858 10 0 FCAELP COC[C@]1(C)C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000626173503 492943815 /nfs/dbraw/zinc/94/38/15/492943815.db2.gz WTGQDEBEEXDUEP-IBGZPJMESA-N 2 2 362.474 0.858 10 0 FCAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000645627978 492950917 /nfs/dbraw/zinc/95/09/17/492950917.db2.gz ZZTAYHKAWJWZSK-GOEBONIOSA-N 2 2 373.457 0.328 10 0 FCAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000645627978 492950919 /nfs/dbraw/zinc/95/09/19/492950919.db2.gz ZZTAYHKAWJWZSK-GOEBONIOSA-N 2 2 373.457 0.328 10 0 FCAELP CC(C)C[N@H+](C)CCCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000652522760 492960897 /nfs/dbraw/zinc/96/08/97/492960897.db2.gz VPPYHZRBPJOJGB-KRWDZBQOSA-N 2 2 368.522 0.261 10 0 FCAELP CC(C)C[N@@H+](C)CCCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000652522760 492960901 /nfs/dbraw/zinc/96/09/01/492960901.db2.gz VPPYHZRBPJOJGB-KRWDZBQOSA-N 2 2 368.522 0.261 10 0 FCAELP C[N@@H+]1CCO[C@@H](CS(=O)(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000632290770 492967005 /nfs/dbraw/zinc/96/70/05/492967005.db2.gz LDRPMNRVJJAXNW-QZTJIDSGSA-N 2 2 367.515 0.759 10 0 FCAELP C[N@H+]1CCO[C@@H](CS(=O)(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000632290770 492967007 /nfs/dbraw/zinc/96/70/07/492967007.db2.gz LDRPMNRVJJAXNW-QZTJIDSGSA-N 2 2 367.515 0.759 10 0 FCAELP C[NH+]1CCO[C@@H](CS(=O)(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000632290770 492967011 /nfs/dbraw/zinc/96/70/11/492967011.db2.gz LDRPMNRVJJAXNW-QZTJIDSGSA-N 2 2 367.515 0.759 10 0 FCAELP C[NH+]1CCO[C@@H](CS(=O)(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000632290770 492967013 /nfs/dbraw/zinc/96/70/13/492967013.db2.gz LDRPMNRVJJAXNW-QZTJIDSGSA-N 2 2 367.515 0.759 10 0 FCAELP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCC3(C[NH3+])CC3)c2)CC1 ZINC000652635377 492974173 /nfs/dbraw/zinc/97/41/73/492974173.db2.gz UPERCDWQAKHXQW-UHFFFAOYSA-N 2 2 373.501 0.618 10 0 FCAELP CC[C@H](C)[NH2+][C@@H](CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)c1ccco1 ZINC000632328632 492974143 /nfs/dbraw/zinc/97/41/43/492974143.db2.gz FUTUNNCIXQOTMH-KKUMJFAQSA-N 2 2 359.492 0.959 10 0 FCAELP CC[C@H](C)[NH2+][C@@H](CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)c1ccco1 ZINC000632328632 492974145 /nfs/dbraw/zinc/97/41/45/492974145.db2.gz FUTUNNCIXQOTMH-KKUMJFAQSA-N 2 2 359.492 0.959 10 0 FCAELP C[NH2+]Cc1ccccc1CNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000652666888 492982115 /nfs/dbraw/zinc/98/21/15/492982115.db2.gz WPZVIZXTFPNPGC-UHFFFAOYSA-N 2 2 362.474 0.249 10 0 FCAELP C[NH2+]Cc1ccccc1CNC(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000652681654 492987943 /nfs/dbraw/zinc/98/79/43/492987943.db2.gz QAJLSCPDSRZCBN-UHFFFAOYSA-N 2 2 355.442 0.800 10 0 FCAELP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000652689393 492991241 /nfs/dbraw/zinc/99/12/41/492991241.db2.gz UUBPYPQGBMLRIG-SFHVURJKSA-N 2 2 374.485 0.516 10 0 FCAELP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000652689393 492991242 /nfs/dbraw/zinc/99/12/42/492991242.db2.gz UUBPYPQGBMLRIG-SFHVURJKSA-N 2 2 374.485 0.516 10 0 FCAELP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)NCCC3(C[NH3+])CC3)CC2)c1 ZINC000652713082 492998351 /nfs/dbraw/zinc/99/83/51/492998351.db2.gz FYMPSLVNFJHYQI-UHFFFAOYSA-N 2 2 358.486 0.884 10 0 FCAELP CC1(C)[C@H](NS(=O)(=O)CCC[NH+]2CCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000632503186 493015246 /nfs/dbraw/zinc/01/52/46/493015246.db2.gz XDINIMVXCDLTBJ-CVEARBPZSA-N 2 2 359.536 0.891 10 0 FCAELP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000646119963 493016952 /nfs/dbraw/zinc/01/69/52/493016952.db2.gz SPGTWXBMMUYDGR-RTBURBONSA-N 2 2 358.486 0.394 10 0 FCAELP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000646119963 493016954 /nfs/dbraw/zinc/01/69/54/493016954.db2.gz SPGTWXBMMUYDGR-RTBURBONSA-N 2 2 358.486 0.394 10 0 FCAELP O=C(NC[C@@H]1C[NH+]2CCN1CCC2)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646119963 493016958 /nfs/dbraw/zinc/01/69/58/493016958.db2.gz SPGTWXBMMUYDGR-RTBURBONSA-N 2 2 358.486 0.394 10 0 FCAELP O=C(NC[C@@H]1C[NH+]2CCN1CCC2)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646119963 493016962 /nfs/dbraw/zinc/01/69/62/493016962.db2.gz SPGTWXBMMUYDGR-RTBURBONSA-N 2 2 358.486 0.394 10 0 FCAELP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000658741096 493037950 /nfs/dbraw/zinc/03/79/50/493037950.db2.gz GORGLQJSXJGWEY-INIZCTEOSA-N 2 2 373.501 0.945 10 0 FCAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000626865781 493041044 /nfs/dbraw/zinc/04/10/44/493041044.db2.gz BVZSUHYRWLBJPW-ZWKOTPCHSA-N 2 2 373.501 0.629 10 0 FCAELP Cn1c2ccc(NC(=O)C(=O)NCCOCCC[NH3+])cc2[nH+]c1C1CC1 ZINC000626892798 493053306 /nfs/dbraw/zinc/05/33/06/493053306.db2.gz JDRFCTJYUTXPIB-UHFFFAOYSA-N 2 2 359.430 0.871 10 0 FCAELP CCN(C(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000658804965 493062268 /nfs/dbraw/zinc/06/22/68/493062268.db2.gz YVIALEWZGCBEIT-XHSDSOJGSA-N 2 2 354.495 0.107 10 0 FCAELP CCN(C(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000658804965 493062270 /nfs/dbraw/zinc/06/22/70/493062270.db2.gz YVIALEWZGCBEIT-XHSDSOJGSA-N 2 2 354.495 0.107 10 0 FCAELP CCN(C(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000658804965 493062273 /nfs/dbraw/zinc/06/22/73/493062273.db2.gz YVIALEWZGCBEIT-XHSDSOJGSA-N 2 2 354.495 0.107 10 0 FCAELP CCN(C(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000658804965 493062283 /nfs/dbraw/zinc/06/22/83/493062283.db2.gz YVIALEWZGCBEIT-XHSDSOJGSA-N 2 2 354.495 0.107 10 0 FCAELP C[NH2+]CCOCCNC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000626921592 493063872 /nfs/dbraw/zinc/06/38/72/493063872.db2.gz DMHZFKRFAIBFIN-OAHLLOKOSA-N 2 2 369.535 0.572 10 0 FCAELP C[NH2+]CCOCCN(C)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000626924264 493063960 /nfs/dbraw/zinc/06/39/60/493063960.db2.gz MCRVADLWDBYZIA-UHFFFAOYSA-N 2 2 364.490 0.896 10 0 FCAELP C[C@H]1CN(c2ccc(CNC(=O)NCC3([NH3+])CCOCC3)c[nH+]2)CCO1 ZINC000626931889 493066957 /nfs/dbraw/zinc/06/69/57/493066957.db2.gz NVGGEGZGDGSPBH-AWEZNQCLSA-N 2 2 363.462 0.614 10 0 FCAELP Cc1ccc(C[NH+]2CC[C@H](NS(=O)(=O)C[C@H]3C[N@H+](C)CCO3)C2)cc1 ZINC000632706818 493068389 /nfs/dbraw/zinc/06/83/89/493068389.db2.gz SSKNHGSBTZSASH-ZWKOTPCHSA-N 2 2 367.515 0.819 10 0 FCAELP Cc1ccc(C[NH+]2CC[C@H](NS(=O)(=O)C[C@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC000632706818 493068393 /nfs/dbraw/zinc/06/83/93/493068393.db2.gz SSKNHGSBTZSASH-ZWKOTPCHSA-N 2 2 367.515 0.819 10 0 FCAELP Cc1ccc(C[N@H+]2CC[C@H](NS(=O)(=O)C[C@H]3C[NH+](C)CCO3)C2)cc1 ZINC000632706818 493068395 /nfs/dbraw/zinc/06/83/95/493068395.db2.gz SSKNHGSBTZSASH-ZWKOTPCHSA-N 2 2 367.515 0.819 10 0 FCAELP Cc1ccc(C[N@@H+]2CC[C@H](NS(=O)(=O)C[C@H]3C[NH+](C)CCO3)C2)cc1 ZINC000632706818 493068399 /nfs/dbraw/zinc/06/83/99/493068399.db2.gz SSKNHGSBTZSASH-ZWKOTPCHSA-N 2 2 367.515 0.819 10 0 FCAELP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000653109100 493071410 /nfs/dbraw/zinc/07/14/10/493071410.db2.gz SWHJUCWCRHCQOX-CYBMUJFWSA-N 2 2 370.295 0.772 10 0 FCAELP C[C@@H]1CC[C@@H](NC(=O)NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)C[NH2+]1 ZINC000626971070 493072186 /nfs/dbraw/zinc/07/21/86/493072186.db2.gz XYALPBLFPSAOKE-CZUORRHYSA-N 2 2 374.489 0.723 10 0 FCAELP O=C(CCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000653114881 493072706 /nfs/dbraw/zinc/07/27/06/493072706.db2.gz ZTLYIFVYPKEJJM-DLBZAZTESA-N 2 2 371.485 0.767 10 0 FCAELP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000653119889 493073652 /nfs/dbraw/zinc/07/36/52/493073652.db2.gz ZZZVUUYTFBNUBS-KRWDZBQOSA-N 3 2 361.490 0.730 10 0 FCAELP C[NH2+]CCOCCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000626988749 493075781 /nfs/dbraw/zinc/07/57/81/493075781.db2.gz LDEMCOIIAUJDOF-UHFFFAOYSA-N 3 2 355.527 0.472 10 0 FCAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000653127051 493076394 /nfs/dbraw/zinc/07/63/94/493076394.db2.gz XJIZBRVVFVRHKT-DOTOQJQBSA-N 2 2 373.501 0.869 10 0 FCAELP O=C(NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)N[C@H]1CC12CC[NH2+]CC2 ZINC000627120071 493090322 /nfs/dbraw/zinc/09/03/22/493090322.db2.gz ZHCALKLUHXEILK-IRXDYDNUSA-N 2 2 359.474 0.724 10 0 FCAELP O=C(NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)N[C@H]1CC12CC[NH2+]CC2 ZINC000627120071 493090328 /nfs/dbraw/zinc/09/03/28/493090328.db2.gz ZHCALKLUHXEILK-IRXDYDNUSA-N 2 2 359.474 0.724 10 0 FCAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000627166092 493098770 /nfs/dbraw/zinc/09/87/70/493098770.db2.gz PCSCNRMLLQTERI-OWCLPIDISA-N 2 2 351.495 0.465 10 0 FCAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000627170020 493099964 /nfs/dbraw/zinc/09/99/64/493099964.db2.gz COOLKTYMGFLMNM-YESZJQIVSA-N 2 2 365.522 0.855 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)N3CN(CC[NH+](C)C)C(=O)[C@@H]3C)ccc2[nH+]1 ZINC000646820383 493105015 /nfs/dbraw/zinc/10/50/15/493105015.db2.gz ZUTAFFAONMZQMW-ZDUSSCGKSA-N 2 2 372.429 0.160 10 0 FCAELP C[C@@H]1CC[C@@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[NH2+]1 ZINC000627196637 493106132 /nfs/dbraw/zinc/10/61/32/493106132.db2.gz VJYFOQBMXLIHGO-CHWSQXEVSA-N 2 2 358.450 0.335 10 0 FCAELP O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658903787 493107849 /nfs/dbraw/zinc/10/78/49/493107849.db2.gz PGONOPJBHPZQTE-OAHLLOKOSA-N 2 2 357.414 0.330 10 0 FCAELP O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658903787 493107853 /nfs/dbraw/zinc/10/78/53/493107853.db2.gz PGONOPJBHPZQTE-OAHLLOKOSA-N 2 2 357.414 0.330 10 0 FCAELP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000646940396 493129566 /nfs/dbraw/zinc/12/95/66/493129566.db2.gz FLWIGURNDWJQSU-GOEBONIOSA-N 2 2 365.499 0.798 10 0 FCAELP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000646940396 493129569 /nfs/dbraw/zinc/12/95/69/493129569.db2.gz FLWIGURNDWJQSU-GOEBONIOSA-N 2 2 365.499 0.798 10 0 FCAELP C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[NH2+]1 ZINC000627290415 493136106 /nfs/dbraw/zinc/13/61/06/493136106.db2.gz PDLSJRAOTNYSGB-BPQIPLTHSA-N 2 2 374.485 0.260 10 0 FCAELP C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[NH2+]1 ZINC000627290415 493136107 /nfs/dbraw/zinc/13/61/07/493136107.db2.gz PDLSJRAOTNYSGB-BPQIPLTHSA-N 2 2 374.485 0.260 10 0 FCAELP C[NH2+]CCOCCN(C)C(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000627292952 493136607 /nfs/dbraw/zinc/13/66/07/493136607.db2.gz HXXDVZXZIDBTRQ-UHFFFAOYSA-N 2 2 359.430 0.183 10 0 FCAELP Cc1ccn2cc(CNC(=O)C(=O)N3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)[nH+]c2c1 ZINC000627294277 493137646 /nfs/dbraw/zinc/13/76/46/493137646.db2.gz UNNVKTQJPGTNSE-KDURUIRLSA-N 2 2 355.442 0.717 10 0 FCAELP C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C[NH2+]1 ZINC000627312351 493146787 /nfs/dbraw/zinc/14/67/87/493146787.db2.gz WTWPKAQPHQNLGJ-GXTWGEPZSA-N 2 2 359.405 0.884 10 0 FCAELP C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C[NH2+]1 ZINC000627344339 493164438 /nfs/dbraw/zinc/16/44/38/493164438.db2.gz CBWPRJZTJZBGRP-GOEBONIOSA-N 2 2 359.474 0.945 10 0 FCAELP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C[NH2+]1 ZINC000627365614 493180950 /nfs/dbraw/zinc/18/09/50/493180950.db2.gz UMKKNBTWSQWVTK-IAGOWNOFSA-N 2 2 373.501 0.182 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C[C@H](C)[N@H+]1C ZINC000659289334 493184944 /nfs/dbraw/zinc/18/49/44/493184944.db2.gz CGGAAZUQLMEHMN-IXDOHACOSA-N 2 2 366.506 0.251 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C[C@H](C)[N@@H+]1C ZINC000659289334 493184946 /nfs/dbraw/zinc/18/49/46/493184946.db2.gz CGGAAZUQLMEHMN-IXDOHACOSA-N 2 2 366.506 0.251 10 0 FCAELP O=C(CN1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000653827978 493187259 /nfs/dbraw/zinc/18/72/59/493187259.db2.gz AOLOHFHVAVNHHT-DLBZAZTESA-N 2 2 364.515 0.143 10 0 FCAELP O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000627378342 493188414 /nfs/dbraw/zinc/18/84/14/493188414.db2.gz JYGWNZUGMDFMLY-OAHLLOKOSA-N 2 2 357.458 0.567 10 0 FCAELP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000672571553 493208694 /nfs/dbraw/zinc/20/86/94/493208694.db2.gz OBRUZOVDPNGLTI-HOCLYGCPSA-N 2 2 350.507 0.966 10 0 FCAELP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000672571553 493208697 /nfs/dbraw/zinc/20/86/97/493208697.db2.gz OBRUZOVDPNGLTI-HOCLYGCPSA-N 2 2 350.507 0.966 10 0 FCAELP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000659627767 493223029 /nfs/dbraw/zinc/22/30/29/493223029.db2.gz XTZZQATVTLFWMU-SFHVURJKSA-N 2 2 373.501 0.186 10 0 FCAELP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000659627767 493223030 /nfs/dbraw/zinc/22/30/30/493223030.db2.gz XTZZQATVTLFWMU-SFHVURJKSA-N 2 2 373.501 0.186 10 0 FCAELP [NH3+]Cc1cccc(NC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000667054944 493254632 /nfs/dbraw/zinc/25/46/32/493254632.db2.gz OXYYQZWONSSCSS-KRWDZBQOSA-N 2 2 360.458 0.797 10 0 FCAELP C[NH+]1CCN(c2cccc(C(=O)N3CC[N@H+](CCO)C(C)(C)C3)n2)CC1 ZINC000682010744 493261720 /nfs/dbraw/zinc/26/17/20/493261720.db2.gz GNKRWJDLHOLNOU-UHFFFAOYSA-N 2 2 361.490 0.362 10 0 FCAELP C[NH+]1CCN(c2cccc(C(=O)N3CC[N@@H+](CCO)C(C)(C)C3)n2)CC1 ZINC000682010744 493261722 /nfs/dbraw/zinc/26/17/22/493261722.db2.gz GNKRWJDLHOLNOU-UHFFFAOYSA-N 2 2 361.490 0.362 10 0 FCAELP C[NH+]1CCC(CNC(=O)N2CC[C@H](CC(N)=O)C2)([NH+]2CCCCC2)CC1 ZINC000672902534 493264424 /nfs/dbraw/zinc/26/44/24/493264424.db2.gz BIPNACYEMRDAPS-MRXNPFEDSA-N 2 2 365.522 0.844 10 0 FCAELP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000659743831 493282739 /nfs/dbraw/zinc/28/27/39/493282739.db2.gz BKDVWXZMLUBIOS-JKSUJKDBSA-N 2 2 354.495 0.189 10 0 FCAELP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000659745039 493283136 /nfs/dbraw/zinc/28/31/36/493283136.db2.gz OYMJKGBYQHWEIA-UHFFFAOYSA-N 2 2 359.474 0.770 10 0 FCAELP CN(C(=O)C(=O)NCC[C@H]1CCOC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673114742 493291326 /nfs/dbraw/zinc/29/13/26/493291326.db2.gz QIUZMKFYDUDIHQ-DOTOQJQBSA-N 2 2 366.506 0.156 10 0 FCAELP CN(C(=O)C(=O)NCC[C@H]1CCOC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673114742 493291328 /nfs/dbraw/zinc/29/13/28/493291328.db2.gz QIUZMKFYDUDIHQ-DOTOQJQBSA-N 2 2 366.506 0.156 10 0 FCAELP CCN1OC[C@H]([NH+]2CCC(C(=O)NCCC[NH+](CC)CC)CC2)C1=O ZINC000659844448 493295500 /nfs/dbraw/zinc/29/55/00/493295500.db2.gz LLFYORKFCJSPSM-INIZCTEOSA-N 2 2 354.495 0.709 10 0 FCAELP CCN1OC[C@@H]([NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)C1=O ZINC000659941738 493305645 /nfs/dbraw/zinc/30/56/45/493305645.db2.gz CPAODDAWDDDJCU-OAHLLOKOSA-N 2 2 354.495 0.565 10 0 FCAELP C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)CCC[NH+]2CCOCC2)CCO1 ZINC000660157592 493330816 /nfs/dbraw/zinc/33/08/16/493330816.db2.gz QEIOKVZHVLHNCZ-MRXNPFEDSA-N 2 2 363.524 0.081 10 0 FCAELP CO[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCOC1 ZINC000660711722 493375394 /nfs/dbraw/zinc/37/53/94/493375394.db2.gz GENCTQJPDXQBDY-BFYDXBDKSA-N 2 2 354.495 0.506 10 0 FCAELP CO[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCOC1 ZINC000660711722 493375397 /nfs/dbraw/zinc/37/53/97/493375397.db2.gz GENCTQJPDXQBDY-BFYDXBDKSA-N 2 2 354.495 0.506 10 0 FCAELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NCCn2cc[nH+]c2)C1 ZINC000660820982 493382446 /nfs/dbraw/zinc/38/24/46/493382446.db2.gz RYLVQDLROBTHLK-GOSISDBHSA-N 2 2 356.474 0.999 10 0 FCAELP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NCCn2cc[nH+]c2)C1 ZINC000660820982 493382450 /nfs/dbraw/zinc/38/24/50/493382450.db2.gz RYLVQDLROBTHLK-GOSISDBHSA-N 2 2 356.474 0.999 10 0 FCAELP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](Cc3ccc(OCC[NH+](C)C)cc3)C[C@H]21 ZINC000668633622 493387099 /nfs/dbraw/zinc/38/70/99/493387099.db2.gz OZJIYWIPKHUSOR-KSZLIROESA-N 2 2 368.499 0.871 10 0 FCAELP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](Cc3ccc(OCC[NH+](C)C)cc3)C[C@H]21 ZINC000668633622 493387101 /nfs/dbraw/zinc/38/71/01/493387101.db2.gz OZJIYWIPKHUSOR-KSZLIROESA-N 2 2 368.499 0.871 10 0 FCAELP Cc1cn2c([nH+]1)CN(S(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C)CC2 ZINC000684586697 493422290 /nfs/dbraw/zinc/42/22/90/493422290.db2.gz MBOJJUITNMDCDL-UHFFFAOYSA-N 2 2 366.491 0.771 10 0 FCAELP C[C@@H](NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)c1[nH+]ccn1C ZINC000661312318 493426729 /nfs/dbraw/zinc/42/67/29/493426729.db2.gz ONKULQCAFDMKJU-OAHLLOKOSA-N 2 2 364.494 0.577 10 0 FCAELP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000668910118 493435344 /nfs/dbraw/zinc/43/53/44/493435344.db2.gz DGYKDFAWXQEEMN-OWCLPIDISA-N 2 2 366.506 0.297 10 0 FCAELP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000668910118 493435348 /nfs/dbraw/zinc/43/53/48/493435348.db2.gz DGYKDFAWXQEEMN-OWCLPIDISA-N 2 2 366.506 0.297 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CCCCC[C@@H]3C(N)=O)C2)CC1 ZINC000675102429 493467511 /nfs/dbraw/zinc/46/75/11/493467511.db2.gz ZHBVFQFPXSTAHZ-XIRDDKMYSA-N 2 2 365.522 0.888 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CCCCC[C@@H]3C(N)=O)C2)CC1 ZINC000675102429 493467512 /nfs/dbraw/zinc/46/75/12/493467512.db2.gz ZHBVFQFPXSTAHZ-XIRDDKMYSA-N 2 2 365.522 0.888 10 0 FCAELP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)cn1 ZINC000669167746 493471530 /nfs/dbraw/zinc/47/15/30/493471530.db2.gz BBJZZAKSNNMBKL-LBPRGKRZSA-N 2 2 359.434 0.028 10 0 FCAELP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)cn1 ZINC000669167746 493471532 /nfs/dbraw/zinc/47/15/32/493471532.db2.gz BBJZZAKSNNMBKL-LBPRGKRZSA-N 2 2 359.434 0.028 10 0 FCAELP C[N@@H+]1CCCC[C@@H]1CN1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000675720607 493499503 /nfs/dbraw/zinc/49/95/03/493499503.db2.gz DEAOBHXTHKGHLD-QGZVFWFLSA-N 2 2 360.506 0.920 10 0 FCAELP C[N@H+]1CCCC[C@@H]1CN1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000675720607 493499505 /nfs/dbraw/zinc/49/95/05/493499505.db2.gz DEAOBHXTHKGHLD-QGZVFWFLSA-N 2 2 360.506 0.920 10 0 FCAELP O=C(C(=O)N1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1)N1CCCC1 ZINC000662252536 493499954 /nfs/dbraw/zinc/49/99/54/493499954.db2.gz PWLHRJKAWRYYEC-UHFFFAOYSA-N 2 2 356.470 0.599 10 0 FCAELP COc1cc(C[NH+]2CCN(C[C@@H]3C[NH2+]CCO3)CC2)cc(OC)c1OC ZINC000662264477 493501465 /nfs/dbraw/zinc/50/14/65/493501465.db2.gz QAKLBHXZXPYOKL-INIZCTEOSA-N 2 2 365.474 0.818 10 0 FCAELP CC[NH+](CC)CCS(=O)(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000685589554 493505029 /nfs/dbraw/zinc/50/50/29/493505029.db2.gz NNLCFBYKOZINHI-UHFFFAOYSA-N 2 2 374.551 0.144 10 0 FCAELP COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)C1 ZINC000685716617 493509369 /nfs/dbraw/zinc/50/93/69/493509369.db2.gz YKDJENPHNHUDNU-KRWDZBQOSA-N 2 2 362.474 0.754 10 0 FCAELP COCC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)C1 ZINC000685716617 493509370 /nfs/dbraw/zinc/50/93/70/493509370.db2.gz YKDJENPHNHUDNU-KRWDZBQOSA-N 2 2 362.474 0.754 10 0 FCAELP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662406031 493513541 /nfs/dbraw/zinc/51/35/41/493513541.db2.gz SHAHAKSXVHPVCO-DYVFJYSZSA-N 2 2 365.503 0.424 10 0 FCAELP [NH3+]CCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)nn1 ZINC000662455232 493517277 /nfs/dbraw/zinc/51/72/77/493517277.db2.gz VUUSSSZAMQLKRQ-LBPRGKRZSA-N 2 2 364.400 0.909 10 0 FCAELP [NH3+]CCn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)nn1 ZINC000662455232 493517279 /nfs/dbraw/zinc/51/72/79/493517279.db2.gz VUUSSSZAMQLKRQ-LBPRGKRZSA-N 2 2 364.400 0.909 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676089819 493522714 /nfs/dbraw/zinc/52/27/14/493522714.db2.gz NTJUFDMEFNDZTD-CYBMUJFWSA-N 2 2 358.402 0.043 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000662747637 493536994 /nfs/dbraw/zinc/53/69/94/493536994.db2.gz ZZPYXDPTGZPDPP-MRXNPFEDSA-N 2 2 354.401 0.587 10 0 FCAELP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CC[C@H]1F ZINC000662923997 493553808 /nfs/dbraw/zinc/55/38/08/493553808.db2.gz WCRCATNTGFFQKK-ZIAGYGMSSA-N 2 2 354.451 0.290 10 0 FCAELP CCC(CC)[C@@H](C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)[NH+]1CCOCC1 ZINC000670406607 493561527 /nfs/dbraw/zinc/56/15/27/493561527.db2.gz YBQQDIAHOLXQDC-ROUUACIJSA-N 2 2 352.523 0.630 10 0 FCAELP CCC(CC)[C@@H](C(=O)NC[C@H]1C[N@H+]2CCN1CCC2)[NH+]1CCOCC1 ZINC000670406607 493561529 /nfs/dbraw/zinc/56/15/29/493561529.db2.gz YBQQDIAHOLXQDC-ROUUACIJSA-N 2 2 352.523 0.630 10 0 FCAELP CCC(CC)[C@H](C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)[NH+]1CCOCC1 ZINC000670406606 493561691 /nfs/dbraw/zinc/56/16/91/493561691.db2.gz YBQQDIAHOLXQDC-QZTJIDSGSA-N 2 2 352.523 0.630 10 0 FCAELP CCC(CC)[C@H](C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)[NH+]1CCOCC1 ZINC000670406606 493561692 /nfs/dbraw/zinc/56/16/92/493561692.db2.gz YBQQDIAHOLXQDC-QZTJIDSGSA-N 2 2 352.523 0.630 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000663558044 493598296 /nfs/dbraw/zinc/59/82/96/493598296.db2.gz GZKWECGMVFESGM-UHFFFAOYSA-N 3 2 356.559 0.195 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000663558044 493598297 /nfs/dbraw/zinc/59/82/97/493598297.db2.gz GZKWECGMVFESGM-UHFFFAOYSA-N 3 2 356.559 0.195 10 0 FCAELP C[NH+](C)CCC[C@@H]1CN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CCO1 ZINC000663970529 493628214 /nfs/dbraw/zinc/62/82/14/493628214.db2.gz OSTCGROQNQVLCE-MRXNPFEDSA-N 2 2 356.511 0.849 10 0 FCAELP C[NH+](C)CCC[C@@H]1CN(C(=O)NCC[N@H+]2CCOCC2(C)C)CCO1 ZINC000663970529 493628216 /nfs/dbraw/zinc/62/82/16/493628216.db2.gz OSTCGROQNQVLCE-MRXNPFEDSA-N 2 2 356.511 0.849 10 0 FCAELP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000671058868 493628314 /nfs/dbraw/zinc/62/83/14/493628314.db2.gz MWWUJROGONCTPS-QGZVFWFLSA-N 2 2 373.501 0.135 10 0 FCAELP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000671058868 493628317 /nfs/dbraw/zinc/62/83/17/493628317.db2.gz MWWUJROGONCTPS-QGZVFWFLSA-N 2 2 373.501 0.135 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC[NH+]1CCOCC1(C)C ZINC000663970720 493628391 /nfs/dbraw/zinc/62/83/91/493628391.db2.gz RENJVTBNJUJKDN-INIZCTEOSA-N 3 2 357.543 0.668 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC[NH+]1CCOCC1(C)C ZINC000663970720 493628393 /nfs/dbraw/zinc/62/83/93/493628393.db2.gz RENJVTBNJUJKDN-INIZCTEOSA-N 3 2 357.543 0.668 10 0 FCAELP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000663970720 493628394 /nfs/dbraw/zinc/62/83/94/493628394.db2.gz RENJVTBNJUJKDN-INIZCTEOSA-N 3 2 357.543 0.668 10 0 FCAELP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000663970720 493628396 /nfs/dbraw/zinc/62/83/96/493628396.db2.gz 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FCAELP C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[C@@H](C)N1CCOCC1 ZINC000664008707 493630195 /nfs/dbraw/zinc/63/01/95/493630195.db2.gz JRGFZRDKAPQMSD-GVDBMIGSSA-N 2 2 357.543 0.667 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc[nH+]1 ZINC000671108471 493636437 /nfs/dbraw/zinc/63/64/37/493636437.db2.gz YZWTUMJLOFNVLN-JKSUJKDBSA-N 2 2 372.473 0.177 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc[nH+]1 ZINC000671108471 493636439 /nfs/dbraw/zinc/63/64/39/493636439.db2.gz YZWTUMJLOFNVLN-JKSUJKDBSA-N 2 2 372.473 0.177 10 0 FCAELP Cn1cc(N2CCC[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C2)cn1 ZINC000664218661 493645510 /nfs/dbraw/zinc/64/55/10/493645510.db2.gz OUAVHRSLFGHJNW-MRXNPFEDSA-N 2 2 365.526 0.572 10 0 FCAELP Cn1cc(N2CCC[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C2)cn1 ZINC000664218661 493645511 /nfs/dbraw/zinc/64/55/11/493645511.db2.gz OUAVHRSLFGHJNW-MRXNPFEDSA-N 2 2 365.526 0.572 10 0 FCAELP 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0.816 10 0 FCAELP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[C@@H]3OCC[NH+](C)[C@@H]3C2)CCCO1 ZINC000671621482 493698466 /nfs/dbraw/zinc/69/84/66/493698466.db2.gz NXTHORONYQGYDM-ZACQAIPSSA-N 2 2 354.495 0.602 10 0 FCAELP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[C@@H]3OCC[NH+](C)[C@@H]3C2)CCCO1 ZINC000671621482 493698469 /nfs/dbraw/zinc/69/84/69/493698469.db2.gz NXTHORONYQGYDM-ZACQAIPSSA-N 2 2 354.495 0.602 10 0 FCAELP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)CCCO1 ZINC000671621482 493698471 /nfs/dbraw/zinc/69/84/71/493698471.db2.gz NXTHORONYQGYDM-ZACQAIPSSA-N 2 2 354.495 0.602 10 0 FCAELP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)CCCO1 ZINC000671621482 493698474 /nfs/dbraw/zinc/69/84/74/493698474.db2.gz NXTHORONYQGYDM-ZACQAIPSSA-N 2 2 354.495 0.602 10 0 FCAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000671706315 493703526 /nfs/dbraw/zinc/70/35/26/493703526.db2.gz FNLIMHGYWCBJQY-GOSISDBHSA-N 2 2 369.531 0.741 10 0 FCAELP 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ZINC000419714904 535200996 /nfs/dbraw/zinc/20/09/96/535200996.db2.gz UYHWCQFNGKWOBP-UHFFFAOYSA-N 2 2 352.866 0.668 10 0 FCAELP CC(C)([NH3+])CNC(=O)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000419714904 535201004 /nfs/dbraw/zinc/20/10/04/535201004.db2.gz UYHWCQFNGKWOBP-UHFFFAOYSA-N 2 2 352.866 0.668 10 0 FCAELP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000419968520 535305817 /nfs/dbraw/zinc/30/58/17/535305817.db2.gz DUYGJQHMYRTVKT-HZPDHXFCSA-N 2 2 354.495 0.189 10 0 FCAELP CCN1CC[NH+](C[C@H](C)CNC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)CC1 ZINC000419460518 535711964 /nfs/dbraw/zinc/71/19/64/535711964.db2.gz IDRLYDLSXDUNEV-KURKYZTESA-N 2 2 369.554 0.357 10 0 FCAELP CCN1CC[NH+](C[C@H](C)CNC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)CC1 ZINC000419460518 535711970 /nfs/dbraw/zinc/71/19/70/535711970.db2.gz IDRLYDLSXDUNEV-KURKYZTESA-N 2 2 369.554 0.357 10 0 FCAELP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)CC1 ZINC000419460518 535711976 /nfs/dbraw/zinc/71/19/76/535711976.db2.gz IDRLYDLSXDUNEV-KURKYZTESA-N 2 2 369.554 0.357 10 0 FCAELP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)CC1 ZINC000419460518 535711979 /nfs/dbraw/zinc/71/19/79/535711979.db2.gz IDRLYDLSXDUNEV-KURKYZTESA-N 2 2 369.554 0.357 10 0 FCAELP COC(=O)c1ccc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)s1 ZINC000594821333 546835213 /nfs/dbraw/zinc/83/52/13/546835213.db2.gz MWYZFTCHIAZSTO-UHFFFAOYSA-N 2 2 363.505 0.697 10 0 FCAELP COC(=O)c1ccc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)s1 ZINC000594821333 546835218 /nfs/dbraw/zinc/83/52/18/546835218.db2.gz MWYZFTCHIAZSTO-UHFFFAOYSA-N 2 2 363.505 0.697 10 0 FCAELP C[C@H](NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)[C@H]1C[N@H+](C)CCO1 ZINC000152362034 546916347 /nfs/dbraw/zinc/91/63/47/546916347.db2.gz HYUMNYPOHGNEPZ-GVDBMIGSSA-N 2 2 354.495 0.602 10 0 FCAELP C[C@H](NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000152362034 546916351 /nfs/dbraw/zinc/91/63/51/546916351.db2.gz HYUMNYPOHGNEPZ-GVDBMIGSSA-N 2 2 354.495 0.602 10 0 FCAELP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000553459099 547281013 /nfs/dbraw/zinc/28/10/13/547281013.db2.gz HMSCKQSXJUXSCQ-UHFFFAOYSA-N 2 2 361.368 0.614 10 0 FCAELP CCN(CC)C(=O)C[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000105233526 547414157 /nfs/dbraw/zinc/41/41/57/547414157.db2.gz PXUVECLITYAIJO-MRXNPFEDSA-N 2 2 356.511 0.260 10 0 FCAELP CCN(CC)C(=O)C[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000105233526 547414162 /nfs/dbraw/zinc/41/41/62/547414162.db2.gz PXUVECLITYAIJO-MRXNPFEDSA-N 2 2 356.511 0.260 10 0 FCAELP CCN(CC)C(=O)C[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000105233526 547414164 /nfs/dbraw/zinc/41/41/64/547414164.db2.gz PXUVECLITYAIJO-MRXNPFEDSA-N 2 2 356.511 0.260 10 0 FCAELP CCN(CC)C(=O)C[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000105233526 547414167 /nfs/dbraw/zinc/41/41/67/547414167.db2.gz PXUVECLITYAIJO-MRXNPFEDSA-N 2 2 356.511 0.260 10 0 FCAELP CC1(C)CN(C(=O)N[C@H]2CCC[NH+]3CCSC[C@H]23)CC[N@@H+]1CCO ZINC000925163088 665175726 /nfs/dbraw/zinc/17/57/26/665175726.db2.gz ZVNGILYBNIYUCQ-LSDHHAIUSA-N 2 2 356.536 0.664 10 0 FCAELP O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000905361554 666019255 /nfs/dbraw/zinc/01/92/55/666019255.db2.gz HICGPYQHMFPVDT-HZPDHXFCSA-N 2 2 357.520 0.549 10 0 FCAELP C/C(=C\C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)C[NH+]1CCOCC1 ZINC000907988522 666172912 /nfs/dbraw/zinc/17/29/12/666172912.db2.gz BUGWQTJDWOARMT-WBWKYDSYSA-N 2 2 351.491 0.978 10 0 FCAELP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@@H]2CCCC[NH+]2CCO)C1 ZINC000908541804 666211572 /nfs/dbraw/zinc/21/15/72/666211572.db2.gz QZDUXWWVHDFCTL-HOTGVXAUSA-N 2 2 355.479 0.225 10 0 FCAELP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@@H]2CCCC[NH+]2CCO)C1 ZINC000908541804 666211574 /nfs/dbraw/zinc/21/15/74/666211574.db2.gz QZDUXWWVHDFCTL-HOTGVXAUSA-N 2 2 355.479 0.225 10 0 FCAELP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000908541804 666211577 /nfs/dbraw/zinc/21/15/77/666211577.db2.gz QZDUXWWVHDFCTL-HOTGVXAUSA-N 2 2 355.479 0.225 10 0 FCAELP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NC[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000908541804 666211580 /nfs/dbraw/zinc/21/15/80/666211580.db2.gz QZDUXWWVHDFCTL-HOTGVXAUSA-N 2 2 355.479 0.225 10 0 FCAELP CC(C)N1CC[NH+](CCCC(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)CC1 ZINC000910932147 666293837 /nfs/dbraw/zinc/29/38/37/666293837.db2.gz WBKSJABODJPLJO-ROUUACIJSA-N 2 2 354.539 0.706 10 0 FCAELP CC(C)N1CC[NH+](CCCC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)CC1 ZINC000910932147 666293840 /nfs/dbraw/zinc/29/38/40/666293840.db2.gz WBKSJABODJPLJO-ROUUACIJSA-N 2 2 354.539 0.706 10 0 FCAELP COCC[NH+](CCOC)C1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000911859608 666377240 /nfs/dbraw/zinc/37/72/40/666377240.db2.gz LYZTYCHCAIBBHG-OAHLLOKOSA-N 2 2 350.463 0.560 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000912386160 666436538 /nfs/dbraw/zinc/43/65/38/666436538.db2.gz BTEBLLYJGFMBKT-UHFFFAOYSA-N 3 2 354.539 0.877 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000912386160 666436544 /nfs/dbraw/zinc/43/65/44/666436544.db2.gz BTEBLLYJGFMBKT-UHFFFAOYSA-N 3 2 354.539 0.877 10 0 FCAELP C/C(=C/C(=O)N1CCC(C)([NH+]2CCOCC2)CC1)C[NH+]1CCOCC1 ZINC000913152456 666509137 /nfs/dbraw/zinc/50/91/37/666509137.db2.gz PCMZHFFJWPIUHC-ICFOKQHNSA-N 2 2 351.491 0.978 10 0 FCAELP O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000913196770 666515662 /nfs/dbraw/zinc/51/56/62/666515662.db2.gz TZVGKFCTWGVJDM-FUHWJXTLSA-N 2 2 367.877 0.772 10 0 FCAELP O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000913196770 666515665 /nfs/dbraw/zinc/51/56/65/666515665.db2.gz TZVGKFCTWGVJDM-FUHWJXTLSA-N 2 2 367.877 0.772 10 0 FCAELP CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)NC23CC[NH+](CC2)C3)CC1 ZINC000913631132 666636990 /nfs/dbraw/zinc/63/69/90/666636990.db2.gz LQLMDWCQANFDIY-UHFFFAOYSA-N 2 2 352.479 0.940 10 0 FCAELP C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000914064980 666689204 /nfs/dbraw/zinc/68/92/04/666689204.db2.gz WXDCEKMWMQVVPA-HUUCEWRRSA-N 2 2 369.535 0.030 10 0 FCAELP C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000914064980 666689206 /nfs/dbraw/zinc/68/92/06/666689206.db2.gz WXDCEKMWMQVVPA-HUUCEWRRSA-N 2 2 369.535 0.030 10 0 FCAELP C/C(=C/C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)C[NH+]1CCOCC1 ZINC000901161548 666958741 /nfs/dbraw/zinc/95/87/41/666958741.db2.gz CUVBXVNXOPJMFN-FGZPWJTDSA-N 2 2 351.491 0.975 10 0 FCAELP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000917061556 667050578 /nfs/dbraw/zinc/05/05/78/667050578.db2.gz MGBVQDNIWRCOFR-INIZCTEOSA-N 2 2 352.504 0.416 10 0 FCAELP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCN2CCC3)cc1 ZINC000917061556 667050581 /nfs/dbraw/zinc/05/05/81/667050581.db2.gz MGBVQDNIWRCOFR-INIZCTEOSA-N 2 2 352.504 0.416 10 0 FCAELP C[C@H](CNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12)C[NH+]1CCOCC1 ZINC000919734974 667198790 /nfs/dbraw/zinc/19/87/90/667198790.db2.gz XETNEUZLRZAKDQ-OWCLPIDISA-N 2 2 356.536 0.834 10 0 FCAELP C[C@H](CNC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12)C[NH+]1CCOCC1 ZINC000919734974 667198792 /nfs/dbraw/zinc/19/87/92/667198792.db2.gz XETNEUZLRZAKDQ-OWCLPIDISA-N 2 2 356.536 0.834 10 0 FCAELP O=C1C[C@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CN1CC[NH+]1CCOCC1 ZINC000921759347 667476141 /nfs/dbraw/zinc/47/61/41/667476141.db2.gz RJOGLYGTJZMCDW-TVFCKZIOSA-N 2 2 351.491 0.714 10 0 FCAELP CN(C)c1cc[nH+]cc1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000759865154 667824973 /nfs/dbraw/zinc/82/49/73/667824973.db2.gz YYAWABGZXKWHJR-UHFFFAOYSA-N 2 2 354.476 0.386 10 0 FCAELP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000923370025 667828569 /nfs/dbraw/zinc/82/85/69/667828569.db2.gz OJCQSZYTNZPHMC-KBUPBQIOSA-N 2 2 361.552 0.964 10 0 FCAELP CCCN(C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000923499879 667841529 /nfs/dbraw/zinc/84/15/29/667841529.db2.gz NWHKBQYNQKOXBA-QXSJWSMHSA-N 2 2 359.536 0.717 10 0 FCAELP CCCN(C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000923499879 667841530 /nfs/dbraw/zinc/84/15/30/667841530.db2.gz NWHKBQYNQKOXBA-QXSJWSMHSA-N 2 2 359.536 0.717 10 0 FCAELP CN(C)C(=O)CNC(=S)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000741871777 668024363 /nfs/dbraw/zinc/02/43/63/668024363.db2.gz CPPKBYOEANCLFJ-UHFFFAOYSA-N 2 2 355.552 0.489 10 0 FCAELP CN(C)C(=O)C1CC[NH+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790370277 668875707 /nfs/dbraw/zinc/87/57/07/668875707.db2.gz STGBIEHNOIRSMY-SFHVURJKSA-N 2 2 350.463 0.661 10 0 FCAELP CN(C(=O)[C@H]1COC(=O)N1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000827685696 669590798 /nfs/dbraw/zinc/59/07/98/669590798.db2.gz ROBGVATWKZXACN-OAGGEKHMSA-N 2 2 352.479 0.890 10 0 FCAELP CN(C(=O)[C@H]1COC(=O)N1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000827685696 669590800 /nfs/dbraw/zinc/59/08/00/669590800.db2.gz ROBGVATWKZXACN-OAGGEKHMSA-N 2 2 352.479 0.890 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)c1 ZINC000846252629 671095672 /nfs/dbraw/zinc/09/56/72/671095672.db2.gz AWHUHMDEPCQSSF-AWEZNQCLSA-N 2 2 353.467 0.924 10 0 FCAELP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000852087632 671486775 /nfs/dbraw/zinc/48/67/75/671486775.db2.gz OQBKJIZIJRHYBL-HNNXBMFYSA-N 2 2 374.551 0.667 10 0 FCAELP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000852087632 671486778 /nfs/dbraw/zinc/48/67/78/671486778.db2.gz OQBKJIZIJRHYBL-HNNXBMFYSA-N 2 2 374.551 0.667 10 0 FCAELP [NH3+]C[C@H]1CC(C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)=NO1 ZINC000852855845 671527956 /nfs/dbraw/zinc/52/79/56/671527956.db2.gz PKEVRRWWRSUFJW-OAHLLOKOSA-N 2 2 366.849 0.967 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000853965625 671562198 /nfs/dbraw/zinc/56/21/98/671562198.db2.gz UULTXBILLMUSNI-HNNXBMFYSA-N 2 2 358.483 0.091 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000853965625 671562199 /nfs/dbraw/zinc/56/21/99/671562199.db2.gz UULTXBILLMUSNI-HNNXBMFYSA-N 2 2 358.483 0.091 10 0 FCAELP C(C[NH+]1CCOCC1)N1CCC([NH2+][C@H]2CCCN3CCSC[C@@H]23)CC1 ZINC000903270927 675923266 /nfs/dbraw/zinc/92/32/66/675923266.db2.gz JEBNSHAJQRLSRL-OALUTQOASA-N 2 2 368.591 0.952 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccoc1C1(O)CCOCC1 ZINC000855415353 671641937 /nfs/dbraw/zinc/64/19/37/671641937.db2.gz VZVUHXCZFYBMRW-UHFFFAOYSA-N 2 2 353.463 0.891 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccoc1C1(O)CCOCC1 ZINC000855415353 671641940 /nfs/dbraw/zinc/64/19/40/671641940.db2.gz VZVUHXCZFYBMRW-UHFFFAOYSA-N 2 2 353.463 0.891 10 0 FCAELP COc1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cn1 ZINC000903562195 675945068 /nfs/dbraw/zinc/94/50/68/675945068.db2.gz GXPUDWSVUNWXAE-GASCZTMLSA-N 2 2 366.487 0.680 10 0 FCAELP COc1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cn1 ZINC000903562195 675945071 /nfs/dbraw/zinc/94/50/71/675945071.db2.gz GXPUDWSVUNWXAE-GASCZTMLSA-N 2 2 366.487 0.680 10 0 FCAELP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000861733481 671988713 /nfs/dbraw/zinc/98/87/13/671988713.db2.gz XVPOIJPLSRJVCB-NZVBXONLSA-N 2 2 354.401 0.632 10 0 FCAELP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000861733481 671988715 /nfs/dbraw/zinc/98/87/15/671988715.db2.gz XVPOIJPLSRJVCB-NZVBXONLSA-N 2 2 354.401 0.632 10 0 FCAELP CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@]1(CO)COCC2(CCC2)[NH+]1C ZINC000863210941 672104738 /nfs/dbraw/zinc/10/47/38/672104738.db2.gz SPDXYCPWYXCLOT-QAPCUYQASA-N 2 2 370.563 0.551 10 0 FCAELP CC[N@H+]1CCC[C@@H]1CNC(=S)NC[C@]1(CO)COCC2(CCC2)[NH+]1C ZINC000863210941 672104741 /nfs/dbraw/zinc/10/47/41/672104741.db2.gz SPDXYCPWYXCLOT-QAPCUYQASA-N 2 2 370.563 0.551 10 0 FCAELP CC[NH+]1CCC[C@@H]1CNC(=S)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000863210941 672104746 /nfs/dbraw/zinc/10/47/46/672104746.db2.gz SPDXYCPWYXCLOT-QAPCUYQASA-N 2 2 370.563 0.551 10 0 FCAELP CC[NH+]1CCC[C@@H]1CNC(=S)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000863210941 672104750 /nfs/dbraw/zinc/10/47/50/672104750.db2.gz SPDXYCPWYXCLOT-QAPCUYQASA-N 2 2 370.563 0.551 10 0 FCAELP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCN(C(=O)N(C)C)CC2(C)C)cnn1C ZINC000903909991 675981667 /nfs/dbraw/zinc/98/16/67/675981667.db2.gz ZEOOEBJCDINAEB-HNNXBMFYSA-N 2 2 350.511 0.924 10 0 FCAELP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCN(C(=O)N(C)C)CC2(C)C)cnn1C ZINC000903909991 675981672 /nfs/dbraw/zinc/98/16/72/675981672.db2.gz ZEOOEBJCDINAEB-HNNXBMFYSA-N 2 2 350.511 0.924 10 0 FCAELP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000866709144 672290139 /nfs/dbraw/zinc/29/01/39/672290139.db2.gz QNJFBXWQFQTBBP-FRRDWIJNSA-N 2 2 361.427 0.123 10 0 FCAELP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000866709144 672290144 /nfs/dbraw/zinc/29/01/44/672290144.db2.gz QNJFBXWQFQTBBP-FRRDWIJNSA-N 2 2 361.427 0.123 10 0 FCAELP C[N@@H+]1CC[C@H](NS(=O)(=O)N2CC[NH2+]CC2)[C@H]1c1ccc(Cl)cc1 ZINC000923632368 672563673 /nfs/dbraw/zinc/56/36/73/672563673.db2.gz ACJPNLBPCGMRMK-LSDHHAIUSA-N 2 2 358.895 0.825 10 0 FCAELP C[N@H+]1CC[C@H](NS(=O)(=O)N2CC[NH2+]CC2)[C@H]1c1ccc(Cl)cc1 ZINC000923632368 672563677 /nfs/dbraw/zinc/56/36/77/672563677.db2.gz ACJPNLBPCGMRMK-LSDHHAIUSA-N 2 2 358.895 0.825 10 0 FCAELP C(C[NH+]1CCOCC1)N1CCC[C@@H]([NH2+][C@H]2CCOC23CCOCC3)C1 ZINC000926866334 673846473 /nfs/dbraw/zinc/84/64/73/673846473.db2.gz MXXSEMBZYKCUCJ-MSOLQXFVSA-N 2 2 353.507 0.711 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@H]1CCC2(CCOCC2)O1 ZINC000927186349 673854205 /nfs/dbraw/zinc/85/42/05/673854205.db2.gz NNLJEARMNQFHOQ-MRXNPFEDSA-N 2 2 356.511 0.897 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@H]1CCC2(CCOCC2)O1 ZINC000927186349 673854209 /nfs/dbraw/zinc/85/42/09/673854209.db2.gz NNLJEARMNQFHOQ-MRXNPFEDSA-N 2 2 356.511 0.897 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1nc2c(s1)COCC2 ZINC000927691433 673877119 /nfs/dbraw/zinc/87/71/19/673877119.db2.gz VPBUIFHFIOMFLU-UHFFFAOYSA-N 2 2 355.508 0.899 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1nc2c(s1)COCC2 ZINC000927691433 673877122 /nfs/dbraw/zinc/87/71/22/673877122.db2.gz VPBUIFHFIOMFLU-UHFFFAOYSA-N 2 2 355.508 0.899 10 0 FCAELP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCc2nc(C[NH+](C)C)cs2)C1 ZINC000929403396 673954481 /nfs/dbraw/zinc/95/44/81/673954481.db2.gz SFBGWPXJIJDIFA-ZDUSSCGKSA-N 2 2 367.519 0.669 10 0 FCAELP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NCc2nc(C[NH+](C)C)cs2)C1 ZINC000929403396 673954484 /nfs/dbraw/zinc/95/44/84/673954484.db2.gz SFBGWPXJIJDIFA-ZDUSSCGKSA-N 2 2 367.519 0.669 10 0 FCAELP CCOC(=O)c1cc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)on1 ZINC000930166406 674002680 /nfs/dbraw/zinc/00/26/80/674002680.db2.gz FBSTZBADBHLBHF-UHFFFAOYSA-N 2 2 353.419 0.510 10 0 FCAELP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000930206165 674005238 /nfs/dbraw/zinc/00/52/38/674005238.db2.gz KUOCQKXNDWZIQO-CYBMUJFWSA-N 2 2 367.519 0.812 10 0 FCAELP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1c(O)nc[nH]c1=O ZINC000900480732 675686700 /nfs/dbraw/zinc/68/67/00/675686700.db2.gz JAPXOAODOHXUKY-CYBMUJFWSA-N 2 2 351.451 0.305 10 0 FCAELP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1c(O)nc[nH]c1=O ZINC000900480732 675686702 /nfs/dbraw/zinc/68/67/02/675686702.db2.gz JAPXOAODOHXUKY-CYBMUJFWSA-N 2 2 351.451 0.305 10 0 FCAELP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000900683698 675707302 /nfs/dbraw/zinc/70/73/02/675707302.db2.gz OZKOUZSWAAGSFD-IIDMSEBBSA-N 2 2 366.531 0.608 10 0 FCAELP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000900683698 675707305 /nfs/dbraw/zinc/70/73/05/675707305.db2.gz OZKOUZSWAAGSFD-IIDMSEBBSA-N 2 2 366.531 0.608 10 0 FCAELP C/C(=C\C(=O)N1CC[NH+](CC2CCOCC2)CC1)C[NH+]1CCOCC1 ZINC000900759733 675714095 /nfs/dbraw/zinc/71/40/95/675714095.db2.gz ACRUQDRJEQSLFM-SAPNQHFASA-N 2 2 351.491 0.836 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CC(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC001480865729 1167936601 /nfs/dbraw/zinc/93/66/01/1167936601.db2.gz MGBCZMIXLDCWAT-NWDGAFQWSA-N 2 2 352.401 0.443 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CC(=O)NCC(F)(F)F)CC[N@H+]1C ZINC001480865729 1167936607 /nfs/dbraw/zinc/93/66/07/1167936607.db2.gz MGBCZMIXLDCWAT-NWDGAFQWSA-N 2 2 352.401 0.443 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](C)CC(=O)NCC(F)(F)F)CC[NH+]1C ZINC001480865729 1167936615 /nfs/dbraw/zinc/93/66/15/1167936615.db2.gz MGBCZMIXLDCWAT-NWDGAFQWSA-N 2 2 352.401 0.443 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](C)CC(=O)NCC(F)(F)F)CC[NH+]1C ZINC001480865729 1167936624 /nfs/dbraw/zinc/93/66/24/1167936624.db2.gz MGBCZMIXLDCWAT-NWDGAFQWSA-N 2 2 352.401 0.443 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](C[NH2+]CCN1CCNC1=O)C1CC1 ZINC001670523431 1169565740 /nfs/dbraw/zinc/56/57/40/1169565740.db2.gz XYYDMNLVOKIEEN-KFWWJZLASA-N 2 2 360.462 0.033 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)Nc2ccon2)C1 ZINC001266712738 1170172673 /nfs/dbraw/zinc/17/26/73/1170172673.db2.gz BQOASHPZWLUGJK-YVECIDJPSA-N 2 2 358.402 0.387 10 0 FCAELP CC(C)NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001266760747 1170393021 /nfs/dbraw/zinc/39/30/21/1170393021.db2.gz LWRFLFDQILHBEV-ARFHVFGLSA-N 2 2 361.490 0.876 10 0 FCAELP CC(C)NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001266760747 1170393023 /nfs/dbraw/zinc/39/30/23/1170393023.db2.gz LWRFLFDQILHBEV-ARFHVFGLSA-N 2 2 361.490 0.876 10 0 FCAELP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@@H](C[NH2+]CCN2CCCC2=O)C1 ZINC001266793989 1170561658 /nfs/dbraw/zinc/56/16/58/1170561658.db2.gz VSGNVRFPEMYQAZ-ARFHVFGLSA-N 2 2 359.474 0.964 10 0 FCAELP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@@H](C[NH2+]CCN2CCCC2=O)C1 ZINC001266793989 1170561660 /nfs/dbraw/zinc/56/16/60/1170561660.db2.gz VSGNVRFPEMYQAZ-ARFHVFGLSA-N 2 2 359.474 0.964 10 0 FCAELP CN(CC1CC1)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001267045997 1171510955 /nfs/dbraw/zinc/51/09/55/1171510955.db2.gz WCRXAFWOCOPDOZ-ARFHVFGLSA-N 2 2 359.474 0.820 10 0 FCAELP CN(CC1CC1)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001267045997 1171510964 /nfs/dbraw/zinc/51/09/64/1171510964.db2.gz WCRXAFWOCOPDOZ-ARFHVFGLSA-N 2 2 359.474 0.820 10 0 FCAELP CCCCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001267303916 1179484695 /nfs/dbraw/zinc/48/46/95/1179484695.db2.gz TWRRRDWORBVHIF-ARFHVFGLSA-N 2 2 361.490 0.878 10 0 FCAELP CCCCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001267303916 1179484708 /nfs/dbraw/zinc/48/47/08/1179484708.db2.gz TWRRRDWORBVHIF-ARFHVFGLSA-N 2 2 361.490 0.878 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCCS(C)(=O)=O)C1 ZINC001481110910 1182361936 /nfs/dbraw/zinc/36/19/36/1182361936.db2.gz CQXVEQICQAHTDB-RRFJBIMHSA-N 2 2 368.503 0.396 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCCS(C)(=O)=O)C1 ZINC001481110910 1182361944 /nfs/dbraw/zinc/36/19/44/1182361944.db2.gz CQXVEQICQAHTDB-RRFJBIMHSA-N 2 2 368.503 0.396 10 0 FCAELP CC(C)NC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001481496625 1186181873 /nfs/dbraw/zinc/18/18/73/1186181873.db2.gz CQOJQDFMDPBSFV-BZUAXINKSA-N 2 2 361.490 0.829 10 0 FCAELP CC(C)NC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001481496625 1186181875 /nfs/dbraw/zinc/18/18/75/1186181875.db2.gz CQOJQDFMDPBSFV-BZUAXINKSA-N 2 2 361.490 0.829 10 0 FCAELP C[NH+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3c[nH+]cn3C1)C2 ZINC001719837782 1186204735 /nfs/dbraw/zinc/20/47/35/1186204735.db2.gz AZABPZTUUYNMEL-JHNDHUHGSA-N 2 2 359.474 0.645 10 0 FCAELP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001719850190 1186383207 /nfs/dbraw/zinc/38/32/07/1186383207.db2.gz PMPRTACHJSKCPG-QZWWFDLISA-N 2 2 366.506 0.297 10 0 FCAELP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001719850190 1186383212 /nfs/dbraw/zinc/38/32/12/1186383212.db2.gz PMPRTACHJSKCPG-QZWWFDLISA-N 2 2 366.506 0.297 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C/C[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001268592933 1187655454 /nfs/dbraw/zinc/65/54/54/1187655454.db2.gz MUUBNRQOSFUEIV-PPTSTLTQSA-N 2 2 359.474 0.702 10 0 FCAELP CC(C)NC(=O)NCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001268744695 1187768002 /nfs/dbraw/zinc/76/80/02/1187768002.db2.gz AAEBHAJGZJTNCY-RBSFLKMASA-N 2 2 364.494 0.668 10 0 FCAELP CC(C)NC(=O)NCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001268744695 1187768003 /nfs/dbraw/zinc/76/80/03/1187768003.db2.gz AAEBHAJGZJTNCY-RBSFLKMASA-N 2 2 364.494 0.668 10 0 FCAELP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000423247060 1187851646 /nfs/dbraw/zinc/85/16/46/1187851646.db2.gz KPQDRXLCQAPJLX-DLBZAZTESA-N 2 2 368.522 0.532 10 0 FCAELP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000895631773 1189870072 /nfs/dbraw/zinc/87/00/72/1189870072.db2.gz XWIBZDIXQYEYHR-KRWDZBQOSA-N 2 2 366.506 0.110 10 0 FCAELP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000895631773 1189870073 /nfs/dbraw/zinc/87/00/73/1189870073.db2.gz XWIBZDIXQYEYHR-KRWDZBQOSA-N 2 2 366.506 0.110 10 0 FCAELP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895773603 1189882047 /nfs/dbraw/zinc/88/20/47/1189882047.db2.gz DYLFKKHGXCNCMA-IBGZPJMESA-N 2 2 359.470 0.856 10 0 FCAELP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000897439943 1191188927 /nfs/dbraw/zinc/18/89/27/1191188927.db2.gz JZONXWAJEKLSAR-OAHLLOKOSA-N 2 2 356.430 0.402 10 0 FCAELP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000897439943 1191188931 /nfs/dbraw/zinc/18/89/31/1191188931.db2.gz JZONXWAJEKLSAR-OAHLLOKOSA-N 2 2 356.430 0.402 10 0 FCAELP C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C[C@H](C)O1 ZINC000553049912 1193968104 /nfs/dbraw/zinc/96/81/04/1193968104.db2.gz QXGAWBGHSJECEV-KBPBESRZSA-N 2 2 359.430 0.888 10 0 FCAELP C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000898625308 1194054728 /nfs/dbraw/zinc/05/47/28/1194054728.db2.gz GLVDIJAJJIZIBV-FZCLSBEQSA-N 2 2 364.534 0.879 10 0 FCAELP C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000898625308 1194054730 /nfs/dbraw/zinc/05/47/30/1194054730.db2.gz GLVDIJAJJIZIBV-FZCLSBEQSA-N 2 2 364.534 0.879 10 0 FCAELP C[C@@H](C[NH2+]CC(=O)NCc1cccnc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001483236968 1195667946 /nfs/dbraw/zinc/66/79/46/1195667946.db2.gz FQGNHKUTYIEWHP-NWANDNLSSA-N 2 2 356.430 0.319 10 0 FCAELP C[NH+](C)CCn1nccc1C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000907837483 1195714696 /nfs/dbraw/zinc/71/46/96/1195714696.db2.gz TZGLPJJWVOFBRY-UHFFFAOYSA-N 2 2 370.457 0.540 10 0 FCAELP C[NH+](C)CCn1nccc1C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000907837483 1195714699 /nfs/dbraw/zinc/71/46/99/1195714699.db2.gz TZGLPJJWVOFBRY-UHFFFAOYSA-N 2 2 370.457 0.540 10 0 FCAELP COc1cncc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n1 ZINC001483492022 1196313686 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/nfs/dbraw/zinc/45/35/61/1196453561.db2.gz QPCJVSUFINBITH-OKZBNKHCSA-N 2 2 363.506 0.369 10 0 FCAELP CC(C)[NH+]1CC[C@H](C(=O)N2CC[N@@H+](C)[C@H](CO)C2)[C@@H](c2cnn(C)c2)C1 ZINC000913540206 1196453570 /nfs/dbraw/zinc/45/35/70/1196453570.db2.gz QPCJVSUFINBITH-OKZBNKHCSA-N 2 2 363.506 0.369 10 0 FCAELP CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000592182643 1196541391 /nfs/dbraw/zinc/54/13/91/1196541391.db2.gz NDOYYCPYCQKJII-INIZCTEOSA-N 2 2 367.490 0.585 10 0 FCAELP CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000592182643 1196541393 /nfs/dbraw/zinc/54/13/93/1196541393.db2.gz NDOYYCPYCQKJII-INIZCTEOSA-N 2 2 367.490 0.585 10 0 FCAELP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c(C(F)F)n1 ZINC001272443377 1197080339 /nfs/dbraw/zinc/08/03/39/1197080339.db2.gz MUAPNRMZLPWULF-QJPTWQEYSA-N 2 2 368.388 0.451 10 0 FCAELP Cc1ccc(C[NH+]2CCO[C@H](CNC(=O)[C@@]3(C)C[C@H](O)C[N@H+]3C)C2)cc1 ZINC000913756827 1197125360 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PMILRLJUGUQKHJ-HNNXBMFYSA-N 2 2 359.430 0.309 10 0 FCAELP C[C@H]1NC(C(=O)NCC[N@H+](C)CCC[NH+](C)C)=NN(c2ccccc2)C1=O ZINC000855416088 1209669388 /nfs/dbraw/zinc/66/93/88/1209669388.db2.gz FCWVLSCDCSZYQE-OAHLLOKOSA-N 2 2 374.489 0.325 10 0 FCAELP C[C@H]1NC(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)=NN(c2ccccc2)C1=O ZINC000855416088 1209669392 /nfs/dbraw/zinc/66/93/92/1209669392.db2.gz FCWVLSCDCSZYQE-OAHLLOKOSA-N 2 2 374.489 0.325 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)CC1 ZINC000860156700 1209840577 /nfs/dbraw/zinc/84/05/77/1209840577.db2.gz GFILSIXSJWMCDX-CGTJXYLNSA-N 2 2 357.454 0.997 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)CC1 ZINC000860156700 1209840580 /nfs/dbraw/zinc/84/05/80/1209840580.db2.gz GFILSIXSJWMCDX-CGTJXYLNSA-N 2 2 357.454 0.997 10 0 FCAELP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861559879 1209871445 /nfs/dbraw/zinc/87/14/45/1209871445.db2.gz WGPBHFPFLIJLAE-YUELXQCFSA-N 2 2 362.434 0.238 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)N[C@H](C[C@@H]4CCCOC4)C3=O)C2)CC1 ZINC000863504218 1209943489 /nfs/dbraw/zinc/94/34/89/1209943489.db2.gz FPPKXMIAPPHDCC-BHYGNILZSA-N 2 2 364.490 0.892 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)N[C@H](C[C@@H]4CCCOC4)C3=O)C2)CC1 ZINC000863504218 1209943490 /nfs/dbraw/zinc/94/34/90/1209943490.db2.gz FPPKXMIAPPHDCC-BHYGNILZSA-N 2 2 364.490 0.892 10 0 FCAELP COc1ccc(CNC(=O)C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866710288 1210003728 /nfs/dbraw/zinc/00/37/28/1210003728.db2.gz XRCXZHQCKCEFCH-UAGQMJEPSA-N 2 2 374.441 0.178 10 0 FCAELP COc1ccc(CNC(=O)C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866710288 1210003732 /nfs/dbraw/zinc/00/37/32/1210003732.db2.gz XRCXZHQCKCEFCH-UAGQMJEPSA-N 2 2 374.441 0.178 10 0 FCAELP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)C[C@H]1n1cc[nH+]c1 ZINC000867578540 1210014915 /nfs/dbraw/zinc/01/49/15/1210014915.db2.gz QBWHWPYEKJDMPW-QBPKDAKJSA-N 2 2 359.474 0.845 10 0 FCAELP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)C[C@H]1n1cc[nH+]c1 ZINC000867578540 1210014919 /nfs/dbraw/zinc/01/49/19/1210014919.db2.gz QBWHWPYEKJDMPW-QBPKDAKJSA-N 2 2 359.474 0.845 10 0 FCAELP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)c3cn(CC[NH3+])nn3)C2)cc1 ZINC000867998530 1210038597 /nfs/dbraw/zinc/03/85/97/1210038597.db2.gz YCTWTWYNVQZXIJ-MRXNPFEDSA-N 2 2 358.446 0.176 10 0 FCAELP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)c3cn(CC[NH3+])nn3)C2)cc1 ZINC000867998530 1210038599 /nfs/dbraw/zinc/03/85/99/1210038599.db2.gz YCTWTWYNVQZXIJ-MRXNPFEDSA-N 2 2 358.446 0.176 10 0 FCAELP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3[nH]nc4c3C[NH2+]CC4)C2)cc1 ZINC000870980160 1210124368 /nfs/dbraw/zinc/12/43/68/1210124368.db2.gz YBWXPOZWZLKUSQ-INIZCTEOSA-N 2 2 369.469 0.995 10 0 FCAELP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)c3[nH]nc4c3C[NH2+]CC4)C2)cc1 ZINC000870980160 1210124376 /nfs/dbraw/zinc/12/43/76/1210124376.db2.gz YBWXPOZWZLKUSQ-INIZCTEOSA-N 2 2 369.469 0.995 10 0 FCAELP 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C[NH+]1CCC([NH+]2CCC(NC(=O)NCCCN3CCOC3=O)CC2)CC1 ZINC000363471132 1211294365 /nfs/dbraw/zinc/29/43/65/1211294365.db2.gz VIXLRFGMIRBNCI-UHFFFAOYSA-N 2 2 367.494 0.687 10 0 FCAELP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC001275835744 1211294775 /nfs/dbraw/zinc/29/47/75/1211294775.db2.gz OMVASAOILJABQJ-GZBFAFLISA-N 2 2 360.462 0.299 10 0 FCAELP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC001275835744 1211294780 /nfs/dbraw/zinc/29/47/80/1211294780.db2.gz OMVASAOILJABQJ-GZBFAFLISA-N 2 2 360.462 0.299 10 0 FCAELP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC001275835744 1211294783 /nfs/dbraw/zinc/29/47/83/1211294783.db2.gz OMVASAOILJABQJ-GZBFAFLISA-N 2 2 360.462 0.299 10 0 FCAELP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC001275835744 1211294787 /nfs/dbraw/zinc/29/47/87/1211294787.db2.gz OMVASAOILJABQJ-GZBFAFLISA-N 2 2 360.462 0.299 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC[C@H]1C[NH3+] ZINC000926330488 1211531838 /nfs/dbraw/zinc/53/18/38/1211531838.db2.gz NABWOBXXASUJPN-IKGGRYGDSA-N 2 2 366.506 0.143 10 0 FCAELP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC000926366029 1211540751 /nfs/dbraw/zinc/54/07/51/1211540751.db2.gz HTSGHMGFYSVAOZ-KXBFYZLASA-N 2 2 359.474 0.871 10 0 FCAELP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000929428106 1211638536 /nfs/dbraw/zinc/63/85/36/1211638536.db2.gz PXUXCKILOUGWPR-KRWDZBQOSA-N 2 2 368.522 0.404 10 0 FCAELP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000929428106 1211638537 /nfs/dbraw/zinc/63/85/37/1211638537.db2.gz PXUXCKILOUGWPR-KRWDZBQOSA-N 2 2 368.522 0.404 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@]3(C)CCCCO3)C2)CC1 ZINC000930173693 1211694345 /nfs/dbraw/zinc/69/43/45/1211694345.db2.gz LDYJKTSXQJSRMI-BEFAXECRSA-N 2 2 366.506 0.347 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@]3(C)CCCCO3)C2)CC1 ZINC000930173693 1211694347 /nfs/dbraw/zinc/69/43/47/1211694347.db2.gz LDYJKTSXQJSRMI-BEFAXECRSA-N 2 2 366.506 0.347 10 0 FCAELP C[N@@H+]1CCC[C@](O)(CC(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000900014140 1217954631 /nfs/dbraw/zinc/95/46/31/1217954631.db2.gz VQTCVEQFDLWJAY-QUCCMNQESA-N 2 2 361.486 0.850 10 0 FCAELP C[N@H+]1CCC[C@](O)(CC(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000900014140 1217954635 /nfs/dbraw/zinc/95/46/35/1217954635.db2.gz VQTCVEQFDLWJAY-QUCCMNQESA-N 2 2 361.486 0.850 10 0 FCAELP C[NH+]1CCC[C@](O)(CC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000900014140 1217954640 /nfs/dbraw/zinc/95/46/40/1217954640.db2.gz VQTCVEQFDLWJAY-QUCCMNQESA-N 2 2 361.486 0.850 10 0 FCAELP C[NH+]1CCC[C@](O)(CC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000900014140 1217954644 /nfs/dbraw/zinc/95/46/44/1217954644.db2.gz VQTCVEQFDLWJAY-QUCCMNQESA-N 2 2 361.486 0.850 10 0 FCAELP 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C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCCN1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000900164391 1217965732 /nfs/dbraw/zinc/96/57/32/1217965732.db2.gz VXXCKSFDAGVKDA-ZJOUEHCJSA-N 2 2 374.529 0.937 10 0 FCAELP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000900164391 1217965735 /nfs/dbraw/zinc/96/57/35/1217965735.db2.gz VXXCKSFDAGVKDA-ZJOUEHCJSA-N 2 2 374.529 0.937 10 0 FCAELP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000900164391 1217965739 /nfs/dbraw/zinc/96/57/39/1217965739.db2.gz VXXCKSFDAGVKDA-ZJOUEHCJSA-N 2 2 374.529 0.937 10 0 FCAELP C/C(=C/C(=O)NCc1cccnc1N1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000900398555 1217985297 /nfs/dbraw/zinc/98/52/97/1217985297.db2.gz PQSPNYXWLIOOPZ-VKAVYKQESA-N 2 2 373.501 0.728 10 0 FCAELP CC[NH+](CC)CC(=O)N1CCN(C(=O)/C=C(\C)C[NH+]2CCOCC2)CC1 ZINC000900574375 1218007743 /nfs/dbraw/zinc/00/77/43/1218007743.db2.gz JAMAONRYKRUHNG-SAPNQHFASA-N 2 2 366.506 0.278 10 0 FCAELP C/C(=C/C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)C[NH+]1CCOCC1 ZINC000900640807 1218016632 /nfs/dbraw/zinc/01/66/32/1218016632.db2.gz GMKZOTBARHMYMC-PEZBUJJGSA-N 2 2 366.506 0.324 10 0 FCAELP CCOc1ccc(N2CC[NH+](C[C@H](C[NH3+])Cc3cnn(C)c3C)CC2)nn1 ZINC000903933331 1218567660 /nfs/dbraw/zinc/56/76/60/1218567660.db2.gz OZZBRTQRNFVVLY-INIZCTEOSA-N 2 2 373.505 0.857 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC3(COC(=O)N3)CC2)C1 ZINC000784454212 1221243064 /nfs/dbraw/zinc/24/30/64/1221243064.db2.gz LVEGVDWLONXJDJ-OAHLLOKOSA-N 2 2 368.478 0.034 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC3(COC(=O)N3)CC2)C1 ZINC000784454212 1221243069 /nfs/dbraw/zinc/24/30/69/1221243069.db2.gz LVEGVDWLONXJDJ-OAHLLOKOSA-N 2 2 368.478 0.034 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCOCC3CCC3)C2)CC1 ZINC001118130233 1221716764 /nfs/dbraw/zinc/71/67/64/1221716764.db2.gz SSCKKUYTOFSKTG-INIZCTEOSA-N 2 2 366.506 0.204 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCOCC3CCC3)C2)CC1 ZINC001118130233 1221716766 /nfs/dbraw/zinc/71/67/66/1221716766.db2.gz SSCKKUYTOFSKTG-INIZCTEOSA-N 2 2 366.506 0.204 10 0 FCAELP CCN(C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC001118323532 1221759809 /nfs/dbraw/zinc/75/98/09/1221759809.db2.gz CMORWMHUHCSHPG-KRWDZBQOSA-N 2 2 368.522 0.498 10 0 FCAELP CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC001118323532 1221759813 /nfs/dbraw/zinc/75/98/13/1221759813.db2.gz CMORWMHUHCSHPG-KRWDZBQOSA-N 2 2 368.522 0.498 10 0 FCAELP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)cn1 ZINC001119595903 1221938707 /nfs/dbraw/zinc/93/87/07/1221938707.db2.gz HLSJZWUVSPKNLB-ULQDDVLXSA-N 2 2 357.462 0.352 10 0 FCAELP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)cn1 ZINC001119595903 1221938710 /nfs/dbraw/zinc/93/87/10/1221938710.db2.gz HLSJZWUVSPKNLB-ULQDDVLXSA-N 2 2 357.462 0.352 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC001119635613 1221942896 /nfs/dbraw/zinc/94/28/96/1221942896.db2.gz BTFYHFFJIYXKTN-OXQOHEQNSA-N 2 2 374.485 0.204 10 0 FCAELP O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001119726745 1221958239 /nfs/dbraw/zinc/95/82/39/1221958239.db2.gz YGNLMARZJXRZDX-CVEARBPZSA-N 2 2 371.441 0.008 10 0 FCAELP O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001119726745 1221958247 /nfs/dbraw/zinc/95/82/47/1221958247.db2.gz YGNLMARZJXRZDX-CVEARBPZSA-N 2 2 371.441 0.008 10 0 FCAELP CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000830625993 1222478438 /nfs/dbraw/zinc/47/84/38/1222478438.db2.gz NEVJLRVVAUVLGO-UHFFFAOYSA-N 2 2 368.478 0.084 10 0 FCAELP CCOC(=O)N1CCN(C(=O)C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000830625993 1222478441 /nfs/dbraw/zinc/47/84/41/1222478441.db2.gz NEVJLRVVAUVLGO-UHFFFAOYSA-N 2 2 368.478 0.084 10 0 FCAELP Cc1cccn2cc(CCNC(=O)C(=O)N3CC[C@]4(C3)CCC[NH2+]C4)[nH+]c12 ZINC000842129138 1222836059 /nfs/dbraw/zinc/83/60/59/1222836059.db2.gz RRSINROSCNRTNL-HXUWFJFHSA-N 2 2 369.469 0.904 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000848931733 1245386274 /nfs/dbraw/zinc/38/62/74/1245386274.db2.gz GXVGHTXUPCINRM-LUKYLMHMSA-N 2 2 368.522 0.591 10 0 FCAELP Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCC(C)(C)[NH+]2CCOCC2)cn1 ZINC000849482631 1245396278 /nfs/dbraw/zinc/39/62/78/1245396278.db2.gz SALJVTOAJQBYHJ-SJORKVTESA-N 2 2 363.506 0.682 10 0 FCAELP Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)NCC(C)(C)[NH+]2CCOCC2)cn1 ZINC000849482631 1245396285 /nfs/dbraw/zinc/39/62/85/1245396285.db2.gz SALJVTOAJQBYHJ-SJORKVTESA-N 2 2 363.506 0.682 10 0 FCAELP CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+]3CCN2CC3)[C@@H](c2cnn(C)c2)C1 ZINC000849568414 1245401953 /nfs/dbraw/zinc/40/19/53/1245401953.db2.gz NZOYJFBNGSIQMW-CEXWTWQISA-N 2 2 374.533 0.350 10 0 FCAELP CC(C)[N@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+]3CCN2CC3)[C@@H](c2cnn(C)c2)C1 ZINC000849568414 1245401954 /nfs/dbraw/zinc/40/19/54/1245401954.db2.gz NZOYJFBNGSIQMW-CEXWTWQISA-N 2 2 374.533 0.350 10 0 FCAELP 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C[NH+]1C[C@@H]2CN(c3nnc([C@@]4(C)C[C@H](O)C[N@@H+]4C)n3CC3CC3)C[C@]2(C)C1 ZINC001518348281 1265661055 /nfs/dbraw/zinc/66/10/55/1265661055.db2.gz ZUEHBHVEHJVBQK-GIYDNNGJSA-N 2 2 374.533 0.988 10 0 FCAELP C[NH+]1C[C@@H]2CN(c3nnc([C@@]4(C)C[C@H](O)C[N@H+]4C)n3CC3CC3)C[C@]2(C)C1 ZINC001518348281 1265661068 /nfs/dbraw/zinc/66/10/68/1265661068.db2.gz ZUEHBHVEHJVBQK-GIYDNNGJSA-N 2 2 374.533 0.988 10 0 FCAELP C[C@@H]1COCC[C@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001329358073 1265741671 /nfs/dbraw/zinc/74/16/71/1265741671.db2.gz VAZLPJYSHMLHIT-HYVNUMGLSA-N 2 2 366.506 0.155 10 0 FCAELP C[C@@H]1COCC[C@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001329358073 1265741677 /nfs/dbraw/zinc/74/16/77/1265741677.db2.gz VAZLPJYSHMLHIT-HYVNUMGLSA-N 2 2 366.506 0.155 10 0 FCAELP C[NH+](C)CCCCC(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001520329797 1265909034 /nfs/dbraw/zinc/90/90/34/1265909034.db2.gz JNCJAWGLEXCSFG-CVEARBPZSA-N 2 2 361.490 0.991 10 0 FCAELP 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O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001317148576 1263502339 /nfs/dbraw/zinc/50/23/39/1263502339.db2.gz CZZRWPCHCUPBRE-RBSFLKMASA-N 2 2 360.462 0.367 10 0 FCAELP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001317148576 1263502345 /nfs/dbraw/zinc/50/23/45/1263502345.db2.gz CZZRWPCHCUPBRE-RBSFLKMASA-N 2 2 360.462 0.367 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CCOCCO ZINC001485481664 1263508028 /nfs/dbraw/zinc/50/80/28/1263508028.db2.gz FAMJWBDWMIQSNA-GVDBMIGSSA-N 2 2 364.490 0.893 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CCOCCO ZINC001485481664 1263508035 /nfs/dbraw/zinc/50/80/35/1263508035.db2.gz FAMJWBDWMIQSNA-GVDBMIGSSA-N 2 2 364.490 0.893 10 0 FCAELP CCCNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001485884986 1263518205 /nfs/dbraw/zinc/51/82/05/1263518205.db2.gz HWIQKCIQRRWHFZ-YNEHKIRRSA-N 2 2 364.450 0.186 10 0 FCAELP CCN(C)C(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001317801222 1263523251 /nfs/dbraw/zinc/52/32/51/1263523251.db2.gz OAAWZUXYHWZSPC-BZUAXINKSA-N 2 2 361.490 0.830 10 0 FCAELP CCN(C)C(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001317801222 1263523257 /nfs/dbraw/zinc/52/32/57/1263523257.db2.gz OAAWZUXYHWZSPC-BZUAXINKSA-N 2 2 361.490 0.830 10 0 FCAELP CC[N@H+](C)CCC(=O)N(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001492020572 1263632683 /nfs/dbraw/zinc/63/26/83/1263632683.db2.gz IAGIRZYEOYJGEU-BZUAXINKSA-N 2 2 361.490 0.925 10 0 FCAELP CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001492020572 1263632690 /nfs/dbraw/zinc/63/26/90/1263632690.db2.gz IAGIRZYEOYJGEU-BZUAXINKSA-N 2 2 361.490 0.925 10 0 FCAELP CN(CC[NH2+]CCNC(=O)NC(C)(C)C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001493585559 1263730009 /nfs/dbraw/zinc/73/00/09/1263730009.db2.gz WAJFKAAFZOWIQT-CHWSQXEVSA-N 2 2 350.467 0.659 10 0 FCAELP CN(CC[NH2+]CCNC(=O)NC(C)(C)C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001493585559 1263730018 /nfs/dbraw/zinc/73/00/18/1263730018.db2.gz WAJFKAAFZOWIQT-CHWSQXEVSA-N 2 2 350.467 0.659 10 0 FCAELP CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CCN1C(=O)CCC1=O ZINC001319917483 1263743383 /nfs/dbraw/zinc/74/33/83/1263743383.db2.gz KKNMZEQNISXXDK-MCIONIFRSA-N 2 2 361.446 0.393 10 0 FCAELP CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CCN1C(=O)CCC1=O ZINC001319917483 1263743390 /nfs/dbraw/zinc/74/33/90/1263743390.db2.gz KKNMZEQNISXXDK-MCIONIFRSA-N 2 2 361.446 0.393 10 0 FCAELP O=C(C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)N1CCCC1 ZINC001494022878 1263749200 /nfs/dbraw/zinc/74/92/00/1263749200.db2.gz YEMPEEZVNZXSFK-ARFHVFGLSA-N 2 2 359.474 0.964 10 0 FCAELP O=C(C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)N1CCCC1 ZINC001494022878 1263749211 /nfs/dbraw/zinc/74/92/11/1263749211.db2.gz YEMPEEZVNZXSFK-ARFHVFGLSA-N 2 2 359.474 0.964 10 0 FCAELP CCN(CC[NH2+]CC(=O)N1CCCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001320845662 1263869389 /nfs/dbraw/zinc/86/93/89/1263869389.db2.gz IONFKCSHPQOBGD-HZPDHXFCSA-N 2 2 361.490 0.974 10 0 FCAELP CN(C)c1ccccc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001496996966 1263910903 /nfs/dbraw/zinc/91/09/03/1263910903.db2.gz DLHNRBZTDHSPDS-ARFHVFGLSA-N 2 2 357.458 0.846 10 0 FCAELP CN(C)c1ccccc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001496996966 1263910908 /nfs/dbraw/zinc/91/09/08/1263910908.db2.gz DLHNRBZTDHSPDS-ARFHVFGLSA-N 2 2 357.458 0.846 10 0 FCAELP CCc1onc(C)c1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001497056476 1263913999 /nfs/dbraw/zinc/91/39/99/1263913999.db2.gz CDIHGAPYYDSQMA-MGPQQGTHSA-N 2 2 361.446 0.649 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)N[C@@H]([C@@H](O)c4ccncc4)C3=O)C2)CC1 ZINC001333583083 1266640093 /nfs/dbraw/zinc/64/00/93/1266640093.db2.gz PUXUBTXLWANQCL-ULQDDVLXSA-N 2 2 373.457 0.204 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)N[C@@H]([C@@H](O)c4ccncc4)C3=O)C2)CC1 ZINC001333583083 1266640101 /nfs/dbraw/zinc/64/01/01/1266640101.db2.gz PUXUBTXLWANQCL-ULQDDVLXSA-N 2 2 373.457 0.204 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001499928458 1264049840 /nfs/dbraw/zinc/04/98/40/1264049840.db2.gz XEIKJVNKTNQQQB-BFHYXJOUSA-N 2 2 354.476 0.149 10 0 FCAELP CCN(C)C(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCOCC1 ZINC001500572161 1264075188 /nfs/dbraw/zinc/07/51/88/1264075188.db2.gz GLEKZRGYRUHJRW-ZIAGYGMSSA-N 2 2 363.462 0.247 10 0 FCAELP C[C@@H]1[C@H](C(=O)N2CCC[C@@](CO)([NH2+]Cc3csnn3)C2)CC[N@@H+]1C ZINC001502570819 1264177507 /nfs/dbraw/zinc/17/75/07/1264177507.db2.gz SOIFNSZEKWPIAD-XNRPHZJLSA-N 2 2 353.492 0.321 10 0 FCAELP C[C@@H]1[C@H](C(=O)N2CCC[C@@](CO)([NH2+]Cc3csnn3)C2)CC[N@H+]1C ZINC001502570819 1264177511 /nfs/dbraw/zinc/17/75/11/1264177511.db2.gz SOIFNSZEKWPIAD-XNRPHZJLSA-N 2 2 353.492 0.321 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCC[C@H]3CCOC3)CC2)CC1 ZINC001322574173 1264220755 /nfs/dbraw/zinc/22/07/55/1264220755.db2.gz LRVUYAVUPRKIFJ-HNNXBMFYSA-N 2 2 366.506 0.204 10 0 FCAELP C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](C[NH2+]C2CCOCC2)CC3)CC1 ZINC001322774321 1264260890 /nfs/dbraw/zinc/26/08/90/1264260890.db2.gz PXHYMUSOCPVBPG-OAHLLOKOSA-N 2 2 361.490 0.602 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2 ZINC001507350042 1264362656 /nfs/dbraw/zinc/36/26/56/1264362656.db2.gz IVPVQWMLINIZJX-LFEHRJTNSA-N 2 2 362.474 0.646 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2 ZINC001507350042 1264362665 /nfs/dbraw/zinc/36/26/65/1264362665.db2.gz IVPVQWMLINIZJX-LFEHRJTNSA-N 2 2 362.474 0.646 10 0 FCAELP CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001507434780 1264362863 /nfs/dbraw/zinc/36/28/63/1264362863.db2.gz CORZGDXOSBCOIW-IIAWOOMASA-N 2 2 359.474 0.866 10 0 FCAELP Cc1nccnc1C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001507504931 1264366770 /nfs/dbraw/zinc/36/67/70/1264366770.db2.gz GRHKXTNCSZGLRO-RBSFLKMASA-N 2 2 358.446 0.231 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N2CC([C@@H](C)NC(=O)Cc3[nH]c[nH+]c3C)C2)CC[N@@H+]1C ZINC001509478328 1264455992 /nfs/dbraw/zinc/45/59/92/1264455992.db2.gz TZWASCZUJPJUAN-ISTRZQFTSA-N 2 2 361.490 0.954 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N2CC([C@@H](C)NC(=O)Cc3[nH]c[nH+]c3C)C2)CC[N@H+]1C ZINC001509478328 1264455998 /nfs/dbraw/zinc/45/59/98/1264455998.db2.gz TZWASCZUJPJUAN-ISTRZQFTSA-N 2 2 361.490 0.954 10 0 FCAELP CC[NH+](CC)CC(=O)N1CC[C@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]21 ZINC001512815079 1264669187 /nfs/dbraw/zinc/66/91/87/1264669187.db2.gz HLBPNKVGOZNFSS-JKSUJKDBSA-N 2 2 361.490 0.754 10 0 FCAELP CO[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001513421202 1265112772 /nfs/dbraw/zinc/11/27/72/1265112772.db2.gz FPXNWAZBKPOTKY-RBSFLKMASA-N 2 2 351.451 0.128 10 0 FCAELP Cc1cc(C[NH2+]C[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)[nH]n1 ZINC001327191508 1265250261 /nfs/dbraw/zinc/25/02/61/1265250261.db2.gz RYRUJKXCYJETAB-OAHLLOKOSA-N 2 2 371.489 0.654 10 0 FCAELP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NC[C@@]2(CO)COCC[NH2+]2)c1 ZINC001332702236 1266463620 /nfs/dbraw/zinc/46/36/20/1266463620.db2.gz FSZKFOWHLSQKOO-AZUAARDMSA-N 2 2 361.486 0.817 10 0 FCAELP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)NC[C@@]2(CO)COCC[NH2+]2)c1 ZINC001332702236 1266463623 /nfs/dbraw/zinc/46/36/23/1266463623.db2.gz FSZKFOWHLSQKOO-AZUAARDMSA-N 2 2 361.486 0.817 10 0 FCAELP C[N@@H+]1CC[C@H](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCn2cc[nH+]c2)C3)C1 ZINC001522310945 1266484984 /nfs/dbraw/zinc/48/49/84/1266484984.db2.gz UAGOKMBNDXIMEX-VQHPVUNQSA-N 2 2 359.474 0.863 10 0 FCAELP C[N@H+]1CC[C@H](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCn2cc[nH+]c2)C3)C1 ZINC001522310945 1266484989 /nfs/dbraw/zinc/48/49/89/1266484989.db2.gz UAGOKMBNDXIMEX-VQHPVUNQSA-N 2 2 359.474 0.863 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCCCNC(=O)[C@@H](c2cccnc2)[NH+](C)C)CC[N@@H+]1C ZINC001522926610 1266591021 /nfs/dbraw/zinc/59/10/21/1266591021.db2.gz RPIXEWLSANGLOA-DJIMGWMZSA-N 2 2 361.490 0.647 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCCCNC(=O)[C@@H](c2cccnc2)[NH+](C)C)CC[N@H+]1C ZINC001522926610 1266591025 /nfs/dbraw/zinc/59/10/25/1266591025.db2.gz RPIXEWLSANGLOA-DJIMGWMZSA-N 2 2 361.490 0.647 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC2CC(CNC(=O)CCc3[nH+]ccn3C)C2)CC[N@@H+]1C ZINC001333702159 1266683286 /nfs/dbraw/zinc/68/32/86/1266683286.db2.gz RQGKFMVLHBLJOY-PRLABOORSA-N 2 2 361.490 0.704 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC2CC(CNC(=O)CCc3[nH+]ccn3C)C2)CC[N@H+]1C ZINC001333702159 1266683295 /nfs/dbraw/zinc/68/32/95/1266683295.db2.gz RQGKFMVLHBLJOY-PRLABOORSA-N 2 2 361.490 0.704 10 0 FCAELP CC[N@H+](C)CCC(=O)NCC1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001333784421 1266714557 /nfs/dbraw/zinc/71/45/57/1266714557.db2.gz XXOGJBZHTMUWFQ-QDIHITRGSA-N 2 2 361.490 0.876 10 0 FCAELP CC[N@@H+](C)CCC(=O)NCC1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001333784421 1266714564 /nfs/dbraw/zinc/71/45/64/1266714564.db2.gz XXOGJBZHTMUWFQ-QDIHITRGSA-N 2 2 361.490 0.876 10 0 FCAELP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)NC(=O)Cn1c[nH+]cc1C ZINC001531496254 1267137605 /nfs/dbraw/zinc/13/76/05/1267137605.db2.gz KCGRCIBYJHFGOY-RRFJBIMHSA-N 2 2 358.446 0.740 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccsc1S(N)(=O)=O ZINC001542934044 1267512072 /nfs/dbraw/zinc/51/20/72/1267512072.db2.gz IRJZIRWJWZXWNL-UHFFFAOYSA-N 2 2 374.532 0.494 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccsc1S(N)(=O)=O ZINC001542934044 1267512080 /nfs/dbraw/zinc/51/20/80/1267512080.db2.gz IRJZIRWJWZXWNL-UHFFFAOYSA-N 2 2 374.532 0.494 10 0 FCAELP CC[N@@H+]1CC[C@@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001544375215 1267578746 /nfs/dbraw/zinc/57/87/46/1267578746.db2.gz DXMLRKDCECSGHD-QGZVFWFLSA-N 2 2 366.506 0.158 10 0 FCAELP CC[N@H+]1CC[C@@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001544375215 1267578750 /nfs/dbraw/zinc/57/87/50/1267578750.db2.gz DXMLRKDCECSGHD-QGZVFWFLSA-N 2 2 366.506 0.158 10 0 FCAELP CC(C)N(CCN(C)C(=O)Cc1c[nH+]cn1C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001338741894 1268070854 /nfs/dbraw/zinc/07/08/54/1268070854.db2.gz SFJOHFBXQXOVED-NVXWUHKLSA-N 2 2 363.506 0.998 10 0 FCAELP CC(C)N(CCN(C)C(=O)Cc1c[nH+]cn1C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001338741894 1268070866 /nfs/dbraw/zinc/07/08/66/1268070866.db2.gz SFJOHFBXQXOVED-NVXWUHKLSA-N 2 2 363.506 0.998 10 0 FCAELP CO[C@H]1CC[C@H]1N(C)C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001340617007 1268605598 /nfs/dbraw/zinc/60/55/98/1268605598.db2.gz UTIQFKBFOWIBSW-SJORKVTESA-N 2 2 366.506 0.297 10 0 FCAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)Nc2ccon2)C1 ZINC001565916804 1269516452 /nfs/dbraw/zinc/51/64/52/1269516452.db2.gz QJXZIXPGQOZNRD-QWHCGFSZSA-N 2 2 360.418 0.762 10 0 FCAELP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001565957108 1269531088 /nfs/dbraw/zinc/53/10/88/1269531088.db2.gz YODDIAMNUJTHML-SQWLQELKSA-N 2 2 363.462 0.003 10 0 FCAELP CCS(=O)(=O)CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001566092681 1269596898 /nfs/dbraw/zinc/59/68/98/1269596898.db2.gz FMOVMDFDOXYGTC-ZBFHGGJFSA-N 2 2 359.536 0.875 10 0 FCAELP CCS(=O)(=O)CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001566092681 1269596907 /nfs/dbraw/zinc/59/69/07/1269596907.db2.gz FMOVMDFDOXYGTC-ZBFHGGJFSA-N 2 2 359.536 0.875 10 0 FCAELP CCS(=O)(=O)CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001566092681 1269596911 /nfs/dbraw/zinc/59/69/11/1269596911.db2.gz FMOVMDFDOXYGTC-ZBFHGGJFSA-N 2 2 359.536 0.875 10 0 FCAELP CCS(=O)(=O)CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H]1C ZINC001566092681 1269596925 /nfs/dbraw/zinc/59/69/25/1269596925.db2.gz FMOVMDFDOXYGTC-ZBFHGGJFSA-N 2 2 359.536 0.875 10 0 FCAELP C[C@H](C[NH2+]CC1(CS(C)(=O)=O)CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001568279475 1269726666 /nfs/dbraw/zinc/72/66/66/1269726666.db2.gz NVRKSQGYZCUZBM-MGPQQGTHSA-N 2 2 368.503 0.775 10 0 FCAELP C[C@H](C[NH2+]CC1(CS(C)(=O)=O)CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001568279475 1269726675 /nfs/dbraw/zinc/72/66/75/1269726675.db2.gz NVRKSQGYZCUZBM-MGPQQGTHSA-N 2 2 368.503 0.775 10 0 FCAELP C[C@@H](C[NH2+]CC(=O)Nc1nncs1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001569080781 1269762699 /nfs/dbraw/zinc/76/26/99/1269762699.db2.gz KUJCPZVVTXZYEP-HBNTYKKESA-N 2 2 363.447 0.108 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1(C)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001569704807 1269797280 /nfs/dbraw/zinc/79/72/80/1269797280.db2.gz CENYESPXPUCHBA-KFWWJZLASA-N 2 2 359.474 0.630 10 0 FCAELP Cc1cc(C[N@H+]2CC[C@@](O)(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)on1 ZINC001569757640 1269802712 /nfs/dbraw/zinc/80/27/12/1269802712.db2.gz MLRCCIQHEBDBLG-IIDMSEBBSA-N 2 2 359.430 0.573 10 0 FCAELP Cc1cc(C[N@@H+]2CC[C@@](O)(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)on1 ZINC001569757640 1269802725 /nfs/dbraw/zinc/80/27/25/1269802725.db2.gz MLRCCIQHEBDBLG-IIDMSEBBSA-N 2 2 359.430 0.573 10 0 FCAELP C[C@H](CC(=O)N[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1O)n1cc[nH+]c1 ZINC001343383513 1269887986 /nfs/dbraw/zinc/88/79/86/1269887986.db2.gz GWSYXSPOKXGXPV-OAGGEKHMSA-N 2 2 365.478 0.254 10 0 FCAELP C[C@@H](O)CCC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001570494069 1269894296 /nfs/dbraw/zinc/89/42/96/1269894296.db2.gz YUWRVFYXTBJSJB-RBSFLKMASA-N 2 2 350.463 0.617 10 0 FCAELP C[C@@H](O)CCC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001570494069 1269894305 /nfs/dbraw/zinc/89/43/05/1269894305.db2.gz YUWRVFYXTBJSJB-RBSFLKMASA-N 2 2 350.463 0.617 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2nnc(C(C)(C)C)[nH]2)CC[N@@H+]1C ZINC001571430366 1269933318 /nfs/dbraw/zinc/93/33/18/1269933318.db2.gz WRYUZRNYADCIOY-JHJVBQTASA-N 2 2 352.483 0.009 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2nnc(C(C)(C)C)[nH]2)CC[N@H+]1C ZINC001571430366 1269933326 /nfs/dbraw/zinc/93/33/26/1269933326.db2.gz WRYUZRNYADCIOY-JHJVBQTASA-N 2 2 352.483 0.009 10 0 FCAELP COC[C@H](O)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001571650319 1269949943 /nfs/dbraw/zinc/94/99/43/1269949943.db2.gz NNUVTCNASJNCMR-RKTXRCNFSA-N 2 2 364.490 0.748 10 0 FCAELP CC[NH+](CC)CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001344485106 1270186691 /nfs/dbraw/zinc/18/66/91/1270186691.db2.gz CYAKOJMKLCKABQ-IKGGRYGDSA-N 2 2 368.522 0.402 10 0 FCAELP CC[NH+](CC)CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001344485106 1270186696 /nfs/dbraw/zinc/18/66/96/1270186696.db2.gz CYAKOJMKLCKABQ-IKGGRYGDSA-N 2 2 368.522 0.402 10 0 FCAELP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001572916419 1270345912 /nfs/dbraw/zinc/34/59/12/1270345912.db2.gz TXRLAFRQRJFNMT-KLHDSHLOSA-N 2 2 361.490 0.656 10 0 FCAELP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001572916419 1270345919 /nfs/dbraw/zinc/34/59/19/1270345919.db2.gz TXRLAFRQRJFNMT-KLHDSHLOSA-N 2 2 361.490 0.656 10 0 FCAELP CC[C@H](C(=O)N[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1O)[NH+](CC)CC ZINC001573031848 1270544366 /nfs/dbraw/zinc/54/43/66/1270544366.db2.gz KFGGDCHEMZBLQW-OAGGEKHMSA-N 2 2 365.478 0.151 10 0 FCAELP CC[C@H](C(=O)N[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1O)[NH+](CC)CC ZINC001573031848 1270544369 /nfs/dbraw/zinc/54/43/69/1270544369.db2.gz KFGGDCHEMZBLQW-OAGGEKHMSA-N 2 2 365.478 0.151 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)CCc1c[nH+]cn1C ZINC001573582498 1270837498 /nfs/dbraw/zinc/83/74/98/1270837498.db2.gz IKNRWRHHMYLXLP-ZBFHGGJFSA-N 2 2 361.490 0.800 10 0 FCAELP COc1cc[nH+]cc1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001574581315 1271380630 /nfs/dbraw/zinc/38/06/30/1271380630.db2.gz XEWYKFURGIGMCH-OAGGEKHMSA-N 2 2 360.458 0.833 10 0 FCAELP O=C(NCCNC(=O)C1CC[NH+](CC2CC2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001575427766 1272096103 /nfs/dbraw/zinc/09/61/03/1272096103.db2.gz XEILEVBZCCPIHU-HZPDHXFCSA-N 2 2 359.474 0.868 10 0 FCAELP O=C(NCCNC(=O)C1CC[NH+](CC2CC2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001575427766 1272096118 /nfs/dbraw/zinc/09/61/18/1272096118.db2.gz XEILEVBZCCPIHU-HZPDHXFCSA-N 2 2 359.474 0.868 10 0 FCAELP C[C@@H]([NH2+]CC(=O)N(C)C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001713680174 1287291451 /nfs/dbraw/zinc/29/14/51/1287291451.db2.gz HQLLGVAYXAGSSG-FVQBIDKESA-N 2 2 361.490 0.829 10 0 FCAELP CN(CCN1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001713742646 1287293572 /nfs/dbraw/zinc/29/35/72/1287293572.db2.gz DOMJSAYGJMJQMB-BRWVUGGUSA-N 2 2 361.490 0.626 10 0 FCAELP CO[C@H](C)C[NH+]1CCN(CCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001713801814 1287299439 /nfs/dbraw/zinc/29/94/39/1287299439.db2.gz UDXRLGREXDEIKX-BRWVUGGUSA-N 2 2 363.506 0.682 10 0 FCAELP CC1CC(C[NH2+]CCN(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001714736838 1287332203 /nfs/dbraw/zinc/33/22/03/1287332203.db2.gz PYIQGBLKHRVITA-HIEASXQVSA-N 2 2 353.507 0.960 10 0 FCAELP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CC(=O)Nc1cnccn1 ZINC001715080745 1287342927 /nfs/dbraw/zinc/34/29/27/1287342927.db2.gz MRBQIVBZOOEYBK-MGPQQGTHSA-N 2 2 371.445 0.437 10 0 FCAELP Cc1ncc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)o1 ZINC001715986293 1287367343 /nfs/dbraw/zinc/36/73/43/1287367343.db2.gz JGIJEVOXNXRBDW-LXZKKBNFSA-N 2 2 366.462 0.457 10 0 FCAELP Cc1nnc(NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)s1 ZINC001716479809 1287380982 /nfs/dbraw/zinc/38/09/82/1287380982.db2.gz HBCZFZWQAPPWCN-DMDPSCGWSA-N 2 2 368.507 0.562 10 0 FCAELP Cc1nnc(NC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)s1 ZINC001716479809 1287380984 /nfs/dbraw/zinc/38/09/84/1287380984.db2.gz HBCZFZWQAPPWCN-DMDPSCGWSA-N 2 2 368.507 0.562 10 0 FCAELP Cc1nnc(NC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001716479809 1287380987 /nfs/dbraw/zinc/38/09/87/1287380987.db2.gz HBCZFZWQAPPWCN-DMDPSCGWSA-N 2 2 368.507 0.562 10 0 FCAELP Cc1nnc(NC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001716479809 1287380988 /nfs/dbraw/zinc/38/09/88/1287380988.db2.gz HBCZFZWQAPPWCN-DMDPSCGWSA-N 2 2 368.507 0.562 10 0 FCAELP CCn1nncc1C[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC001716622076 1287384030 /nfs/dbraw/zinc/38/40/30/1287384030.db2.gz ZCSMTWNGMIDILC-OAGGEKHMSA-N 2 2 357.462 0.820 10 0 FCAELP O=C(NCC1([NH2+]C[C@@H]2CCOC2)CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001716689258 1287386464 /nfs/dbraw/zinc/38/64/64/1287386464.db2.gz QPFTVLMITALSDF-BBWFWOEESA-N 2 2 367.490 0.141 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](C[NH2+]CCn1cncn1)C(C)(C)C ZINC001717968295 1287450416 /nfs/dbraw/zinc/45/04/16/1287450416.db2.gz XHUXHGGZNRNRKW-IIAWOOMASA-N 2 2 359.478 0.936 10 0 FCAELP O=C(NC/C=C\CNC(=O)C12CCC[NH+]1CCC2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001583446911 1282090695 /nfs/dbraw/zinc/09/06/95/1282090695.db2.gz AKENWZGOJWBRCB-LHBIUNCVSA-N 2 2 357.458 0.930 10 0 FCAELP O=C(NC/C=C\CNC(=O)C12CCC[NH+]1CCC2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001583446911 1282090702 /nfs/dbraw/zinc/09/07/02/1282090702.db2.gz AKENWZGOJWBRCB-LHBIUNCVSA-N 2 2 357.458 0.930 10 0 FCAELP C[NH+](C)CCC(=O)N1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001585329607 1282221647 /nfs/dbraw/zinc/22/16/47/1282221647.db2.gz QAZNRVNOZSBIKQ-CLCXKQKWSA-N 2 2 359.474 0.916 10 0 FCAELP C[NH+](C)CCC(=O)N1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001585329607 1282221657 /nfs/dbraw/zinc/22/16/57/1282221657.db2.gz QAZNRVNOZSBIKQ-CLCXKQKWSA-N 2 2 359.474 0.916 10 0 FCAELP C[NH+](C)CCC(=O)N1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001585329608 1282221722 /nfs/dbraw/zinc/22/17/22/1282221722.db2.gz QAZNRVNOZSBIKQ-SPYBWZPUSA-N 2 2 359.474 0.916 10 0 FCAELP C[NH+](C)CCC(=O)N1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001585329608 1282221729 /nfs/dbraw/zinc/22/17/29/1282221729.db2.gz QAZNRVNOZSBIKQ-SPYBWZPUSA-N 2 2 359.474 0.916 10 0 FCAELP C[NH+](C)CCOCCNC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC001681741389 1283509080 /nfs/dbraw/zinc/50/90/80/1283509080.db2.gz AFVDJHRYMJOVRG-UHFFFAOYSA-N 2 2 372.510 0.670 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001702778345 1285855481 /nfs/dbraw/zinc/85/54/81/1285855481.db2.gz WUXWAHICRHJJEX-QCBUCWTNSA-N 2 2 373.501 0.782 10 0 FCAELP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001702944764 1286014875 /nfs/dbraw/zinc/01/48/75/1286014875.db2.gz OMEPLAXJHGDDEW-FSDCSDTHSA-N 2 2 359.474 0.645 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCCCNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1C ZINC001703378132 1286101668 /nfs/dbraw/zinc/10/16/68/1286101668.db2.gz RBMZPWOKHKRYEY-HRCADAONSA-N 2 2 361.490 0.798 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCCCNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@H+]1C ZINC001703378132 1286101674 /nfs/dbraw/zinc/10/16/74/1286101674.db2.gz RBMZPWOKHKRYEY-HRCADAONSA-N 2 2 361.490 0.798 10 0 FCAELP C[NH+](C)CC1(C(=O)N2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001704096330 1286183811 /nfs/dbraw/zinc/18/38/11/1286183811.db2.gz AGFRZFKTADTODZ-RRFJBIMHSA-N 2 2 359.474 0.820 10 0 FCAELP C[NH+](C)CC1(C(=O)N2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001704096330 1286183814 /nfs/dbraw/zinc/18/38/14/1286183814.db2.gz AGFRZFKTADTODZ-RRFJBIMHSA-N 2 2 359.474 0.820 10 0 FCAELP CCO[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1C[NH2+]CCO ZINC001707148846 1286472924 /nfs/dbraw/zinc/47/29/24/1286472924.db2.gz FWBHGLYOLCIZSJ-BPQIPLTHSA-N 2 2 369.506 0.075 10 0 FCAELP CCO[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[C@H]1C[NH2+]CCO ZINC001707148846 1286472929 /nfs/dbraw/zinc/47/29/29/1286472929.db2.gz FWBHGLYOLCIZSJ-BPQIPLTHSA-N 2 2 369.506 0.075 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[N@@H+]1CCOCCO ZINC001707196968 1286503743 /nfs/dbraw/zinc/50/37/43/1286503743.db2.gz VSTQALLWMFCELO-HYVNUMGLSA-N 2 2 350.463 0.424 10 0 FCAELP 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OMWZFDWCLRAVNR-MHORFTMASA-N 2 2 351.491 0.809 10 0 FCAELP O=C(CC[N@@H+]1CC[C@@]2(CNC(=O)C2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000278845470 488899740 /nfs/dbraw/zinc/89/97/40/488899740.db2.gz JSAXFKTVPDRFOJ-LJQANCHMSA-N 2 2 357.458 0.332 10 0 FCAELP O=C(CC[N@H+]1CC[C@@]2(CNC(=O)C2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000278845470 488899742 /nfs/dbraw/zinc/89/97/42/488899742.db2.gz JSAXFKTVPDRFOJ-LJQANCHMSA-N 2 2 357.458 0.332 10 0 FCAELP C[C@@H]1CN(c2cc[nH+]c(N3CCOCC3)n2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000364003483 488912229 /nfs/dbraw/zinc/91/22/29/488912229.db2.gz VVHDUYHQFZPVPI-SJORKVTESA-N 2 2 360.506 0.775 10 0 FCAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC[C@@]4(C3)NC(=O)NC4=O)c2cc1C ZINC000279113125 488918044 /nfs/dbraw/zinc/91/80/44/488918044.db2.gz STACKGWLLAVGGH-LIRRHRJNSA-N 2 2 371.441 0.688 10 0 FCAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC[C@@]4(C3)NC(=O)NC4=O)c2cc1C ZINC000279113125 488918047 /nfs/dbraw/zinc/91/80/47/488918047.db2.gz STACKGWLLAVGGH-LIRRHRJNSA-N 2 2 371.441 0.688 10 0 FCAELP C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000052740567 488180029 /nfs/dbraw/zinc/18/00/29/488180029.db2.gz MGHADLOKHZUBBP-INIZCTEOSA-N 2 2 360.458 0.668 10 0 FCAELP C[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000052740567 488180034 /nfs/dbraw/zinc/18/00/34/488180034.db2.gz MGHADLOKHZUBBP-INIZCTEOSA-N 2 2 360.458 0.668 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[NH+](CCO)CC2)CC1 ZINC000052876585 488185986 /nfs/dbraw/zinc/18/59/86/488185986.db2.gz QUYPZEOQMOIZCQ-SFHVURJKSA-N 2 2 360.502 0.502 10 0 FCAELP C[NH+]1CCC(n2ccc(NC(=O)N3CC[C@@H]4OCC[N@H+](C)[C@H]4C3)n2)CC1 ZINC000329106070 488969863 /nfs/dbraw/zinc/96/98/63/488969863.db2.gz FADVVTHEMUFDJX-HOTGVXAUSA-N 2 2 362.478 1.087 10 0 FCAELP C[NH+]1CCC(n2ccc(NC(=O)N3CC[C@@H]4OCC[N@@H+](C)[C@H]4C3)n2)CC1 ZINC000329106070 488969865 /nfs/dbraw/zinc/96/98/65/488969865.db2.gz FADVVTHEMUFDJX-HOTGVXAUSA-N 2 2 362.478 1.087 10 0 FCAELP C[NH+](C)CCN1C[C@@H](C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000074219776 488389363 /nfs/dbraw/zinc/38/93/63/488389363.db2.gz GDDCACHBKDAHNL-HNNXBMFYSA-N 2 2 359.474 0.577 10 0 FCAELP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000184061608 488394529 /nfs/dbraw/zinc/39/45/29/488394529.db2.gz NMONSDNSLKZAFI-KRWDZBQOSA-N 2 2 374.533 0.589 10 0 FCAELP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000184061608 488394534 /nfs/dbraw/zinc/39/45/34/488394534.db2.gz NMONSDNSLKZAFI-KRWDZBQOSA-N 2 2 374.533 0.589 10 0 FCAELP CC[C@H](O)C[NH+]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000184770765 488397436 /nfs/dbraw/zinc/39/74/36/488397436.db2.gz HUSNDFDHQKYYFM-ZACQAIPSSA-N 2 2 370.538 0.972 10 0 FCAELP O=C(NCCCC[NH+]1CCOCC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000079392232 488429760 /nfs/dbraw/zinc/42/97/60/488429760.db2.gz BMUAVMNVHGQOGI-QGZVFWFLSA-N 2 2 354.495 0.605 10 0 FCAELP CC[NH+]1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC000079798083 488431953 /nfs/dbraw/zinc/43/19/53/488431953.db2.gz WZSBGILBHJTKPK-IBGZPJMESA-N 2 2 360.502 0.814 10 0 FCAELP CN(C)c1[nH+]cc(CNC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)n1C ZINC000083738803 488449117 /nfs/dbraw/zinc/44/91/17/488449117.db2.gz IZIDCOQOYCRQPG-OAHLLOKOSA-N 2 2 364.494 0.882 10 0 FCAELP C[N@H+]1[C@@H]2CC[C@H]1CC(N1CCN(C(=O)NC[C@H]3C[NH+](C)CCO3)CC1)C2 ZINC000245961042 488468387 /nfs/dbraw/zinc/46/83/87/488468387.db2.gz XNEMVZDMKYPQAO-WFFDWFOESA-N 2 2 365.522 0.269 10 0 FCAELP C[N@@H+]1[C@@H]2CC[C@H]1CC(N1CCN(C(=O)NC[C@H]3C[NH+](C)CCO3)CC1)C2 ZINC000245961042 488468388 /nfs/dbraw/zinc/46/83/88/488468388.db2.gz XNEMVZDMKYPQAO-WFFDWFOESA-N 2 2 365.522 0.269 10 0 FCAELP C[NH+]1[C@@H]2CC[C@H]1CC(N1CCN(C(=O)NC[C@H]3C[N@H+](C)CCO3)CC1)C2 ZINC000245961042 488468391 /nfs/dbraw/zinc/46/83/91/488468391.db2.gz XNEMVZDMKYPQAO-WFFDWFOESA-N 2 2 365.522 0.269 10 0 FCAELP C[NH+]1[C@@H]2CC[C@H]1CC(N1CCN(C(=O)NC[C@H]3C[N@@H+](C)CCO3)CC1)C2 ZINC000245961042 488468393 /nfs/dbraw/zinc/46/83/93/488468393.db2.gz XNEMVZDMKYPQAO-WFFDWFOESA-N 2 2 365.522 0.269 10 0 FCAELP 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CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC000247007466 488479423 /nfs/dbraw/zinc/47/94/23/488479423.db2.gz LHQMUZZSZMALEO-IRXDYDNUSA-N 3 2 354.539 0.876 10 0 FCAELP CC[N@@H+]1CC[C@H](N(C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC000247007466 488479425 /nfs/dbraw/zinc/47/94/25/488479425.db2.gz LHQMUZZSZMALEO-IRXDYDNUSA-N 2 2 354.539 0.876 10 0 FCAELP CC[N@H+]1CC[C@H](N(C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC000247007466 488479427 /nfs/dbraw/zinc/47/94/27/488479427.db2.gz LHQMUZZSZMALEO-IRXDYDNUSA-N 2 2 354.539 0.876 10 0 FCAELP C[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000247631904 488489219 /nfs/dbraw/zinc/48/92/19/488489219.db2.gz NWPMEJFIQICZHD-DOTOQJQBSA-N 2 2 359.474 0.847 10 0 FCAELP C[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000247631904 488489221 /nfs/dbraw/zinc/48/92/21/488489221.db2.gz NWPMEJFIQICZHD-DOTOQJQBSA-N 2 2 359.474 0.847 10 0 FCAELP CC[NH+]1CCC(NC(=O)C[NH+]2CCN(c3nccc(OC)n3)CC2)CC1 ZINC000101546391 488494731 /nfs/dbraw/zinc/49/47/31/488494731.db2.gz JHCLTPYLOJREGI-UHFFFAOYSA-N 2 2 362.478 0.208 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C(=O)NC2CC2)C1 ZINC000249746530 488514242 /nfs/dbraw/zinc/51/42/42/488514242.db2.gz MWHBHVDRIYNJSB-IRXDYDNUSA-N 2 2 366.506 0.202 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C(=O)NC2CC2)C1 ZINC000249746530 488514245 /nfs/dbraw/zinc/51/42/45/488514245.db2.gz MWHBHVDRIYNJSB-IRXDYDNUSA-N 2 2 366.506 0.202 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)C1 ZINC000249746530 488514246 /nfs/dbraw/zinc/51/42/46/488514246.db2.gz MWHBHVDRIYNJSB-IRXDYDNUSA-N 2 2 366.506 0.202 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC[C@H]2C(=O)NC2CC2)C1 ZINC000249746530 488514249 /nfs/dbraw/zinc/51/42/49/488514249.db2.gz MWHBHVDRIYNJSB-IRXDYDNUSA-N 2 2 366.506 0.202 10 0 FCAELP COc1ccc(C[NH+]2CCN(C(=O)C3([NH3+])CCOCC3)CC2)cc1F ZINC000261777825 488535555 /nfs/dbraw/zinc/53/55/55/488535555.db2.gz HFTXWMCDKYQOJJ-UHFFFAOYSA-N 2 2 351.422 0.986 10 0 FCAELP CCOCC[N@@H+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)C[C@@H]1CC ZINC000117032239 488549956 /nfs/dbraw/zinc/54/99/56/488549956.db2.gz PRJXLKVDBNQPFO-IRXDYDNUSA-N 2 2 356.511 0.849 10 0 FCAELP CCOCC[N@H+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)C[C@@H]1CC ZINC000117032239 488549958 /nfs/dbraw/zinc/54/99/58/488549958.db2.gz PRJXLKVDBNQPFO-IRXDYDNUSA-N 2 2 356.511 0.849 10 0 FCAELP COc1ccc(-n2ccc(C[NH2+]C[C@H](O)CN3CC[NH+](C)CC3)n2)cc1 ZINC000562984226 491205263 /nfs/dbraw/zinc/20/52/63/491205263.db2.gz AXUXUQNHHBHVKX-SFHVURJKSA-N 2 2 359.474 0.579 10 0 FCAELP CCN1CC[NH+](CCCCNC(=O)N2CC[N@H+](CCOC)[C@H](C)C2)CC1 ZINC000117478753 488551622 /nfs/dbraw/zinc/55/16/22/488551622.db2.gz CVWCFUIGYGFEAV-GOSISDBHSA-N 2 2 369.554 0.766 10 0 FCAELP CCN1CC[NH+](CCCCNC(=O)N2CC[N@@H+](CCOC)[C@H](C)C2)CC1 ZINC000117478753 488551623 /nfs/dbraw/zinc/55/16/23/488551623.db2.gz CVWCFUIGYGFEAV-GOSISDBHSA-N 2 2 369.554 0.766 10 0 FCAELP CC[NH+]1CCN(CCCCNC(=O)N2CC[N@H+](CCOC)[C@H](C)C2)CC1 ZINC000117478753 488551625 /nfs/dbraw/zinc/55/16/25/488551625.db2.gz CVWCFUIGYGFEAV-GOSISDBHSA-N 2 2 369.554 0.766 10 0 FCAELP CC[NH+]1CCN(CCCCNC(=O)N2CC[N@@H+](CCOC)[C@H](C)C2)CC1 ZINC000117478753 488551627 /nfs/dbraw/zinc/55/16/27/488551627.db2.gz CVWCFUIGYGFEAV-GOSISDBHSA-N 2 2 369.554 0.766 10 0 FCAELP COCC[N@@H+]1CCN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000117474142 488551766 /nfs/dbraw/zinc/55/17/66/488551766.db2.gz BPXWIJOFDZHTNX-ZACQAIPSSA-N 2 2 356.511 0.848 10 0 FCAELP COCC[N@H+]1CCN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000117474142 488551768 /nfs/dbraw/zinc/55/17/68/488551768.db2.gz BPXWIJOFDZHTNX-ZACQAIPSSA-N 2 2 356.511 0.848 10 0 FCAELP COCC[NH+]1CCN(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000117474142 488551771 /nfs/dbraw/zinc/55/17/71/488551771.db2.gz BPXWIJOFDZHTNX-ZACQAIPSSA-N 2 2 356.511 0.848 10 0 FCAELP COCC[NH+]1CCN(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000117474142 488551772 /nfs/dbraw/zinc/55/17/72/488551772.db2.gz BPXWIJOFDZHTNX-ZACQAIPSSA-N 2 2 356.511 0.848 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)CCCn2cc[nH+]c2)C1 ZINC000124216810 488590691 /nfs/dbraw/zinc/59/06/91/488590691.db2.gz XFEBZLHNFAJJNF-QGZVFWFLSA-N 3 2 351.495 0.678 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)CCCn2cc[nH+]c2)C1 ZINC000124216810 488590692 /nfs/dbraw/zinc/59/06/92/488590692.db2.gz XFEBZLHNFAJJNF-QGZVFWFLSA-N 3 2 351.495 0.678 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)CCCn2cc[nH+]c2)C1 ZINC000124216810 488590693 /nfs/dbraw/zinc/59/06/93/488590693.db2.gz XFEBZLHNFAJJNF-QGZVFWFLSA-N 3 2 351.495 0.678 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)CCCn2cc[nH+]c2)C1 ZINC000124216810 488590694 /nfs/dbraw/zinc/59/06/94/488590694.db2.gz XFEBZLHNFAJJNF-QGZVFWFLSA-N 3 2 351.495 0.678 10 0 FCAELP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)CC2)C1 ZINC000263302774 488609247 /nfs/dbraw/zinc/60/92/47/488609247.db2.gz XHFNFGRLGDTWSL-GJZGRUSLSA-N 2 2 360.449 0.237 10 0 FCAELP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)CC2)C1 ZINC000263302774 488609249 /nfs/dbraw/zinc/60/92/49/488609249.db2.gz XHFNFGRLGDTWSL-GJZGRUSLSA-N 2 2 360.449 0.237 10 0 FCAELP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000129552144 488632007 /nfs/dbraw/zinc/63/20/07/488632007.db2.gz GGZNANNNKGIFJJ-UHFFFAOYSA-N 2 2 360.458 0.872 10 0 FCAELP COC(=O)[C@@H](O)C1CC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000135388846 488672228 /nfs/dbraw/zinc/67/22/28/488672228.db2.gz WCSFIZNQXYEPOV-ROUUACIJSA-N 2 2 350.459 0.725 10 0 FCAELP COC(=O)[C@@H](O)C1CC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000135388846 488672231 /nfs/dbraw/zinc/67/22/31/488672231.db2.gz WCSFIZNQXYEPOV-ROUUACIJSA-N 2 2 350.459 0.725 10 0 FCAELP CC(=O)N[C@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C(C)C ZINC000154523552 488743860 /nfs/dbraw/zinc/74/38/60/488743860.db2.gz OVQJHYYMDPUYRT-WFFDWFOESA-N 2 2 350.507 0.917 10 0 FCAELP CC(=O)N[C@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C(C)C ZINC000154523552 488743863 /nfs/dbraw/zinc/74/38/63/488743863.db2.gz OVQJHYYMDPUYRT-WFFDWFOESA-N 2 2 350.507 0.917 10 0 FCAELP Cc1cc(N2CCN(C(=O)C[N@@H+]3CC[C@H](CO)C3)CC2)nc(C(C)C)[nH+]1 ZINC000157424637 488771249 /nfs/dbraw/zinc/77/12/49/488771249.db2.gz NGDAXLDUFSYELZ-INIZCTEOSA-N 2 2 361.490 0.871 10 0 FCAELP Cc1cc(N2CCN(C(=O)C[N@H+]3CC[C@H](CO)C3)CC2)nc(C(C)C)[nH+]1 ZINC000157424637 488771252 /nfs/dbraw/zinc/77/12/52/488771252.db2.gz NGDAXLDUFSYELZ-INIZCTEOSA-N 2 2 361.490 0.871 10 0 FCAELP COCC[NH+]1CCN(CCCN2CC[N@@H+](CCOC)[C@H](C)C2)C[C@H]1C ZINC000157948125 488774886 /nfs/dbraw/zinc/77/48/86/488774886.db2.gz ZMIBPLUDCBMXMT-RTBURBONSA-N 2 2 356.555 0.682 10 0 FCAELP COCC[NH+]1CCN(CCCN2CC[N@H+](CCOC)[C@H](C)C2)C[C@H]1C ZINC000157948125 488774888 /nfs/dbraw/zinc/77/48/88/488774888.db2.gz ZMIBPLUDCBMXMT-RTBURBONSA-N 2 2 356.555 0.682 10 0 FCAELP CC[C@@H]1CN(C(=O)NCC[NH+]2CCOCC2(C)C)CC[N@@H+]1CCOC ZINC000172335078 488833115 /nfs/dbraw/zinc/83/31/15/488833115.db2.gz VJRJECCFRZSQGW-MRXNPFEDSA-N 2 2 356.511 0.849 10 0 FCAELP CC[C@@H]1CN(C(=O)NCC[NH+]2CCOCC2(C)C)CC[N@H+]1CCOC ZINC000172335078 488833116 /nfs/dbraw/zinc/83/31/16/488833116.db2.gz VJRJECCFRZSQGW-MRXNPFEDSA-N 2 2 356.511 0.849 10 0 FCAELP CC[C@@H]1CN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC[NH+]1CCOC ZINC000172335078 488833117 /nfs/dbraw/zinc/83/31/17/488833117.db2.gz VJRJECCFRZSQGW-MRXNPFEDSA-N 2 2 356.511 0.849 10 0 FCAELP CC[C@@H]1CN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC[NH+]1CCOC ZINC000172335078 488833118 /nfs/dbraw/zinc/83/31/18/488833118.db2.gz VJRJECCFRZSQGW-MRXNPFEDSA-N 2 2 356.511 0.849 10 0 FCAELP C[NH+]1CCC(CNC(=O)CCN2C(=O)CCC2=O)([NH+]2CCCCC2)CC1 ZINC000172750967 488837497 /nfs/dbraw/zinc/83/74/97/488837497.db2.gz HCGFMDQDOTZPRR-UHFFFAOYSA-N 2 2 364.490 0.592 10 0 FCAELP C[NH+]1CCC(CNC(=O)c2ccc(C(N)=O)cn2)([NH+]2CCCCC2)CC1 ZINC000172751303 488837638 /nfs/dbraw/zinc/83/76/38/488837638.db2.gz PLUMHJGHBUARJH-UHFFFAOYSA-N 2 2 359.474 0.861 10 0 FCAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCCN3CCOCC3)CC2)C1 ZINC000173681587 488844539 /nfs/dbraw/zinc/84/45/39/488844539.db2.gz MHUCNORZICOKHN-LJQANCHMSA-N 2 2 354.539 0.436 10 0 FCAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCCN3CCOCC3)CC2)C1 ZINC000173681587 488844540 /nfs/dbraw/zinc/84/45/40/488844540.db2.gz MHUCNORZICOKHN-LJQANCHMSA-N 2 2 354.539 0.436 10 0 FCAELP C[C@H]1CN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000173846095 488845708 /nfs/dbraw/zinc/84/57/08/488845708.db2.gz GMAWXDDJNDCGGT-WMZOPIPTSA-N 2 2 373.501 0.626 10 0 FCAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)C(=O)NCCCOC)nc[nH+]1 ZINC000174287952 488848495 /nfs/dbraw/zinc/84/84/95/488848495.db2.gz PZJWBYCSLMTMJV-KGLIPLIRSA-N 2 2 350.467 0.618 10 0 FCAELP CCOC(=O)CN(C)C(=O)C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174886595 488852055 /nfs/dbraw/zinc/85/20/55/488852055.db2.gz WBOJBKARLIBHJD-INIZCTEOSA-N 2 2 354.495 0.110 10 0 FCAELP CCOC(=O)CN(C)C(=O)C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174886595 488852056 /nfs/dbraw/zinc/85/20/56/488852056.db2.gz WBOJBKARLIBHJD-INIZCTEOSA-N 2 2 354.495 0.110 10 0 FCAELP C[N@@H+]1CCO[C@H](CNC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000175413047 488854162 /nfs/dbraw/zinc/85/41/62/488854162.db2.gz MHJOOFVNZLHPDX-QGZVFWFLSA-N 2 2 368.522 0.899 10 0 FCAELP C[N@H+]1CCO[C@H](CNC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000175413047 488854163 /nfs/dbraw/zinc/85/41/63/488854163.db2.gz MHJOOFVNZLHPDX-QGZVFWFLSA-N 2 2 368.522 0.899 10 0 FCAELP C[NH+](C)C1CC[NH+](CCNC(=O)NCC(=O)NC2CCCCC2)CC1 ZINC000175694689 488854951 /nfs/dbraw/zinc/85/49/51/488854951.db2.gz UEJTURNUTGTGON-UHFFFAOYSA-N 2 2 353.511 0.761 10 0 FCAELP C[C@H]1CN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000175741481 488855220 /nfs/dbraw/zinc/85/52/20/488855220.db2.gz CSAQBHZNKZUGGA-HOTGVXAUSA-N 2 2 354.495 0.459 10 0 FCAELP C[C@H]1CN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000175741481 488855221 /nfs/dbraw/zinc/85/52/21/488855221.db2.gz CSAQBHZNKZUGGA-HOTGVXAUSA-N 2 2 354.495 0.459 10 0 FCAELP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175752009 488855368 /nfs/dbraw/zinc/85/53/68/488855368.db2.gz JZRVWDVFMVRHDB-QGZVFWFLSA-N 3 2 355.527 0.422 10 0 FCAELP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175752009 488855369 /nfs/dbraw/zinc/85/53/69/488855369.db2.gz JZRVWDVFMVRHDB-QGZVFWFLSA-N 3 2 355.527 0.422 10 0 FCAELP C[C@H]1CN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000175755613 488855544 /nfs/dbraw/zinc/85/55/44/488855544.db2.gz RMWQWKKBAPUCAS-JKSUJKDBSA-N 2 2 354.495 0.459 10 0 FCAELP C[C@H]1CN(C(=O)NCC[N@H+]2CCOCC2(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000175755613 488855545 /nfs/dbraw/zinc/85/55/45/488855545.db2.gz RMWQWKKBAPUCAS-JKSUJKDBSA-N 2 2 354.495 0.459 10 0 FCAELP CNC(=O)CCN(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000176104420 488857365 /nfs/dbraw/zinc/85/73/65/488857365.db2.gz PHXIPENOYUVRAI-UHFFFAOYSA-N 2 2 353.511 0.714 10 0 FCAELP CC(C)OCC[NH+]1CCC(NC(=O)NC[C@H](C)[NH+]2CCOCC2)CC1 ZINC000176206801 488857698 /nfs/dbraw/zinc/85/76/98/488857698.db2.gz CVVREKLLANXTTB-INIZCTEOSA-N 2 2 356.511 0.896 10 0 FCAELP CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177121106 488859222 /nfs/dbraw/zinc/85/92/22/488859222.db2.gz SKEZZEHZCATGGZ-MRXNPFEDSA-N 2 2 374.551 0.333 10 0 FCAELP Cc1[nH+]ccn1CCCC[NH+]1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000179399287 488861300 /nfs/dbraw/zinc/86/13/00/488861300.db2.gz MFSBKFJWUQASGF-UHFFFAOYSA-N 2 2 371.507 0.166 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N[C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)CC2)cc[nH+]1 ZINC000288881835 489025302 /nfs/dbraw/zinc/02/53/02/489025302.db2.gz HRONKZUXXASKTP-UKRRQHHQSA-N 2 2 372.473 0.175 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N[C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)CC2)cc[nH+]1 ZINC000288881835 489025307 /nfs/dbraw/zinc/02/53/07/489025307.db2.gz HRONKZUXXASKTP-UKRRQHHQSA-N 2 2 372.473 0.175 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@H](C)CN2CCOCC2)C1 ZINC000365186296 489047173 /nfs/dbraw/zinc/04/71/73/489047173.db2.gz WRODEHSQADRGKV-QZTJIDSGSA-N 2 2 370.538 0.112 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@H](C)CN2CCOCC2)C1 ZINC000365186296 489047174 /nfs/dbraw/zinc/04/71/74/489047174.db2.gz WRODEHSQADRGKV-QZTJIDSGSA-N 2 2 370.538 0.112 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)[C@H](C)CN2CCOCC2)C1 ZINC000365186296 489047175 /nfs/dbraw/zinc/04/71/75/489047175.db2.gz WRODEHSQADRGKV-QZTJIDSGSA-N 2 2 370.538 0.112 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)[C@H](C)CN2CCOCC2)C1 ZINC000365186296 489047176 /nfs/dbraw/zinc/04/71/76/489047176.db2.gz WRODEHSQADRGKV-QZTJIDSGSA-N 2 2 370.538 0.112 10 0 FCAELP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000289455875 489068404 /nfs/dbraw/zinc/06/84/04/489068404.db2.gz XSRGRKUWEKOAGZ-OCCSQVGLSA-N 2 2 361.446 0.977 10 0 FCAELP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000289455875 489068407 /nfs/dbraw/zinc/06/84/07/489068407.db2.gz XSRGRKUWEKOAGZ-OCCSQVGLSA-N 2 2 361.446 0.977 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)ccc2[nH+]1 ZINC000282119954 489136006 /nfs/dbraw/zinc/13/60/06/489136006.db2.gz UEEQDPMZEQKULH-UHFFFAOYSA-N 2 2 372.473 0.723 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)ccc2[nH+]1 ZINC000282119954 489136007 /nfs/dbraw/zinc/13/60/07/489136007.db2.gz UEEQDPMZEQKULH-UHFFFAOYSA-N 2 2 372.473 0.723 10 0 FCAELP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000366085460 489142826 /nfs/dbraw/zinc/14/28/26/489142826.db2.gz IHGRKNSDSCEDAD-AWEZNQCLSA-N 2 2 362.478 0.463 10 0 FCAELP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000366085460 489142829 /nfs/dbraw/zinc/14/28/29/489142829.db2.gz IHGRKNSDSCEDAD-AWEZNQCLSA-N 2 2 362.478 0.463 10 0 FCAELP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000332762062 489226858 /nfs/dbraw/zinc/22/68/58/489226858.db2.gz VGWDZJQKTIQIDD-BRWVUGGUSA-N 2 2 353.511 0.127 10 0 FCAELP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000332762062 489226859 /nfs/dbraw/zinc/22/68/59/489226859.db2.gz VGWDZJQKTIQIDD-BRWVUGGUSA-N 2 2 353.511 0.127 10 0 FCAELP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]3OCC[NH+](C)[C@H]3C2)C[C@H](C)O1 ZINC000332796553 489232373 /nfs/dbraw/zinc/23/23/73/489232373.db2.gz UGEFKBMLUWPZRF-YVSFHVDLSA-N 2 2 368.522 0.989 10 0 FCAELP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H]3OCC[NH+](C)[C@H]3C2)C[C@H](C)O1 ZINC000332796553 489232375 /nfs/dbraw/zinc/23/23/75/489232375.db2.gz UGEFKBMLUWPZRF-YVSFHVDLSA-N 2 2 368.522 0.989 10 0 FCAELP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)C[C@H](C)O1 ZINC000332796553 489232376 /nfs/dbraw/zinc/23/23/76/489232376.db2.gz UGEFKBMLUWPZRF-YVSFHVDLSA-N 2 2 368.522 0.989 10 0 FCAELP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)C[C@H](C)O1 ZINC000332796553 489232378 /nfs/dbraw/zinc/23/23/78/489232378.db2.gz UGEFKBMLUWPZRF-YVSFHVDLSA-N 2 2 368.522 0.989 10 0 FCAELP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000283245470 489232412 /nfs/dbraw/zinc/23/24/12/489232412.db2.gz AZYXFKUKHUSWCS-QGZVFWFLSA-N 2 2 356.470 0.684 10 0 FCAELP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000283245470 489232415 /nfs/dbraw/zinc/23/24/15/489232415.db2.gz AZYXFKUKHUSWCS-QGZVFWFLSA-N 2 2 356.470 0.684 10 0 FCAELP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000283604920 489280722 /nfs/dbraw/zinc/28/07/22/489280722.db2.gz PPSABHWILZYYOO-KRWDZBQOSA-N 2 2 357.458 0.679 10 0 FCAELP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000369926490 489293508 /nfs/dbraw/zinc/29/35/08/489293508.db2.gz JDFTYNTVNGOCKP-QGZVFWFLSA-N 2 2 366.506 0.110 10 0 FCAELP CC[N@H+]1CCO[C@@H](C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000369926490 489293510 /nfs/dbraw/zinc/29/35/10/489293510.db2.gz JDFTYNTVNGOCKP-QGZVFWFLSA-N 2 2 366.506 0.110 10 0 FCAELP CC(=O)N1CSC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370821663 489407318 /nfs/dbraw/zinc/40/73/18/489407318.db2.gz VPANTAWHTVIRKM-HOTGVXAUSA-N 2 2 354.520 0.535 10 0 FCAELP CC(=O)N1CSC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370821663 489407320 /nfs/dbraw/zinc/40/73/20/489407320.db2.gz VPANTAWHTVIRKM-HOTGVXAUSA-N 2 2 354.520 0.535 10 0 FCAELP COC(=O)[C@H]1CSCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000414563407 489501722 /nfs/dbraw/zinc/50/17/22/489501722.db2.gz CNRBKGQAKFIKKV-OAHLLOKOSA-N 2 2 365.503 0.566 10 0 FCAELP COC(=O)[C@H]1CSCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000414563407 489501724 /nfs/dbraw/zinc/50/17/24/489501724.db2.gz CNRBKGQAKFIKKV-OAHLLOKOSA-N 2 2 365.503 0.566 10 0 FCAELP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000423238414 489506733 /nfs/dbraw/zinc/50/67/33/489506733.db2.gz AENIDYBFCZJXAS-HNNXBMFYSA-N 2 2 354.495 0.143 10 0 FCAELP C[NH2+]CC1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000423251953 489507272 /nfs/dbraw/zinc/50/72/72/489507272.db2.gz SPRARGPLLVBDSV-QGZVFWFLSA-N 2 2 366.506 0.158 10 0 FCAELP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)CC2)s1 ZINC000423253351 489507990 /nfs/dbraw/zinc/50/79/90/489507990.db2.gz VUOYYMIHLCWZSD-CZUORRHYSA-N 2 2 364.515 0.760 10 0 FCAELP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000451592509 489510805 /nfs/dbraw/zinc/51/08/05/489510805.db2.gz FXKQZWQIXZIOGN-CABCVRRESA-N 2 2 355.479 0.535 10 0 FCAELP COCCN(Cc1ccnn1C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000425944109 489550492 /nfs/dbraw/zinc/55/04/92/489550492.db2.gz LRYVCHAQYGNAPY-UHFFFAOYSA-N 2 2 366.510 0.604 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000426482294 489570367 /nfs/dbraw/zinc/57/03/67/489570367.db2.gz KJSYGCKXVZSEAO-OALUTQOASA-N 2 2 374.529 0.890 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000426482294 489570369 /nfs/dbraw/zinc/57/03/69/489570369.db2.gz KJSYGCKXVZSEAO-OALUTQOASA-N 2 2 374.529 0.890 10 0 FCAELP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000416297554 489579433 /nfs/dbraw/zinc/57/94/33/489579433.db2.gz PUARCGVJZXMXQA-ZWKOTPCHSA-N 2 2 374.529 0.961 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000416297554 489579436 /nfs/dbraw/zinc/57/94/36/489579436.db2.gz PUARCGVJZXMXQA-ZWKOTPCHSA-N 2 2 374.529 0.961 10 0 FCAELP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000416297554 489579438 /nfs/dbraw/zinc/57/94/38/489579438.db2.gz PUARCGVJZXMXQA-ZWKOTPCHSA-N 2 2 374.529 0.961 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000416297554 489579441 /nfs/dbraw/zinc/57/94/41/489579441.db2.gz PUARCGVJZXMXQA-ZWKOTPCHSA-N 2 2 374.529 0.961 10 0 FCAELP COCC[NH2+]C1CC[NH+](CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000563726038 491265839 /nfs/dbraw/zinc/26/58/39/491265839.db2.gz XMROMNJSFJINIP-UHFFFAOYSA-N 2 2 357.476 0.413 10 0 FCAELP CCC([NH3+])(CC)CNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000417697106 489661524 /nfs/dbraw/zinc/66/15/24/489661524.db2.gz CHAUWTCFWCCKLC-UHFFFAOYSA-N 2 2 353.511 0.747 10 0 FCAELP [NH3+]C1(CNC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)CCCCCC1 ZINC000418290030 489688391 /nfs/dbraw/zinc/68/83/91/489688391.db2.gz ZHPOUOGJSMVHOS-UHFFFAOYSA-N 2 2 365.522 0.988 10 0 FCAELP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H](c4ccnc(N)n4)C3)cn2)CC1 ZINC000375076283 489710478 /nfs/dbraw/zinc/71/04/78/489710478.db2.gz YDLIGPONSGCGRJ-INIZCTEOSA-N 2 2 368.489 0.980 10 0 FCAELP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H](c4ccnc(N)n4)C3)cn2)CC1 ZINC000375076283 489710485 /nfs/dbraw/zinc/71/04/85/489710485.db2.gz YDLIGPONSGCGRJ-INIZCTEOSA-N 2 2 368.489 0.980 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N[C@H](C[NH3+])C2CCCC2)C1=O ZINC000563875057 491274308 /nfs/dbraw/zinc/27/43/08/491274308.db2.gz IKSAETMRHSEHME-LSDHHAIUSA-N 2 2 362.478 0.728 10 0 FCAELP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000418826289 489741577 /nfs/dbraw/zinc/74/15/77/489741577.db2.gz CJBXKWHEUBOPFW-AWEZNQCLSA-N 2 2 362.474 0.550 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@](O)(CO)C2)CC1 ZINC000459652760 489744814 /nfs/dbraw/zinc/74/48/14/489744814.db2.gz WYDBHKHXNZZVOS-FXAWDEMLSA-N 2 2 361.486 0.711 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@](O)(CO)C2)CC1 ZINC000459652760 489744818 /nfs/dbraw/zinc/74/48/18/489744818.db2.gz WYDBHKHXNZZVOS-FXAWDEMLSA-N 2 2 361.486 0.711 10 0 FCAELP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@](O)(CO)C2)CC1 ZINC000459645697 489745705 /nfs/dbraw/zinc/74/57/05/489745705.db2.gz LYLPNJMOJUEYKM-FQEVSTJZSA-N 2 2 361.486 0.458 10 0 FCAELP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@](O)(CO)C2)CC1 ZINC000459645697 489745708 /nfs/dbraw/zinc/74/57/08/489745708.db2.gz LYLPNJMOJUEYKM-FQEVSTJZSA-N 2 2 361.486 0.458 10 0 FCAELP COc1ccc([C@H](NC(=O)C(=O)N(C)CC[NH+](C)C)c2[nH+]ccn2C)cc1 ZINC000555840619 491276592 /nfs/dbraw/zinc/27/65/92/491276592.db2.gz QQPCODDPCBRXJF-INIZCTEOSA-N 2 2 373.457 0.654 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@H](CO)c3cccnc3)C2)CC1 ZINC000376704643 489780463 /nfs/dbraw/zinc/78/04/63/489780463.db2.gz BKWDVUWSZOYKKL-DLBZAZTESA-N 2 2 361.490 0.625 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@@H](CO)c3cccnc3)C2)CC1 ZINC000376704643 489780467 /nfs/dbraw/zinc/78/04/67/489780467.db2.gz BKWDVUWSZOYKKL-DLBZAZTESA-N 2 2 361.490 0.625 10 0 FCAELP C[NH2+]CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418904151 489783994 /nfs/dbraw/zinc/78/39/94/489783994.db2.gz IVDDKADNEDQANT-HUUCEWRRSA-N 2 2 354.401 0.552 10 0 FCAELP C[NH2+]CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418904151 489783999 /nfs/dbraw/zinc/78/39/99/489783999.db2.gz IVDDKADNEDQANT-HUUCEWRRSA-N 2 2 354.401 0.552 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@H]1c1ccc(Cl)cc1 ZINC000418906122 489784552 /nfs/dbraw/zinc/78/45/52/489784552.db2.gz KOBZIUYNXRMWNM-SOUVJXGZSA-N 2 2 350.850 0.761 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@H]1c1ccc(Cl)cc1 ZINC000418906122 489784555 /nfs/dbraw/zinc/78/45/55/489784555.db2.gz KOBZIUYNXRMWNM-SOUVJXGZSA-N 2 2 350.850 0.761 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[NH2+]CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418907221 489785098 /nfs/dbraw/zinc/78/50/98/489785098.db2.gz LULZPEPWWHFSJX-HOTGVXAUSA-N 2 2 366.412 0.648 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[NH2+]CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418907221 489785102 /nfs/dbraw/zinc/78/51/02/489785102.db2.gz LULZPEPWWHFSJX-HOTGVXAUSA-N 2 2 366.412 0.648 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C[C@H](C)[NH2+]1 ZINC000418909452 489787003 /nfs/dbraw/zinc/78/70/03/489787003.db2.gz JAFGYGJSZBWFTG-HOTGVXAUSA-N 2 2 374.485 0.344 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000418912899 489787313 /nfs/dbraw/zinc/78/73/13/489787313.db2.gz RXGZXCUGIWTZDA-XZJROXQQSA-N 2 2 366.412 0.647 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000418912899 489787315 /nfs/dbraw/zinc/78/73/15/489787315.db2.gz RXGZXCUGIWTZDA-XZJROXQQSA-N 2 2 366.412 0.647 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418916739 489789761 /nfs/dbraw/zinc/78/97/61/489789761.db2.gz XHMXCMYTRHMNID-DFBGVHRSSA-N 2 2 352.385 0.386 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418916739 489789765 /nfs/dbraw/zinc/78/97/65/489789765.db2.gz XHMXCMYTRHMNID-DFBGVHRSSA-N 2 2 352.385 0.386 10 0 FCAELP C[C@@H]1C[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000490987840 489791666 /nfs/dbraw/zinc/79/16/66/489791666.db2.gz NITDQDVEIJCFCL-KZNAEPCWSA-N 2 2 372.579 0.616 10 0 FCAELP C[C@@H]1C[N@@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000490987840 489791668 /nfs/dbraw/zinc/79/16/68/489791668.db2.gz NITDQDVEIJCFCL-KZNAEPCWSA-N 2 2 372.579 0.616 10 0 FCAELP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418940911 489797577 /nfs/dbraw/zinc/79/75/77/489797577.db2.gz JUYBUBTVERASCF-OCCSQVGLSA-N 2 2 350.488 0.337 10 0 FCAELP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418940911 489797580 /nfs/dbraw/zinc/79/75/80/489797580.db2.gz JUYBUBTVERASCF-OCCSQVGLSA-N 2 2 350.488 0.337 10 0 FCAELP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419022224 489821606 /nfs/dbraw/zinc/82/16/06/489821606.db2.gz HXXMJPKMKWBHBG-AWEZNQCLSA-N 2 2 359.405 0.886 10 0 FCAELP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419028868 489824330 /nfs/dbraw/zinc/82/43/30/489824330.db2.gz QSLBTOXKJLJDFK-GASCZTMLSA-N 2 2 371.416 0.981 10 0 FCAELP COCCO[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000376969553 489827285 /nfs/dbraw/zinc/82/72/85/489827285.db2.gz WLANOWBQPXQILG-SJORKVTESA-N 2 2 357.495 0.197 10 0 FCAELP COCCO[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000376969553 489827289 /nfs/dbraw/zinc/82/72/89/489827289.db2.gz WLANOWBQPXQILG-SJORKVTESA-N 2 2 357.495 0.197 10 0 FCAELP COCCO[C@@H]1CC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000376969553 489827294 /nfs/dbraw/zinc/82/72/94/489827294.db2.gz WLANOWBQPXQILG-SJORKVTESA-N 2 2 357.495 0.197 10 0 FCAELP COCCO[C@@H]1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000376969553 489827297 /nfs/dbraw/zinc/82/72/97/489827297.db2.gz WLANOWBQPXQILG-SJORKVTESA-N 2 2 357.495 0.197 10 0 FCAELP CSCCCNC(=O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000555934602 491284421 /nfs/dbraw/zinc/28/44/21/491284421.db2.gz GYSXVLMJKJSBLZ-UHFFFAOYSA-N 2 2 370.563 0.922 10 0 FCAELP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)CNC(=O)C[NH3+] ZINC000571093231 491285753 /nfs/dbraw/zinc/28/57/53/491285753.db2.gz IVMKZBDQBYCQNR-YOEHRIQHSA-N 2 2 361.490 0.524 10 0 FCAELP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CNC(=O)C[NH3+] ZINC000571093231 491285755 /nfs/dbraw/zinc/28/57/55/491285755.db2.gz IVMKZBDQBYCQNR-YOEHRIQHSA-N 2 2 361.490 0.524 10 0 FCAELP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377466257 489908346 /nfs/dbraw/zinc/90/83/46/489908346.db2.gz XFOGZIZMFHRTSW-SJORKVTESA-N 2 2 366.506 0.158 10 0 FCAELP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377466257 489908348 /nfs/dbraw/zinc/90/83/48/489908348.db2.gz XFOGZIZMFHRTSW-SJORKVTESA-N 2 2 366.506 0.158 10 0 FCAELP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000420099650 489911042 /nfs/dbraw/zinc/91/10/42/489911042.db2.gz BNJATOSNMWTQJQ-RYRKJORJSA-N 2 2 358.486 0.834 10 0 FCAELP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000420099650 489911045 /nfs/dbraw/zinc/91/10/45/489911045.db2.gz BNJATOSNMWTQJQ-RYRKJORJSA-N 2 2 358.486 0.834 10 0 FCAELP C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000420110927 489915731 /nfs/dbraw/zinc/91/57/31/489915731.db2.gz ZVZLOLHKTFRADC-DZGCQCFKSA-N 2 2 350.488 0.507 10 0 FCAELP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000420144693 489929195 /nfs/dbraw/zinc/92/91/95/489929195.db2.gz NRKUDMSNIVSSOO-DZGCQCFKSA-N 2 2 350.488 0.507 10 0 FCAELP CC[NH+]1CCN(CC(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000461970132 489947734 /nfs/dbraw/zinc/94/77/34/489947734.db2.gz JZCSOVVYOXXSRV-OKZBNKHCSA-N 2 2 352.523 0.724 10 0 FCAELP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420351635 489966726 /nfs/dbraw/zinc/96/67/26/489966726.db2.gz AATVCTYZJYHKJG-DYVFJYSZSA-N 2 2 366.487 0.737 10 0 FCAELP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420351635 489966729 /nfs/dbraw/zinc/96/67/29/489966729.db2.gz AATVCTYZJYHKJG-DYVFJYSZSA-N 2 2 366.487 0.737 10 0 FCAELP CC(C)N(CCCNC(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)S(C)(=O)=O ZINC000420367954 489968687 /nfs/dbraw/zinc/96/86/87/489968687.db2.gz KCIRZNQELDFCIK-QGZVFWFLSA-N 2 2 374.551 0.238 10 0 FCAELP CC(C)N(CCCNC(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)S(C)(=O)=O ZINC000420367954 489968690 /nfs/dbraw/zinc/96/86/90/489968690.db2.gz KCIRZNQELDFCIK-QGZVFWFLSA-N 2 2 374.551 0.238 10 0 FCAELP CNC(=O)[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000420968723 490036240 /nfs/dbraw/zinc/03/62/40/490036240.db2.gz CPLOPEMZQBWGHT-GOSISDBHSA-N 2 2 358.486 0.707 10 0 FCAELP CNC(=O)[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000420968723 490036243 /nfs/dbraw/zinc/03/62/43/490036243.db2.gz CPLOPEMZQBWGHT-GOSISDBHSA-N 2 2 358.486 0.707 10 0 FCAELP CC(=O)N1CC[NH+](CCOCC[N@H+]2CCN(C(C)=O)C[C@@H]2C)[C@@H](C)C1 ZINC000532647382 490088705 /nfs/dbraw/zinc/08/87/05/490088705.db2.gz METAOJVEBLXOCO-HOTGVXAUSA-N 2 2 354.495 0.108 10 0 FCAELP CC(=O)N1CC[NH+](CCOCC[N@@H+]2CCN(C(C)=O)C[C@@H]2C)[C@@H](C)C1 ZINC000532647382 490088709 /nfs/dbraw/zinc/08/87/09/490088709.db2.gz METAOJVEBLXOCO-HOTGVXAUSA-N 2 2 354.495 0.108 10 0 FCAELP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000421658554 490095665 /nfs/dbraw/zinc/09/56/65/490095665.db2.gz XAKOIYDEGHNUSP-HZPDHXFCSA-N 2 2 363.506 0.953 10 0 FCAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000389906236 490135741 /nfs/dbraw/zinc/13/57/41/490135741.db2.gz HCYUDVHIRJREAF-FVQBIDKESA-N 2 2 353.488 0.385 10 0 FCAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000389906236 490135749 /nfs/dbraw/zinc/13/57/49/490135749.db2.gz HCYUDVHIRJREAF-FVQBIDKESA-N 2 2 353.488 0.385 10 0 FCAELP CC(C)Cn1cc[nH+]c1CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465954131 490158792 /nfs/dbraw/zinc/15/87/92/490158792.db2.gz UDRZGUMEAHPISC-OAHLLOKOSA-N 2 2 364.494 0.926 10 0 FCAELP CC(C)Cn1cc[nH+]c1CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465954131 490158797 /nfs/dbraw/zinc/15/87/97/490158797.db2.gz UDRZGUMEAHPISC-OAHLLOKOSA-N 2 2 364.494 0.926 10 0 FCAELP COCCC[N@H+](C)CCNC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000466080754 490164059 /nfs/dbraw/zinc/16/40/59/490164059.db2.gz ZDOCBABGRJXSQZ-UHFFFAOYSA-N 2 2 352.483 0.216 10 0 FCAELP COCCC[N@@H+](C)CCNC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000466080754 490164066 /nfs/dbraw/zinc/16/40/66/490164066.db2.gz ZDOCBABGRJXSQZ-UHFFFAOYSA-N 2 2 352.483 0.216 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c1 ZINC000422126391 490177518 /nfs/dbraw/zinc/17/75/18/490177518.db2.gz BJRUMWADTWUAHO-KRWDZBQOSA-N 2 2 357.458 0.368 10 0 FCAELP C[NH+](C)CCN1C(=O)C[C@H]([NH+]2CCN(c3ccc(Cl)cn3)CC2)C1=O ZINC000520739310 490184078 /nfs/dbraw/zinc/18/40/78/490184078.db2.gz IVNBVXSHCLSRAY-AWEZNQCLSA-N 2 2 365.865 0.546 10 0 FCAELP C[C@H](NC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1)C1=CC[N@@H+](C)CC1 ZINC000556253406 491306080 /nfs/dbraw/zinc/30/60/80/491306080.db2.gz PDWGWQHWLNPFCT-HNNXBMFYSA-N 2 2 371.485 0.933 10 0 FCAELP COCC[NH2+]C1CCN(C(=O)C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000571455035 491309290 /nfs/dbraw/zinc/30/92/90/491309290.db2.gz BKSRVGDRSZACAC-UHFFFAOYSA-N 2 2 363.462 0.227 10 0 FCAELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000422347247 490271847 /nfs/dbraw/zinc/27/18/47/490271847.db2.gz DCAHEGNSYZTIDY-MAUKXSAKSA-N 2 2 369.469 0.716 10 0 FCAELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000422347247 490271851 /nfs/dbraw/zinc/27/18/51/490271851.db2.gz DCAHEGNSYZTIDY-MAUKXSAKSA-N 2 2 369.469 0.716 10 0 FCAELP C[NH+](C)CC(=O)NCc1ccccc1N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000483146874 490286954 /nfs/dbraw/zinc/28/69/54/490286954.db2.gz IMNZWFYJWXXFGU-UHFFFAOYSA-N 2 2 361.490 0.075 10 0 FCAELP C[C@H]1OCC[C@@H]1[N@H+](CCO)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000483300056 490304378 /nfs/dbraw/zinc/30/43/78/490304378.db2.gz XLIQAUHXGWSZPN-SJORKVTESA-N 2 2 362.474 0.592 10 0 FCAELP C[C@H]1OCC[C@@H]1[N@@H+](CCO)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000483300056 490304388 /nfs/dbraw/zinc/30/43/88/490304388.db2.gz XLIQAUHXGWSZPN-SJORKVTESA-N 2 2 362.474 0.592 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000422477569 490347017 /nfs/dbraw/zinc/34/70/17/490347017.db2.gz NIMDNHLWSAGASE-UHFFFAOYSA-N 2 2 361.490 0.803 10 0 FCAELP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)NCCc2cn(C)c[nH+]2)CC1 ZINC000422481546 490349849 /nfs/dbraw/zinc/34/98/49/490349849.db2.gz WUZORTSDLBKKPA-UHFFFAOYSA-N 2 2 369.469 0.732 10 0 FCAELP CC[NH+]1CCN(CC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000508706733 490350748 /nfs/dbraw/zinc/35/07/48/490350748.db2.gz NLIAJWHOSGSEQX-UHFFFAOYSA-N 2 2 360.502 0.773 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000422495681 490358233 /nfs/dbraw/zinc/35/82/33/490358233.db2.gz SSCNENPBDOLOGM-KRWDZBQOSA-N 2 2 373.501 0.887 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000422495681 490358244 /nfs/dbraw/zinc/35/82/44/490358244.db2.gz SSCNENPBDOLOGM-KRWDZBQOSA-N 2 2 373.501 0.887 10 0 FCAELP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000508803578 490362516 /nfs/dbraw/zinc/36/25/16/490362516.db2.gz PGZCOPWKWRPQJB-UHFFFAOYSA-N 2 2 353.492 0.320 10 0 FCAELP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@H]([C@H](O)C(F)(F)F)C3)cn2)CC1 ZINC000449672341 490419913 /nfs/dbraw/zinc/41/99/13/490419913.db2.gz MMALEENJZJHASZ-KBPBESRZSA-N 2 2 359.396 0.974 10 0 FCAELP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H]([C@H](O)C(F)(F)F)C3)cn2)CC1 ZINC000449672341 490419920 /nfs/dbraw/zinc/41/99/20/490419920.db2.gz MMALEENJZJHASZ-KBPBESRZSA-N 2 2 359.396 0.974 10 0 FCAELP O=C(C[N@H+]1C[C@@H](O)C2(CC2)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000548298522 490458044 /nfs/dbraw/zinc/45/80/44/490458044.db2.gz SMYWNOQAMKVICS-GOSISDBHSA-N 2 2 359.470 0.592 10 0 FCAELP O=C(C[N@@H+]1C[C@@H](O)C2(CC2)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000548298522 490458050 /nfs/dbraw/zinc/45/80/50/490458050.db2.gz SMYWNOQAMKVICS-GOSISDBHSA-N 2 2 359.470 0.592 10 0 FCAELP O=S(=O)(NCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1cccc(Cl)c1 ZINC000422759640 490472884 /nfs/dbraw/zinc/47/28/84/490472884.db2.gz LCZWSSAQLNHGSS-HOTGVXAUSA-N 2 2 373.906 0.975 10 0 FCAELP 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490633542 /nfs/dbraw/zinc/63/35/42/490633542.db2.gz LVXWSKHIBBVYEC-OAHLLOKOSA-N 2 2 373.461 0.806 10 0 FCAELP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)[C@@H](C)C1 ZINC000526012641 490665122 /nfs/dbraw/zinc/66/51/22/490665122.db2.gz HVYNVVQZGNPYIJ-JKSUJKDBSA-N 2 2 361.490 0.361 10 0 FCAELP C[C@@H](O)C[N@H+]1CCN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)[C@@H](C)C1 ZINC000526012641 490665126 /nfs/dbraw/zinc/66/51/26/490665126.db2.gz HVYNVVQZGNPYIJ-JKSUJKDBSA-N 2 2 361.490 0.361 10 0 FCAELP Cn1ccnc1C[NH+]1CCC(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)CC1 ZINC000512350687 490676683 /nfs/dbraw/zinc/67/66/83/490676683.db2.gz SYNGEHILIDTRRV-QGZVFWFLSA-N 2 2 363.506 0.595 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)NCC[N@H+]2CC=CCC2)C1=O ZINC000526980256 490690183 /nfs/dbraw/zinc/69/01/83/490690183.db2.gz NDPZEROGDJINGB-HNNXBMFYSA-N 2 2 360.462 0.472 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)NCC[N@@H+]2CC=CCC2)C1=O ZINC000526980256 490690186 /nfs/dbraw/zinc/69/01/86/490690186.db2.gz NDPZEROGDJINGB-HNNXBMFYSA-N 2 2 360.462 0.472 10 0 FCAELP COc1cc2c(cc1OC)C[N@H+](CC(=O)NC[C@](C)(O)C[NH+](C)C)CC2 ZINC000502889895 490727512 /nfs/dbraw/zinc/72/75/12/490727512.db2.gz ZWVRYQOYNOMPNL-IBGZPJMESA-N 2 2 365.474 0.491 10 0 FCAELP COc1cc2c(cc1OC)C[N@@H+](CC(=O)NC[C@](C)(O)C[NH+](C)C)CC2 ZINC000502889895 490727513 /nfs/dbraw/zinc/72/75/13/490727513.db2.gz ZWVRYQOYNOMPNL-IBGZPJMESA-N 2 2 365.474 0.491 10 0 FCAELP [NH3+]C1CCC(OCC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000514724393 490784818 /nfs/dbraw/zinc/78/48/18/490784818.db2.gz DLTVOFUYSOPCPD-VMBOVVBDSA-N 2 2 357.520 0.597 10 0 FCAELP CC1(C)C[NH+](CC(=O)NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)C1 ZINC000515179926 490812509 /nfs/dbraw/zinc/81/25/09/490812509.db2.gz ROMUURMTFPOSOA-UHFFFAOYSA-N 2 2 359.474 0.741 10 0 FCAELP O=C(CN1CC[NH2+]C[C@@H]1C(F)F)N1CC[NH+](Cc2ccsc2)CC1 ZINC000515352709 490821233 /nfs/dbraw/zinc/82/12/33/490821233.db2.gz MFHPWEDXWUTYTQ-CQSZACIVSA-N 2 2 358.458 0.931 10 0 FCAELP C[C@@H]1CN(c2ccc(CNC(=O)NC[C@H]3COCC[NH2+]3)c[nH+]2)C[C@H](C)O1 ZINC000529286597 490847292 /nfs/dbraw/zinc/84/72/92/490847292.db2.gz MMVHOVFZDPRLIB-LZWOXQAQSA-N 2 2 363.462 0.483 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2COCC[NH2+]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000529322750 490851977 /nfs/dbraw/zinc/85/19/77/490851977.db2.gz RAPSNHKKWVJTDB-RCBQFDQVSA-N 2 2 354.401 0.998 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)NC[C@H]2COCC[NH2+]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000529322750 490851980 /nfs/dbraw/zinc/85/19/80/490851980.db2.gz RAPSNHKKWVJTDB-RCBQFDQVSA-N 2 2 354.401 0.998 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)NC2CC[NH+](C3CC3)CC2)C1=O ZINC000541180665 490854166 /nfs/dbraw/zinc/85/41/66/490854166.db2.gz DRJZUSFYIQMVES-MRXNPFEDSA-N 2 2 374.489 0.837 10 0 FCAELP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)Cn1c[nH+]cc1C ZINC000529519930 490861881 /nfs/dbraw/zinc/86/18/81/490861881.db2.gz WOZJIELTXFPSII-IYBDPMFKSA-N 2 2 358.446 0.940 10 0 FCAELP O=C(c1ccc(C[NH+]2CCOCC2)cn1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000565190281 491359208 /nfs/dbraw/zinc/35/92/08/491359208.db2.gz LEDJAWMPEWPLPN-UHFFFAOYSA-N 2 2 356.430 0.599 10 0 FCAELP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000517354869 490905188 /nfs/dbraw/zinc/90/51/88/490905188.db2.gz GEHZQGOQGZHBDZ-IBGZPJMESA-N 2 2 373.545 0.556 10 0 FCAELP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000517354869 490905189 /nfs/dbraw/zinc/90/51/89/490905189.db2.gz GEHZQGOQGZHBDZ-IBGZPJMESA-N 2 2 373.545 0.556 10 0 FCAELP CN(CCC[NH+](C)C)C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000542760532 490907600 /nfs/dbraw/zinc/90/76/00/490907600.db2.gz FWSHHQWZAUVBLZ-AWEZNQCLSA-N 2 2 350.467 0.504 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H](CO)c2cccc(F)c2)C1 ZINC000542884383 490913737 /nfs/dbraw/zinc/91/37/37/490913737.db2.gz XASRENXSWQFVBX-QZTJIDSGSA-N 2 2 367.465 0.922 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H](CO)c2cccc(F)c2)C1 ZINC000542884383 490913738 /nfs/dbraw/zinc/91/37/38/490913738.db2.gz 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CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000543056981 490920831 /nfs/dbraw/zinc/92/08/31/490920831.db2.gz BNQKIKIZKUERFQ-HUUCEWRRSA-N 2 2 362.478 0.695 10 0 FCAELP CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000543056981 490920833 /nfs/dbraw/zinc/92/08/33/490920833.db2.gz BNQKIKIZKUERFQ-HUUCEWRRSA-N 2 2 362.478 0.695 10 0 FCAELP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000518188103 490932743 /nfs/dbraw/zinc/93/27/43/490932743.db2.gz DZGQOOJFVJXYGH-QGZVFWFLSA-N 2 2 371.485 0.863 10 0 FCAELP C[NH+](C)C1CC[NH+](CCNc2nc3ccccc3c(NCCO)n2)CC1 ZINC000531142766 490943009 /nfs/dbraw/zinc/94/30/09/490943009.db2.gz MPDHZIOAJRKOLJ-UHFFFAOYSA-N 2 2 358.490 0.316 10 0 FCAELP CC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1cn(C)nn1 ZINC000543846769 490949571 /nfs/dbraw/zinc/94/95/71/490949571.db2.gz SNAKWWNICIACFB-UHFFFAOYSA-N 2 2 357.462 0.771 10 0 FCAELP CC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1cn(C)nn1 ZINC000543846769 490949572 /nfs/dbraw/zinc/94/95/72/490949572.db2.gz SNAKWWNICIACFB-UHFFFAOYSA-N 2 2 357.462 0.771 10 0 FCAELP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000543967904 490953331 /nfs/dbraw/zinc/95/33/31/490953331.db2.gz ZKBRSNLWENCNNS-VNQPRFMTSA-N 2 2 374.489 0.693 10 0 FCAELP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000543967904 490953332 /nfs/dbraw/zinc/95/33/32/490953332.db2.gz ZKBRSNLWENCNNS-VNQPRFMTSA-N 2 2 374.489 0.693 10 0 FCAELP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2nccn2CCc2ccccc2)CC1 ZINC000518964706 490956799 /nfs/dbraw/zinc/95/67/99/490956799.db2.gz CYRRFXGURCZNMB-LJQANCHMSA-N 2 2 357.502 0.824 10 0 FCAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000518979626 490957332 /nfs/dbraw/zinc/95/73/32/490957332.db2.gz PIGMXBSBGYNEAC-GJZGRUSLSA-N 2 2 352.431 0.591 10 0 FCAELP OCC[N@H+]1CCCC[C@H]1C[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000518979626 490957335 /nfs/dbraw/zinc/95/73/35/490957335.db2.gz PIGMXBSBGYNEAC-GJZGRUSLSA-N 2 2 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ZINC000572684306 491386629 /nfs/dbraw/zinc/38/66/29/491386629.db2.gz PZTCIOOGFCNAGP-UHFFFAOYSA-N 2 2 358.446 0.369 10 0 FCAELP C[C@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)CCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000557636852 491388444 /nfs/dbraw/zinc/38/84/44/491388444.db2.gz ZQCLMXGRQBLITE-HNNXBMFYSA-N 2 2 350.507 0.729 10 0 FCAELP C[C@H]([C@H](C)NC(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000573491520 491436683 /nfs/dbraw/zinc/43/66/83/491436683.db2.gz YXUYZRXIDLZDCE-HDMKZQKVSA-N 2 2 374.485 0.297 10 0 FCAELP Cn1cc[nH+]c1CN1CCN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000566732360 491463323 /nfs/dbraw/zinc/46/33/23/491463323.db2.gz GBEVQIHVUGLKQW-FQEVSTJZSA-N 2 2 353.470 0.996 10 0 FCAELP Fc1cc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cnc1N1CCOCC1 ZINC000574392368 491493204 /nfs/dbraw/zinc/49/32/04/491493204.db2.gz RZMQCUBOKSBHGI-IRXDYDNUSA-N 2 2 350.438 0.914 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000559770225 491498231 /nfs/dbraw/zinc/49/82/31/491498231.db2.gz RNWMBMZGGFCJKR-HOTGVXAUSA-N 2 2 359.474 0.707 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000559770225 491498235 /nfs/dbraw/zinc/49/82/35/491498235.db2.gz RNWMBMZGGFCJKR-HOTGVXAUSA-N 2 2 359.474 0.707 10 0 FCAELP CC(C)[NH2+]CCCNC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000574505334 491501211 /nfs/dbraw/zinc/50/12/11/491501211.db2.gz SKKNOMRPEVGVEE-MRXNPFEDSA-N 2 2 354.495 0.204 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000559867913 491506992 /nfs/dbraw/zinc/50/69/92/491506992.db2.gz SJRBFGHHGXRKGQ-KRWDZBQOSA-N 2 2 365.503 0.317 10 0 FCAELP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000567463739 491507498 /nfs/dbraw/zinc/50/74/98/491507498.db2.gz DQFQLHOKPODQFT-IXDOHACOSA-N 2 2 354.495 0.338 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000567463739 491507500 /nfs/dbraw/zinc/50/75/00/491507500.db2.gz DQFQLHOKPODQFT-IXDOHACOSA-N 2 2 354.495 0.338 10 0 FCAELP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[N@@H+]1C1CC1 ZINC000559903943 491509013 /nfs/dbraw/zinc/50/90/13/491509013.db2.gz RWCPHOPWVPXZPM-ZBFHGGJFSA-N 2 2 371.485 0.908 10 0 FCAELP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[N@H+]1C1CC1 ZINC000559903943 491509015 /nfs/dbraw/zinc/50/90/15/491509015.db2.gz RWCPHOPWVPXZPM-ZBFHGGJFSA-N 2 2 371.485 0.908 10 0 FCAELP CC(C)[NH+]1CCN(C(=O)N[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CC1 ZINC000567509759 491510741 /nfs/dbraw/zinc/51/07/41/491510741.db2.gz GVCDZFLFOIDHEJ-HNNXBMFYSA-N 2 2 362.478 0.647 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000574748791 491517629 /nfs/dbraw/zinc/51/76/29/491517629.db2.gz BDVWZICWGBAVBY-IBGZPJMESA-N 2 2 357.458 0.251 10 0 FCAELP CC(C)[C@H](CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C)[NH+]1CCN(C)CC1 ZINC000560056574 491518126 /nfs/dbraw/zinc/51/81/26/491518126.db2.gz WPRQWMKIAYOHMN-MIALQEHNSA-N 2 2 366.550 0.907 10 0 FCAELP 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369.506 0.829 10 0 FCAELP COC(=O)C1CCN(C(=O)[C@@H](C)[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000595905364 491960485 /nfs/dbraw/zinc/96/04/85/491960485.db2.gz CNWDUHNRTHFBSR-NVXWUHKLSA-N 2 2 369.506 0.829 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cn3cnc4ccccc4c3=O)C2)CC1 ZINC000602195223 491967094 /nfs/dbraw/zinc/96/70/94/491967094.db2.gz MKOPQWOUXDOROP-HNNXBMFYSA-N 2 2 369.469 0.681 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cn3cnc4ccccc4c3=O)C2)CC1 ZINC000602195223 491967097 /nfs/dbraw/zinc/96/70/97/491967097.db2.gz MKOPQWOUXDOROP-HNNXBMFYSA-N 2 2 369.469 0.681 10 0 FCAELP CC(C)(CNC(=O)C[N@@H+]1CCC[C@@H](c2ccncn2)C1)[NH+]1CCOCC1 ZINC000613510768 491983990 /nfs/dbraw/zinc/98/39/90/491983990.db2.gz YBIJFUYERLYRLT-MRXNPFEDSA-N 2 2 361.490 0.883 10 0 FCAELP CC(C)(CNC(=O)C[N@H+]1CCC[C@@H](c2ccncn2)C1)[NH+]1CCOCC1 ZINC000613510768 491983993 /nfs/dbraw/zinc/98/39/93/491983993.db2.gz YBIJFUYERLYRLT-MRXNPFEDSA-N 2 2 361.490 0.883 10 0 FCAELP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cccc(C[NH+]2CCOCC2)c1 ZINC000614508522 492035668 /nfs/dbraw/zinc/03/56/68/492035668.db2.gz WJROTWBERNOURS-LJQANCHMSA-N 2 2 358.486 0.639 10 0 FCAELP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1cccc(C[NH+]2CCOCC2)c1 ZINC000614508522 492035670 /nfs/dbraw/zinc/03/56/70/492035670.db2.gz WJROTWBERNOURS-LJQANCHMSA-N 2 2 358.486 0.639 10 0 FCAELP Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000597463633 492039593 /nfs/dbraw/zinc/03/95/93/492039593.db2.gz UHWZXBQYMCWRJZ-YOEHRIQHSA-N 2 2 370.457 0.919 10 0 FCAELP Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000597463633 492039595 /nfs/dbraw/zinc/03/95/95/492039595.db2.gz UHWZXBQYMCWRJZ-YOEHRIQHSA-N 2 2 370.457 0.919 10 0 FCAELP CC[NH+]1CCN(CC(=O)N(CC[NH+]2CCOCC2)[C@@H]2CCSC2)CC1 ZINC000615097779 492073771 /nfs/dbraw/zinc/07/37/71/492073771.db2.gz JYZBSSCBKBYSQW-QGZVFWFLSA-N 2 2 370.563 0.290 10 0 FCAELP CCn1nc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)ccc1=O ZINC000607876288 492151715 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C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000617766525 492190504 /nfs/dbraw/zinc/19/05/04/492190504.db2.gz NVRYHYOYAHHKDE-LJQANCHMSA-N 3 2 362.518 0.887 10 0 FCAELP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000617766525 492190506 /nfs/dbraw/zinc/19/05/06/492190506.db2.gz NVRYHYOYAHHKDE-LJQANCHMSA-N 3 2 362.518 0.887 10 0 FCAELP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000617766525 492190509 /nfs/dbraw/zinc/19/05/09/492190509.db2.gz NVRYHYOYAHHKDE-LJQANCHMSA-N 3 2 362.518 0.887 10 0 FCAELP CN(CCC[NH+](C)C)CCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000617766525 492190512 /nfs/dbraw/zinc/19/05/12/492190512.db2.gz NVRYHYOYAHHKDE-LJQANCHMSA-N 2 2 362.518 0.887 10 0 FCAELP CN(CCC[NH+](C)C)CCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000617766525 492190516 /nfs/dbraw/zinc/19/05/16/492190516.db2.gz NVRYHYOYAHHKDE-LJQANCHMSA-N 2 2 362.518 0.887 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000617768585 492190611 /nfs/dbraw/zinc/19/06/11/492190611.db2.gz KQHTVNOBFQGTHI-UHFFFAOYSA-N 2 2 374.485 0.949 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000617768585 492190613 /nfs/dbraw/zinc/19/06/13/492190613.db2.gz KQHTVNOBFQGTHI-UHFFFAOYSA-N 2 2 374.485 0.949 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000617768561 492190686 /nfs/dbraw/zinc/19/06/86/492190686.db2.gz JRJDSULDNLXMFT-UHFFFAOYSA-N 2 2 360.458 0.953 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000617768561 492190688 /nfs/dbraw/zinc/19/06/88/492190688.db2.gz JRJDSULDNLXMFT-UHFFFAOYSA-N 2 2 360.458 0.953 10 0 FCAELP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)cc1 ZINC000608776913 492192422 /nfs/dbraw/zinc/19/24/22/492192422.db2.gz ZRSUJJPVDBXYGZ-HNNXBMFYSA-N 2 2 361.446 0.336 10 0 FCAELP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000608776913 492192424 /nfs/dbraw/zinc/19/24/24/492192424.db2.gz ZRSUJJPVDBXYGZ-HNNXBMFYSA-N 2 2 361.446 0.336 10 0 FCAELP CN1CC[N@H+](C)C[C@@H]1CNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000600477166 492273558 /nfs/dbraw/zinc/27/35/58/492273558.db2.gz KKKMUXJDGMTKAC-IBGZPJMESA-N 2 2 359.518 0.166 10 0 FCAELP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000600477166 492273562 /nfs/dbraw/zinc/27/35/62/492273562.db2.gz KKKMUXJDGMTKAC-IBGZPJMESA-N 2 2 359.518 0.166 10 0 FCAELP C[C@@H](CNC(=O)NCC(C)(C)[NH+]1CCOCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654350116 492293598 /nfs/dbraw/zinc/29/35/98/492293598.db2.gz ZCBZYLUBGCCQHP-HRCADAONSA-N 2 2 356.511 0.894 10 0 FCAELP C[C@@H](CNC(=O)NCC(C)(C)[NH+]1CCOCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654350116 492293602 /nfs/dbraw/zinc/29/36/02/492293602.db2.gz ZCBZYLUBGCCQHP-HRCADAONSA-N 2 2 356.511 0.894 10 0 FCAELP C[C@@H](CNC(=O)NCC(C)(C)N1CC[NH+](C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654363435 492295641 /nfs/dbraw/zinc/29/56/41/492295641.db2.gz SZQQFEFMLUIYDV-YESZJQIVSA-N 2 2 369.554 0.809 10 0 FCAELP C[C@@H](CNC(=O)NCC(C)(C)N1CC[NH+](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654363435 492295643 /nfs/dbraw/zinc/29/56/43/492295643.db2.gz SZQQFEFMLUIYDV-YESZJQIVSA-N 2 2 369.554 0.809 10 0 FCAELP C[C@@H](CNC(=O)NCC(C)(C)[NH+]1CCN(C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654363435 492295646 /nfs/dbraw/zinc/29/56/46/492295646.db2.gz SZQQFEFMLUIYDV-YESZJQIVSA-N 2 2 369.554 0.809 10 0 FCAELP C[C@@H](CNC(=O)NCC(C)(C)[NH+]1CCN(C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654363435 492295647 /nfs/dbraw/zinc/29/56/47/492295647.db2.gz SZQQFEFMLUIYDV-YESZJQIVSA-N 2 2 369.554 0.809 10 0 FCAELP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)NCC2([NH3+])CCOCC2)c1C ZINC000627453918 492301207 /nfs/dbraw/zinc/30/12/07/492301207.db2.gz BQEBALFYVXOCMY-UHFFFAOYSA-N 2 2 364.446 0.290 10 0 FCAELP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C[NH2+]1 ZINC000627479609 492315943 /nfs/dbraw/zinc/31/59/43/492315943.db2.gz DUWYWNMLQSDLJE-KGLIPLIRSA-N 2 2 350.488 0.649 10 0 FCAELP C[C@H]1C[NH+](CCCNc2nc(NCCO)c3ccccc3[nH+]2)C[C@H](C)O1 ZINC000641847971 492319067 /nfs/dbraw/zinc/31/90/67/492319067.db2.gz ODRDYXDFHPCICV-GJZGRUSLSA-N 2 2 359.474 0.789 10 0 FCAELP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)NCCOCCC[NH3+] ZINC000627488727 492319917 /nfs/dbraw/zinc/31/99/17/492319917.db2.gz HINODUIJOVHWML-AWEZNQCLSA-N 2 2 351.451 0.438 10 0 FCAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000627502662 492325403 /nfs/dbraw/zinc/32/54/03/492325403.db2.gz HLXOZKWGLCYFIQ-OFQRWUPVSA-N 2 2 359.474 0.792 10 0 FCAELP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+](C)CCN2Cc2ccccc2)C1 ZINC000620723173 492328286 /nfs/dbraw/zinc/32/82/86/492328286.db2.gz LKPAFDNQGBOHPY-OALUTQOASA-N 2 2 360.502 0.640 10 0 FCAELP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+](C)CCN2Cc2ccccc2)C1 ZINC000620723173 492328290 /nfs/dbraw/zinc/32/82/90/492328290.db2.gz LKPAFDNQGBOHPY-OALUTQOASA-N 2 2 360.502 0.640 10 0 FCAELP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)C1 ZINC000620723173 492328294 /nfs/dbraw/zinc/32/82/94/492328294.db2.gz LKPAFDNQGBOHPY-OALUTQOASA-N 2 2 360.502 0.640 10 0 FCAELP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)C1 ZINC000620723173 492328298 /nfs/dbraw/zinc/32/82/98/492328298.db2.gz LKPAFDNQGBOHPY-OALUTQOASA-N 2 2 360.502 0.640 10 0 FCAELP C[C@H](CNC(=O)N(C)CCCN1CC[NH+](C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652315 492332255 /nfs/dbraw/zinc/33/22/55/492332255.db2.gz LJKXFARTMJFYDK-KURKYZTESA-N 2 2 369.554 0.763 10 0 FCAELP C[C@H](CNC(=O)N(C)CCCN1CC[NH+](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652315 492332259 /nfs/dbraw/zinc/33/22/59/492332259.db2.gz LJKXFARTMJFYDK-KURKYZTESA-N 2 2 369.554 0.763 10 0 FCAELP C[C@H](CNC(=O)N(C)CCC[NH+]1CCN(C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652315 492332260 /nfs/dbraw/zinc/33/22/60/492332260.db2.gz LJKXFARTMJFYDK-KURKYZTESA-N 2 2 369.554 0.763 10 0 FCAELP C[C@H](CNC(=O)N(C)CCC[NH+]1CCN(C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652315 492332266 /nfs/dbraw/zinc/33/22/66/492332266.db2.gz LJKXFARTMJFYDK-KURKYZTESA-N 2 2 369.554 0.763 10 0 FCAELP C[C@@H](CNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654656259 492335412 /nfs/dbraw/zinc/33/54/12/492335412.db2.gz OVTMBDXPKYYABM-ZOFXXKQRSA-N 2 2 356.511 0.581 10 0 FCAELP C[C@@H](CNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654656259 492335414 /nfs/dbraw/zinc/33/54/14/492335414.db2.gz OVTMBDXPKYYABM-ZOFXXKQRSA-N 2 2 356.511 0.581 10 0 FCAELP C[C@@H](CNC(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654656259 492335416 /nfs/dbraw/zinc/33/54/16/492335416.db2.gz OVTMBDXPKYYABM-ZOFXXKQRSA-N 2 2 356.511 0.581 10 0 FCAELP C[C@@H](CNC(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654656259 492335417 /nfs/dbraw/zinc/33/54/17/492335417.db2.gz OVTMBDXPKYYABM-ZOFXXKQRSA-N 2 2 356.511 0.581 10 0 FCAELP CC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C)[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000642188624 492339322 /nfs/dbraw/zinc/33/93/22/492339322.db2.gz BVWISQZMQSRMKH-ZDBHGNHJSA-N 2 2 372.391 0.819 10 0 FCAELP CC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C)[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000642188624 492339326 /nfs/dbraw/zinc/33/93/26/492339326.db2.gz BVWISQZMQSRMKH-ZDBHGNHJSA-N 2 2 372.391 0.819 10 0 FCAELP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000647678937 492344062 /nfs/dbraw/zinc/34/40/62/492344062.db2.gz GJEUWQPALDZDLM-ICSRJNTNSA-N 2 2 372.513 0.691 10 0 FCAELP O=C(NC[C@H]1C[N@H+]2CCN1CCC2)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000647678937 492344066 /nfs/dbraw/zinc/34/40/66/492344066.db2.gz GJEUWQPALDZDLM-ICSRJNTNSA-N 2 2 372.513 0.691 10 0 FCAELP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)CC1 ZINC000621354609 492378955 /nfs/dbraw/zinc/37/89/55/492378955.db2.gz PEYIKZTWQUYJNX-MRXNPFEDSA-N 2 2 351.472 0.410 10 0 FCAELP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)NCc1cn3cc(Cl)ccc3[nH+]1)C2 ZINC000621840316 492423015 /nfs/dbraw/zinc/42/30/15/492423015.db2.gz GVRUPTLERQEJQD-PIGZYNQJSA-N 2 2 361.833 0.944 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622029766 492444409 /nfs/dbraw/zinc/44/44/09/492444409.db2.gz LBYYTLNUUQZNDH-DNVCBOLYSA-N 2 2 357.458 0.378 10 0 FCAELP O=C(NCc1ccc2c[nH+]cn2c1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000643418351 492453209 /nfs/dbraw/zinc/45/32/09/492453209.db2.gz GJFUMLKTPHSXAF-KRWDZBQOSA-N 2 2 371.441 0.274 10 0 FCAELP O=C(CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000635475223 492454542 /nfs/dbraw/zinc/45/45/42/492454542.db2.gz ZMTSABALKIOMDO-IAGOWNOFSA-N 2 2 367.453 0.974 10 0 FCAELP O=C(CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000635475223 492454544 /nfs/dbraw/zinc/45/45/44/492454544.db2.gz ZMTSABALKIOMDO-IAGOWNOFSA-N 2 2 367.453 0.974 10 0 FCAELP C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)cn1 ZINC000622435952 492474480 /nfs/dbraw/zinc/47/44/80/492474480.db2.gz DFCWRCDZTNPOGD-GOSISDBHSA-N 2 2 362.474 0.707 10 0 FCAELP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655922926 492490061 /nfs/dbraw/zinc/49/00/61/492490061.db2.gz UZQOWXGOHFARGE-RYUDHWBXSA-N 2 2 365.400 0.214 10 0 FCAELP [NH3+]C[C@@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C(F)(F)F ZINC000655929353 492490424 /nfs/dbraw/zinc/49/04/24/492490424.db2.gz SSYRDOUNNXPIAV-SNVBAGLBSA-N 2 2 350.345 0.226 10 0 FCAELP CC(C)[C@@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000649076716 492491803 /nfs/dbraw/zinc/49/18/03/492491803.db2.gz BSESBFWHGFHNPM-VQHPVUNQSA-N 2 2 368.522 0.699 10 0 FCAELP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655954643 492496235 /nfs/dbraw/zinc/49/62/35/492496235.db2.gz DNTBPNMXHIVDFJ-KFWWJZLASA-N 2 2 362.474 0.958 10 0 FCAELP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655954643 492496239 /nfs/dbraw/zinc/49/62/39/492496239.db2.gz DNTBPNMXHIVDFJ-KFWWJZLASA-N 2 2 362.474 0.958 10 0 FCAELP CCC[NH+]1CCN(c2ccccc2C[NH+]2CC(NS(C)(=O)=O)C2)CC1 ZINC000628429177 492502007 /nfs/dbraw/zinc/50/20/07/492502007.db2.gz YJAMSKAEWUMGGQ-UHFFFAOYSA-N 2 2 366.531 0.952 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1)CC2 ZINC000643593757 492503968 /nfs/dbraw/zinc/50/39/68/492503968.db2.gz PERJZUDRAXOMRH-HOTGVXAUSA-N 2 2 359.474 0.914 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656019605 492519214 /nfs/dbraw/zinc/51/92/14/492519214.db2.gz HHXFQROEMWDYOE-QMHWVQJVSA-N 2 2 354.495 0.105 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656019605 492519218 /nfs/dbraw/zinc/51/92/18/492519218.db2.gz HHXFQROEMWDYOE-QMHWVQJVSA-N 2 2 354.495 0.105 10 0 FCAELP C[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656021827 492519920 /nfs/dbraw/zinc/51/99/20/492519920.db2.gz LIUMRNQTUAMAEA-PNBKFKSVSA-N 2 2 362.474 0.417 10 0 FCAELP C[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656021827 492519923 /nfs/dbraw/zinc/51/99/23/492519923.db2.gz LIUMRNQTUAMAEA-PNBKFKSVSA-N 2 2 362.474 0.417 10 0 FCAELP C[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656041312 492522079 /nfs/dbraw/zinc/52/20/79/492522079.db2.gz PTWHZAPYYOTFFQ-OWYFMNJBSA-N 2 2 354.495 0.186 10 0 FCAELP C[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656041312 492522081 /nfs/dbraw/zinc/52/20/81/492522081.db2.gz PTWHZAPYYOTFFQ-OWYFMNJBSA-N 2 2 354.495 0.186 10 0 FCAELP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656039539 492522865 /nfs/dbraw/zinc/52/28/65/492522865.db2.gz CSTFKOIKKMCWJB-CAOSSQGBSA-N 2 2 354.495 0.058 10 0 FCAELP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656039539 492522869 /nfs/dbraw/zinc/52/28/69/492522869.db2.gz CSTFKOIKKMCWJB-CAOSSQGBSA-N 2 2 354.495 0.058 10 0 FCAELP C[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656067144 492529356 /nfs/dbraw/zinc/52/93/56/492529356.db2.gz IGABIMIBYFWJGF-WCXIOVBPSA-N 2 2 366.506 0.297 10 0 FCAELP C[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656067144 492529358 /nfs/dbraw/zinc/52/93/58/492529358.db2.gz IGABIMIBYFWJGF-WCXIOVBPSA-N 2 2 366.506 0.297 10 0 FCAELP C[C@H](CNC(=O)C(=O)N(C)CCC[NH+]1CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656072556 492533579 /nfs/dbraw/zinc/53/35/79/492533579.db2.gz QSSWIVLIIKFUKA-ZACQAIPSSA-N 2 2 368.522 0.545 10 0 FCAELP C[C@H](CNC(=O)C(=O)N(C)CCC[NH+]1CCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656072556 492533581 /nfs/dbraw/zinc/53/35/81/492533581.db2.gz QSSWIVLIIKFUKA-ZACQAIPSSA-N 2 2 368.522 0.545 10 0 FCAELP C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656077199 492537754 /nfs/dbraw/zinc/53/77/54/492537754.db2.gz SASVCDPWRMIHFB-MTSZKFMLSA-N 2 2 368.522 0.541 10 0 FCAELP C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656077199 492537759 /nfs/dbraw/zinc/53/77/59/492537759.db2.gz SASVCDPWRMIHFB-MTSZKFMLSA-N 2 2 368.522 0.541 10 0 FCAELP C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656077199 492537762 /nfs/dbraw/zinc/53/77/62/492537762.db2.gz SASVCDPWRMIHFB-MTSZKFMLSA-N 2 2 368.522 0.541 10 0 FCAELP C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656077199 492537767 /nfs/dbraw/zinc/53/77/67/492537767.db2.gz SASVCDPWRMIHFB-MTSZKFMLSA-N 2 2 368.522 0.541 10 0 FCAELP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081009 492542461 /nfs/dbraw/zinc/54/24/61/492542461.db2.gz OAEMXMXPNLLEMR-HRCADAONSA-N 2 2 356.511 0.399 10 0 FCAELP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081009 492542462 /nfs/dbraw/zinc/54/24/62/492542462.db2.gz OAEMXMXPNLLEMR-HRCADAONSA-N 2 2 356.511 0.399 10 0 FCAELP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656083638 492544672 /nfs/dbraw/zinc/54/46/72/492544672.db2.gz LJMJQKMEPHKYGC-MWDXBVQZSA-N 2 2 368.522 0.541 10 0 FCAELP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656083638 492544677 /nfs/dbraw/zinc/54/46/77/492544677.db2.gz LJMJQKMEPHKYGC-MWDXBVQZSA-N 2 2 368.522 0.541 10 0 FCAELP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656083638 492544681 /nfs/dbraw/zinc/54/46/81/492544681.db2.gz LJMJQKMEPHKYGC-MWDXBVQZSA-N 2 2 368.522 0.541 10 0 FCAELP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656083638 492544684 /nfs/dbraw/zinc/54/46/84/492544684.db2.gz LJMJQKMEPHKYGC-MWDXBVQZSA-N 2 2 368.522 0.541 10 0 FCAELP C[N@@H+]1CCOC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000623359077 492547362 /nfs/dbraw/zinc/54/73/62/492547362.db2.gz BYDWNESOUNLFTA-GOSISDBHSA-N 2 2 362.474 0.649 10 0 FCAELP C[N@H+]1CCOC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000623359077 492547366 /nfs/dbraw/zinc/54/73/66/492547366.db2.gz BYDWNESOUNLFTA-GOSISDBHSA-N 2 2 362.474 0.649 10 0 FCAELP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000623381765 492548446 /nfs/dbraw/zinc/54/84/46/492548446.db2.gz GNFKNKIEYBEMGS-SFHVURJKSA-N 2 2 362.474 0.649 10 0 FCAELP C[N@H+]1CCOC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000623381765 492548448 /nfs/dbraw/zinc/54/84/48/492548448.db2.gz GNFKNKIEYBEMGS-SFHVURJKSA-N 2 2 362.474 0.649 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)C1 ZINC000649418774 492553672 /nfs/dbraw/zinc/55/36/72/492553672.db2.gz DVMGRNXGPGECAH-OTWHNJEPSA-N 3 2 366.550 0.923 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)C1 ZINC000649418774 492553675 /nfs/dbraw/zinc/55/36/75/492553675.db2.gz DVMGRNXGPGECAH-OTWHNJEPSA-N 3 2 366.550 0.923 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)C1 ZINC000649418774 492553677 /nfs/dbraw/zinc/55/36/77/492553677.db2.gz DVMGRNXGPGECAH-OTWHNJEPSA-N 3 2 366.550 0.923 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)C1 ZINC000649418774 492553681 /nfs/dbraw/zinc/55/36/81/492553681.db2.gz DVMGRNXGPGECAH-OTWHNJEPSA-N 3 2 366.550 0.923 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656297505 492576043 /nfs/dbraw/zinc/57/60/43/492576043.db2.gz DSDCNTMZFPQIMZ-JONQDZQNSA-N 2 2 366.506 0.201 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656297505 492576045 /nfs/dbraw/zinc/57/60/45/492576045.db2.gz DSDCNTMZFPQIMZ-JONQDZQNSA-N 2 2 366.506 0.201 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656297505 492576049 /nfs/dbraw/zinc/57/60/49/492576049.db2.gz DSDCNTMZFPQIMZ-JONQDZQNSA-N 2 2 366.506 0.201 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656297505 492576051 /nfs/dbraw/zinc/57/60/51/492576051.db2.gz DSDCNTMZFPQIMZ-JONQDZQNSA-N 2 2 366.506 0.201 10 0 FCAELP COC[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000649741530 492577665 /nfs/dbraw/zinc/57/76/65/492577665.db2.gz UAHMMDDSBDRCDT-NZSAHSFTSA-N 2 2 361.486 0.973 10 0 FCAELP COC[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000649741530 492577671 /nfs/dbraw/zinc/57/76/71/492577671.db2.gz UAHMMDDSBDRCDT-NZSAHSFTSA-N 2 2 361.486 0.973 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCC[N@H+](C)C1CCCC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656311051 492584615 /nfs/dbraw/zinc/58/46/15/492584615.db2.gz IFUUDFFEFKMUEA-HRCADAONSA-N 2 2 368.522 0.591 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656311051 492584620 /nfs/dbraw/zinc/58/46/20/492584620.db2.gz IFUUDFFEFKMUEA-HRCADAONSA-N 2 2 368.522 0.591 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCC[NH+](C)C1CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656311051 492584622 /nfs/dbraw/zinc/58/46/22/492584622.db2.gz IFUUDFFEFKMUEA-HRCADAONSA-N 2 2 368.522 0.591 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCC[NH+](C)C1CCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656311051 492584625 /nfs/dbraw/zinc/58/46/25/492584625.db2.gz IFUUDFFEFKMUEA-HRCADAONSA-N 2 2 368.522 0.591 10 0 FCAELP C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2C[NH+](Cc3ccncc3)CCO2)C1 ZINC000623721478 492586430 /nfs/dbraw/zinc/58/64/30/492586430.db2.gz ANTOYAVXDNJLSG-QZTJIDSGSA-N 2 2 361.490 0.923 10 0 FCAELP C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2C[NH+](Cc3ccncc3)CCO2)C1 ZINC000623721478 492586432 /nfs/dbraw/zinc/58/64/32/492586432.db2.gz ANTOYAVXDNJLSG-QZTJIDSGSA-N 2 2 361.490 0.923 10 0 FCAELP C[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)C1 ZINC000623721478 492586435 /nfs/dbraw/zinc/58/64/35/492586435.db2.gz ANTOYAVXDNJLSG-QZTJIDSGSA-N 2 2 361.490 0.923 10 0 FCAELP C[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)C1 ZINC000623721478 492586438 /nfs/dbraw/zinc/58/64/38/492586438.db2.gz ANTOYAVXDNJLSG-QZTJIDSGSA-N 2 2 361.490 0.923 10 0 FCAELP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656344791 492605149 /nfs/dbraw/zinc/60/51/49/492605149.db2.gz ZKLLPTLCXXODMS-JONQDZQNSA-N 2 2 354.495 0.201 10 0 FCAELP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656344791 492605151 /nfs/dbraw/zinc/60/51/51/492605151.db2.gz ZKLLPTLCXXODMS-JONQDZQNSA-N 2 2 354.495 0.201 10 0 FCAELP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656344791 492605155 /nfs/dbraw/zinc/60/51/55/492605155.db2.gz ZKLLPTLCXXODMS-JONQDZQNSA-N 2 2 354.495 0.201 10 0 FCAELP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656344791 492605157 /nfs/dbraw/zinc/60/51/57/492605157.db2.gz ZKLLPTLCXXODMS-JONQDZQNSA-N 2 2 354.495 0.201 10 0 FCAELP C[NH+](C)CCN1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1=O ZINC000650302953 492628886 /nfs/dbraw/zinc/62/88/86/492628886.db2.gz GFBGHEANCCKIQZ-UHFFFAOYSA-N 2 2 355.442 0.777 10 0 FCAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CN(S(=O)(=O)N(C)C)C2)[C@H](C)C1 ZINC000624283437 492634551 /nfs/dbraw/zinc/63/45/51/492634551.db2.gz OOUJINNCTGSDMY-ZBFHGGJFSA-N 2 2 362.540 0.204 10 0 FCAELP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CN(S(=O)(=O)N(C)C)C2)[C@H](C)C1 ZINC000624283437 492634552 /nfs/dbraw/zinc/63/45/52/492634552.db2.gz OOUJINNCTGSDMY-ZBFHGGJFSA-N 2 2 362.540 0.204 10 0 FCAELP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585030 492657672 /nfs/dbraw/zinc/65/76/72/492657672.db2.gz YIOPCGKPKJEPAZ-RYGJVYDSSA-N 2 2 374.485 0.884 10 0 FCAELP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585030 492657674 /nfs/dbraw/zinc/65/76/74/492657674.db2.gz YIOPCGKPKJEPAZ-RYGJVYDSSA-N 2 2 374.485 0.884 10 0 FCAELP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585031 492658029 /nfs/dbraw/zinc/65/80/29/492658029.db2.gz YIOPCGKPKJEPAZ-YSGRDPCXSA-N 2 2 374.485 0.884 10 0 FCAELP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585031 492658035 /nfs/dbraw/zinc/65/80/35/492658035.db2.gz YIOPCGKPKJEPAZ-YSGRDPCXSA-N 2 2 374.485 0.884 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)CC2 ZINC000629801916 492679964 /nfs/dbraw/zinc/67/99/64/492679964.db2.gz PKFNVTCOPBJGFA-RYUDHWBXSA-N 2 2 373.379 0.519 10 0 FCAELP COCCOCC[NH+]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000650935682 492685479 /nfs/dbraw/zinc/68/54/79/492685479.db2.gz REWCNOAWAGEZFT-AYHJJNSGSA-N 2 2 368.522 0.992 10 0 FCAELP COCCOCC[NH+]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000650935682 492685480 /nfs/dbraw/zinc/68/54/80/492685480.db2.gz REWCNOAWAGEZFT-AYHJJNSGSA-N 2 2 368.522 0.992 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1cccc2c1OCCO2 ZINC000657092340 492715402 /nfs/dbraw/zinc/71/54/02/492715402.db2.gz TZMPFMMQDCDCIX-UHFFFAOYSA-N 2 2 357.476 0.620 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1cccc2c1OCCO2 ZINC000657092340 492715405 /nfs/dbraw/zinc/71/54/05/492715405.db2.gz TZMPFMMQDCDCIX-UHFFFAOYSA-N 2 2 357.476 0.620 10 0 FCAELP CC(=O)Nc1ccc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000657093113 492716352 /nfs/dbraw/zinc/71/63/52/492716352.db2.gz YVGCEKNKWLVBMK-UHFFFAOYSA-N 2 2 356.492 0.807 10 0 FCAELP CC(=O)Nc1ccc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000657093113 492716357 /nfs/dbraw/zinc/71/63/57/492716357.db2.gz YVGCEKNKWLVBMK-UHFFFAOYSA-N 2 2 356.492 0.807 10 0 FCAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H]3C[C@@H](C(N)=O)C3)CC2)CC1 ZINC000651276205 492732543 /nfs/dbraw/zinc/73/25/43/492732543.db2.gz OTHYDPCLTPVMBF-GASCZTMLSA-N 2 2 351.495 0.452 10 0 FCAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H]3C[C@@H](C(N)=O)C3)CC2)CC1 ZINC000651276205 492732547 /nfs/dbraw/zinc/73/25/47/492732547.db2.gz OTHYDPCLTPVMBF-GASCZTMLSA-N 2 2 351.495 0.452 10 0 FCAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCN(C(=O)C[NH+]3CCCC3)CC1)CC2 ZINC000625243460 492744035 /nfs/dbraw/zinc/74/40/35/492744035.db2.gz MPMDSFKTGMQEHG-MRXNPFEDSA-N 2 2 359.474 0.521 10 0 FCAELP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000651530923 492775344 /nfs/dbraw/zinc/77/53/44/492775344.db2.gz MWELXZTZSLUOTR-MRXNPFEDSA-N 2 2 359.474 0.527 10 0 FCAELP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000651530923 492775350 /nfs/dbraw/zinc/77/53/50/492775350.db2.gz MWELXZTZSLUOTR-MRXNPFEDSA-N 2 2 359.474 0.527 10 0 FCAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000644512507 492780125 /nfs/dbraw/zinc/78/01/25/492780125.db2.gz PSSVWJQXEBNAHU-KRWDZBQOSA-N 2 2 363.483 0.917 10 0 FCAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000644512507 492780127 /nfs/dbraw/zinc/78/01/27/492780127.db2.gz PSSVWJQXEBNAHU-KRWDZBQOSA-N 2 2 363.483 0.917 10 0 FCAELP COC[C@H](CC1CCOCC1)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000657918445 492814139 /nfs/dbraw/zinc/81/41/39/492814139.db2.gz CPMDYMFITSLABC-ROUUACIJSA-N 2 2 369.506 0.341 10 0 FCAELP COC[C@H](CC1CCOCC1)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000657918443 492814687 /nfs/dbraw/zinc/81/46/87/492814687.db2.gz CPMDYMFITSLABC-MSOLQXFVSA-N 2 2 369.506 0.341 10 0 FCAELP C[NH+](C)CCN(Cc1ccccc1)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631678556 492834541 /nfs/dbraw/zinc/83/45/41/492834541.db2.gz DTLGBOQQTCEVRH-QGZVFWFLSA-N 2 2 355.504 0.711 10 0 FCAELP C[NH+](C)CCN(Cc1ccccc1)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631678556 492834543 /nfs/dbraw/zinc/83/45/43/492834543.db2.gz DTLGBOQQTCEVRH-QGZVFWFLSA-N 2 2 355.504 0.711 10 0 FCAELP C[N@@H+]1CCO[C@H](CS(=O)(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000631735188 492844560 /nfs/dbraw/zinc/84/45/60/492844560.db2.gz XOZVMQIZXGTSSS-ROUUACIJSA-N 2 2 367.515 0.901 10 0 FCAELP C[N@H+]1CCO[C@H](CS(=O)(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000631735188 492844564 /nfs/dbraw/zinc/84/45/64/492844564.db2.gz XOZVMQIZXGTSSS-ROUUACIJSA-N 2 2 367.515 0.901 10 0 FCAELP C[NH+]1CCO[C@H](CS(=O)(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000631735188 492844568 /nfs/dbraw/zinc/84/45/68/492844568.db2.gz XOZVMQIZXGTSSS-ROUUACIJSA-N 2 2 367.515 0.901 10 0 FCAELP C[NH+]1CCO[C@H](CS(=O)(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000631735188 492844571 /nfs/dbraw/zinc/84/45/71/492844571.db2.gz XOZVMQIZXGTSSS-ROUUACIJSA-N 2 2 367.515 0.901 10 0 FCAELP C[C@@H]1C[C@@H](C)C[NH+](CCCCNS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)C1 ZINC000631757997 492847806 /nfs/dbraw/zinc/84/78/06/492847806.db2.gz ONVUSQNVQQGPID-ZACQAIPSSA-N 2 2 361.552 0.995 10 0 FCAELP C[C@@H]1C[C@@H](C)C[NH+](CCCCNS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000631757997 492847808 /nfs/dbraw/zinc/84/78/08/492847808.db2.gz ONVUSQNVQQGPID-ZACQAIPSSA-N 2 2 361.552 0.995 10 0 FCAELP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[NH+](C4CC4)CC3)CC2)c1 ZINC000658191853 492848956 /nfs/dbraw/zinc/84/89/56/492848956.db2.gz TZOJVUFKERMYBL-UHFFFAOYSA-N 2 2 357.458 0.345 10 0 FCAELP Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)o1 ZINC000631776807 492851440 /nfs/dbraw/zinc/85/14/40/492851440.db2.gz PZLGHTQOHDTFIV-INIZCTEOSA-N 2 2 359.492 0.612 10 0 FCAELP Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)o1 ZINC000631776807 492851442 /nfs/dbraw/zinc/85/14/42/492851442.db2.gz PZLGHTQOHDTFIV-INIZCTEOSA-N 2 2 359.492 0.612 10 0 FCAELP CC[N@H+](C)Cc1cccc(CNS(=O)(=O)C[C@@H]2C[NH+](C)CCO2)c1 ZINC000631785167 492851989 /nfs/dbraw/zinc/85/19/89/492851989.db2.gz MGWPWQZHWROJCN-KRWDZBQOSA-N 2 2 355.504 0.888 10 0 FCAELP CC[N@@H+](C)Cc1cccc(CNS(=O)(=O)C[C@@H]2C[NH+](C)CCO2)c1 ZINC000631785167 492851994 /nfs/dbraw/zinc/85/19/94/492851994.db2.gz MGWPWQZHWROJCN-KRWDZBQOSA-N 2 2 355.504 0.888 10 0 FCAELP CC[NH+](C)Cc1cccc(CNS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)c1 ZINC000631785167 492851997 /nfs/dbraw/zinc/85/19/97/492851997.db2.gz MGWPWQZHWROJCN-KRWDZBQOSA-N 2 2 355.504 0.888 10 0 FCAELP CC[NH+](C)Cc1cccc(CNS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000631785167 492852001 /nfs/dbraw/zinc/85/20/01/492852001.db2.gz MGWPWQZHWROJCN-KRWDZBQOSA-N 2 2 355.504 0.888 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cccc(C(N)=O)c1 ZINC000658334746 492860982 /nfs/dbraw/zinc/86/09/82/492860982.db2.gz BCTAOAFCSDVGFO-ZDUSSCGKSA-N 2 2 363.462 0.112 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cccc(C(N)=O)c1 ZINC000658334746 492860985 /nfs/dbraw/zinc/86/09/85/492860985.db2.gz BCTAOAFCSDVGFO-ZDUSSCGKSA-N 2 2 363.462 0.112 10 0 FCAELP COc1cc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)ccn1 ZINC000658339807 492861922 /nfs/dbraw/zinc/86/19/22/492861922.db2.gz VUUYHNHNFUBUIY-ZDUSSCGKSA-N 2 2 351.451 0.417 10 0 FCAELP COc1cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)ccn1 ZINC000658339807 492861927 /nfs/dbraw/zinc/86/19/27/492861927.db2.gz VUUYHNHNFUBUIY-ZDUSSCGKSA-N 2 2 351.451 0.417 10 0 FCAELP CCn1cc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)ccc1=O ZINC000658337154 492862028 /nfs/dbraw/zinc/86/20/28/492862028.db2.gz SIUMGYHGMBQSSJ-AWEZNQCLSA-N 2 2 365.478 0.195 10 0 FCAELP CCn1cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)ccc1=O ZINC000658337154 492862030 /nfs/dbraw/zinc/86/20/30/492862030.db2.gz SIUMGYHGMBQSSJ-AWEZNQCLSA-N 2 2 365.478 0.195 10 0 FCAELP Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000658336188 492862139 /nfs/dbraw/zinc/86/21/39/492862139.db2.gz OUJQNASHNHWZIE-AWEZNQCLSA-N 2 2 365.478 0.020 10 0 FCAELP Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000658336188 492862140 /nfs/dbraw/zinc/86/21/40/492862140.db2.gz OUJQNASHNHWZIE-AWEZNQCLSA-N 2 2 365.478 0.020 10 0 FCAELP Cc1ccc([C@@H](CNS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)[NH+]2CCCC2)o1 ZINC000631875900 492867365 /nfs/dbraw/zinc/86/73/65/492867365.db2.gz BGUCHDJHDBPRPV-JKSUJKDBSA-N 2 2 371.503 0.975 10 0 FCAELP Cc1ccc([C@@H](CNS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)[NH+]2CCCC2)o1 ZINC000631875900 492867367 /nfs/dbraw/zinc/86/73/67/492867367.db2.gz BGUCHDJHDBPRPV-JKSUJKDBSA-N 2 2 371.503 0.975 10 0 FCAELP Cc1ccc([C@H](CNS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)[NH+]2CCCC2)o1 ZINC000631875897 492867521 /nfs/dbraw/zinc/86/75/21/492867521.db2.gz BGUCHDJHDBPRPV-CVEARBPZSA-N 2 2 371.503 0.975 10 0 FCAELP Cc1ccc([C@H](CNS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)[NH+]2CCCC2)o1 ZINC000631875897 492867526 /nfs/dbraw/zinc/86/75/26/492867526.db2.gz BGUCHDJHDBPRPV-CVEARBPZSA-N 2 2 371.503 0.975 10 0 FCAELP NC(=O)CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631887003 492870842 /nfs/dbraw/zinc/87/08/42/492870842.db2.gz NSXMFMNVZNYYNZ-MSOLQXFVSA-N 2 2 358.486 0.965 10 0 FCAELP NC(=O)CCN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631887003 492870845 /nfs/dbraw/zinc/87/08/45/492870845.db2.gz NSXMFMNVZNYYNZ-MSOLQXFVSA-N 2 2 358.486 0.965 10 0 FCAELP C[NH+]1CCN(c2ncccc2CNc2nc(N)[nH+]c3c2CCCC3)CC1 ZINC000645141753 492872415 /nfs/dbraw/zinc/87/24/15/492872415.db2.gz QYAQIQYXBYEKJC-UHFFFAOYSA-N 2 2 353.474 1.118 10 0 FCAELP Cc1ccccc1C[NH+]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631909808 492875833 /nfs/dbraw/zinc/87/58/33/492875833.db2.gz PJJMFTMEKYHROH-KRWDZBQOSA-N 2 2 353.488 0.431 10 0 FCAELP COc1c(F)cc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1F ZINC000658426458 492884709 /nfs/dbraw/zinc/88/47/09/492884709.db2.gz HKSMQVPUAHTBCA-UHFFFAOYSA-N 2 2 372.416 0.912 10 0 FCAELP COc1c(F)cc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1F ZINC000658426458 492884714 /nfs/dbraw/zinc/88/47/14/492884714.db2.gz HKSMQVPUAHTBCA-UHFFFAOYSA-N 2 2 372.416 0.912 10 0 FCAELP Cc1cc2c(cc1NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)OCO2 ZINC000658428621 492886343 /nfs/dbraw/zinc/88/63/43/492886343.db2.gz MVFDCFLVAXRUSD-UHFFFAOYSA-N 2 2 364.446 0.662 10 0 FCAELP Cc1cc2c(cc1NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)OCO2 ZINC000658428621 492886346 /nfs/dbraw/zinc/88/63/46/492886346.db2.gz MVFDCFLVAXRUSD-UHFFFAOYSA-N 2 2 364.446 0.662 10 0 FCAELP Cc1cc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)nn1C(C)C ZINC000658428319 492886551 /nfs/dbraw/zinc/88/65/51/492886551.db2.gz PIIBZVWEDDEYIA-UHFFFAOYSA-N 2 2 352.483 0.711 10 0 FCAELP Cc1cc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)nn1C(C)C ZINC000658428319 492886552 /nfs/dbraw/zinc/88/65/52/492886552.db2.gz PIIBZVWEDDEYIA-UHFFFAOYSA-N 2 2 352.483 0.711 10 0 FCAELP COc1ccc(F)cc1NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000658428461 492886630 /nfs/dbraw/zinc/88/66/30/492886630.db2.gz KFGFHIYZWFJPOZ-UHFFFAOYSA-N 2 2 354.426 0.773 10 0 FCAELP COc1ccc(F)cc1NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000658428461 492886634 /nfs/dbraw/zinc/88/66/34/492886634.db2.gz KFGFHIYZWFJPOZ-UHFFFAOYSA-N 2 2 354.426 0.773 10 0 FCAELP Cc1cc2n[nH]cc2cc1NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000658428665 492886794 /nfs/dbraw/zinc/88/67/94/492886794.db2.gz NLWOTUIQGKZZBU-UHFFFAOYSA-N 2 2 360.462 0.810 10 0 FCAELP Cc1cc2n[nH]cc2cc1NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000658428665 492886795 /nfs/dbraw/zinc/88/67/95/492886795.db2.gz NLWOTUIQGKZZBU-UHFFFAOYSA-N 2 2 360.462 0.810 10 0 FCAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)CC2 ZINC000625798494 492889043 /nfs/dbraw/zinc/88/90/43/492889043.db2.gz OPGHEBIWUOCUCD-AWEZNQCLSA-N 2 2 373.461 0.267 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC(C)(C)[C@]3(O)CCOC3)C2)CC1 ZINC000645295608 492889688 /nfs/dbraw/zinc/88/96/88/492889688.db2.gz XRZXADYBIMCVJG-KXBFYZLASA-N 2 2 368.522 0.632 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC(C)(C)[C@]3(O)CCOC3)C2)CC1 ZINC000645295608 492889690 /nfs/dbraw/zinc/88/96/90/492889690.db2.gz XRZXADYBIMCVJG-KXBFYZLASA-N 2 2 368.522 0.632 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC(C)(C)[C@@]3(O)CCOC3)C2)CC1 ZINC000645295607 492889960 /nfs/dbraw/zinc/88/99/60/492889960.db2.gz XRZXADYBIMCVJG-HNAYVOBHSA-N 2 2 368.522 0.632 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC(C)(C)[C@@]3(O)CCOC3)C2)CC1 ZINC000645295607 492889964 /nfs/dbraw/zinc/88/99/64/492889964.db2.gz XRZXADYBIMCVJG-HNAYVOBHSA-N 2 2 368.522 0.632 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1=O ZINC000652177484 492890690 /nfs/dbraw/zinc/89/06/90/492890690.db2.gz LWSRETIDMIMPNI-KHYOSLBOSA-N 2 2 374.489 0.682 10 0 FCAELP [NH3+]C[C@H](NC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)C(F)(F)F ZINC000625899473 492900164 /nfs/dbraw/zinc/90/01/64/492900164.db2.gz UTLTZHJFAUYNAZ-STQMWFEESA-N 2 2 361.368 0.471 10 0 FCAELP [NH3+]C[C@H](NC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)C(F)(F)F ZINC000625899473 492900168 /nfs/dbraw/zinc/90/01/68/492900168.db2.gz UTLTZHJFAUYNAZ-STQMWFEESA-N 2 2 361.368 0.471 10 0 FCAELP CCO[C@@H]1C[N@H+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000652357823 492916104 /nfs/dbraw/zinc/91/61/04/492916104.db2.gz DWVKRDWQVJGNFA-CZUORRHYSA-N 2 2 366.437 0.330 10 0 FCAELP CCO[C@@H]1C[N@@H+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000652357823 492916108 /nfs/dbraw/zinc/91/61/08/492916108.db2.gz DWVKRDWQVJGNFA-CZUORRHYSA-N 2 2 366.437 0.330 10 0 FCAELP CCO[C@@H]1C[N@H+](CC(=O)N(C)Cc2cccc(OC)c2OC)C[C@H]1C[NH3+] ZINC000652358273 492916509 /nfs/dbraw/zinc/91/65/09/492916509.db2.gz REVKXKNQFGSCQA-NVXWUHKLSA-N 2 2 365.474 0.958 10 0 FCAELP CCO[C@@H]1C[N@@H+](CC(=O)N(C)Cc2cccc(OC)c2OC)C[C@H]1C[NH3+] ZINC000652358273 492916514 /nfs/dbraw/zinc/91/65/14/492916514.db2.gz REVKXKNQFGSCQA-NVXWUHKLSA-N 2 2 365.474 0.958 10 0 FCAELP C[N@H+](Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)C[C@H]2C[NH+](C)CCO2)C1 ZINC000632041099 492917888 /nfs/dbraw/zinc/91/78/88/492917888.db2.gz AQKOOXOFNBEZNH-QZTJIDSGSA-N 2 2 367.515 0.853 10 0 FCAELP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)C[C@H]2C[NH+](C)CCO2)C1 ZINC000632041099 492917891 /nfs/dbraw/zinc/91/78/91/492917891.db2.gz AQKOOXOFNBEZNH-QZTJIDSGSA-N 2 2 367.515 0.853 10 0 FCAELP C[NH+](Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)C1 ZINC000632041099 492917895 /nfs/dbraw/zinc/91/78/95/492917895.db2.gz AQKOOXOFNBEZNH-QZTJIDSGSA-N 2 2 367.515 0.853 10 0 FCAELP C[NH+](Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)C1 ZINC000632041099 492917897 /nfs/dbraw/zinc/91/78/97/492917897.db2.gz AQKOOXOFNBEZNH-QZTJIDSGSA-N 2 2 367.515 0.853 10 0 FCAELP C[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626037620 492922345 /nfs/dbraw/zinc/92/23/45/492922345.db2.gz WQKSOMAJAMXBMO-HDICACEKSA-N 2 2 374.485 0.331 10 0 FCAELP C[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626037620 492922350 /nfs/dbraw/zinc/92/23/50/492922350.db2.gz WQKSOMAJAMXBMO-HDICACEKSA-N 2 2 374.485 0.331 10 0 FCAELP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@]3(C)C[NH2+]CCO3)c2)CC1 ZINC000638303193 492931377 /nfs/dbraw/zinc/93/13/77/492931377.db2.gz WUTXSZHIBHFNBA-IBGZPJMESA-N 2 2 360.458 0.668 10 0 FCAELP CC[C@H](C)[NH2+][C@H](CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)c1ccco1 ZINC000632328633 492974636 /nfs/dbraw/zinc/97/46/36/492974636.db2.gz FUTUNNCIXQOTMH-RRFJBIMHSA-N 2 2 359.492 0.959 10 0 FCAELP CC[C@H](C)[NH2+][C@H](CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)c1ccco1 ZINC000632328633 492974638 /nfs/dbraw/zinc/97/46/38/492974638.db2.gz FUTUNNCIXQOTMH-RRFJBIMHSA-N 2 2 359.492 0.959 10 0 FCAELP [NH3+]CC1(CCNC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000652666963 492982232 /nfs/dbraw/zinc/98/22/32/492982232.db2.gz YYLVOFKWUXIIKM-KRWDZBQOSA-N 2 2 374.485 0.249 10 0 FCAELP [NH3+]CC1(CCNC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000652666963 492982235 /nfs/dbraw/zinc/98/22/35/492982235.db2.gz YYLVOFKWUXIIKM-KRWDZBQOSA-N 2 2 374.485 0.249 10 0 FCAELP O=C(NCc1[nH+]ccn1CC(F)(F)F)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000645912031 492987771 /nfs/dbraw/zinc/98/77/71/492987771.db2.gz ADHUFHYBTSSPDF-SNVBAGLBSA-N 2 2 357.340 0.719 10 0 FCAELP [NH3+]CC1(CCNC(=O)C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC000652680402 492988434 /nfs/dbraw/zinc/98/84/34/492988434.db2.gz CLUQJESHDFKTIJ-UHFFFAOYSA-N 2 2 359.474 0.933 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCN3CC(F)(F)C[C@H]3C2)C1 ZINC000645939292 492989385 /nfs/dbraw/zinc/98/93/85/492989385.db2.gz ZPLWLVMPCOFGMM-JKSUJKDBSA-N 2 2 374.476 0.485 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCN3CC(F)(F)C[C@H]3C2)C1 ZINC000645939292 492989388 /nfs/dbraw/zinc/98/93/88/492989388.db2.gz ZPLWLVMPCOFGMM-JKSUJKDBSA-N 2 2 374.476 0.485 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)C1 ZINC000645939292 492989391 /nfs/dbraw/zinc/98/93/91/492989391.db2.gz ZPLWLVMPCOFGMM-JKSUJKDBSA-N 2 2 374.476 0.485 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCN3CC(F)(F)C[C@H]3C2)C1 ZINC000645939292 492989395 /nfs/dbraw/zinc/98/93/95/492989395.db2.gz ZPLWLVMPCOFGMM-JKSUJKDBSA-N 2 2 374.476 0.485 10 0 FCAELP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000658680245 493005989 /nfs/dbraw/zinc/00/59/89/493005989.db2.gz YBDZBOKBDOGXJP-MRXNPFEDSA-N 2 2 365.478 0.301 10 0 FCAELP C[NH+](C)CCN1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1=O ZINC000652735852 493012517 /nfs/dbraw/zinc/01/25/17/493012517.db2.gz VSFUCJCEXLKBSA-KRWDZBQOSA-N 2 2 359.474 0.278 10 0 FCAELP C[NH+](C)CCN1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1=O ZINC000652735852 493012519 /nfs/dbraw/zinc/01/25/19/493012519.db2.gz VSFUCJCEXLKBSA-KRWDZBQOSA-N 2 2 359.474 0.278 10 0 FCAELP CCN1C(=O)CO[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CC)[C@@H]1c1[nH+]ccn1C ZINC000626733208 493013338 /nfs/dbraw/zinc/01/33/38/493013338.db2.gz KNZDLHIIIOXNAO-FVQBIDKESA-N 2 2 365.478 0.555 10 0 FCAELP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000646119958 493016739 /nfs/dbraw/zinc/01/67/39/493016739.db2.gz SPGTWXBMMUYDGR-MOPGFXCFSA-N 2 2 358.486 0.394 10 0 FCAELP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000646119958 493016744 /nfs/dbraw/zinc/01/67/44/493016744.db2.gz SPGTWXBMMUYDGR-MOPGFXCFSA-N 2 2 358.486 0.394 10 0 FCAELP O=C(NC[C@@H]1C[NH+]2CCN1CCC2)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646119958 493016750 /nfs/dbraw/zinc/01/67/50/493016750.db2.gz SPGTWXBMMUYDGR-MOPGFXCFSA-N 2 2 358.486 0.394 10 0 FCAELP O=C(NC[C@@H]1C[NH+]2CCN1CCC2)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646119958 493016752 /nfs/dbraw/zinc/01/67/52/493016752.db2.gz SPGTWXBMMUYDGR-MOPGFXCFSA-N 2 2 358.486 0.394 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000632548790 493027247 /nfs/dbraw/zinc/02/72/47/493027247.db2.gz WJCXSJNGHOXVCL-JTQLQIEISA-N 2 2 371.429 0.979 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000632548790 493027249 /nfs/dbraw/zinc/02/72/49/493027249.db2.gz WJCXSJNGHOXVCL-JTQLQIEISA-N 2 2 371.429 0.979 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000658752450 493041314 /nfs/dbraw/zinc/04/13/14/493041314.db2.gz CETKEBJIMGQORS-INIZCTEOSA-N 2 2 358.486 0.739 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000658752450 493041318 /nfs/dbraw/zinc/04/13/18/493041318.db2.gz CETKEBJIMGQORS-INIZCTEOSA-N 2 2 358.486 0.739 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000658752453 493041532 /nfs/dbraw/zinc/04/15/32/493041532.db2.gz CETKEBJIMGQORS-MRXNPFEDSA-N 2 2 358.486 0.739 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000658752453 493041535 /nfs/dbraw/zinc/04/15/35/493041535.db2.gz CETKEBJIMGQORS-MRXNPFEDSA-N 2 2 358.486 0.739 10 0 FCAELP CCC(CC)[C@H](C(=O)N1CC(C[NH+]2CCOCC2)C1)[NH+]1CCOCC1 ZINC000646356611 493042742 /nfs/dbraw/zinc/04/27/42/493042742.db2.gz CKDDYDMRTWDQSV-GOSISDBHSA-N 2 2 353.507 0.914 10 0 FCAELP CC(C)[C@H](C(=O)N1CC(C[NH+]2CCOCC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000646355563 493042791 /nfs/dbraw/zinc/04/27/91/493042791.db2.gz POTHFZFNYOAWEJ-SOLBZPMBSA-N 2 2 353.507 0.911 10 0 FCAELP CC(C)[C@H](C(=O)N1CC(C[NH+]2CCOCC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000646355563 493042796 /nfs/dbraw/zinc/04/27/96/493042796.db2.gz POTHFZFNYOAWEJ-SOLBZPMBSA-N 2 2 353.507 0.911 10 0 FCAELP CCN(C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000658806574 493063580 /nfs/dbraw/zinc/06/35/80/493063580.db2.gz GYFJDDJUQJZICO-MRXNPFEDSA-N 2 2 364.515 0.945 10 0 FCAELP CCN(C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000658806574 493063583 /nfs/dbraw/zinc/06/35/83/493063583.db2.gz GYFJDDJUQJZICO-MRXNPFEDSA-N 2 2 364.515 0.945 10 0 FCAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000626958762 493070094 /nfs/dbraw/zinc/07/00/94/493070094.db2.gz PWOBVQIAEROPGV-LSDHHAIUSA-N 2 2 360.462 0.170 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1=O ZINC000627011642 493079979 /nfs/dbraw/zinc/07/99/79/493079979.db2.gz GZCJTSQYYRVKJY-ZOCIIQOWSA-N 2 2 374.489 0.552 10 0 FCAELP C[C@]1(CNC(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)CCC[NH2+]C1 ZINC000627085828 493086494 /nfs/dbraw/zinc/08/64/94/493086494.db2.gz XDFQUNFLJBULAH-MJGOQNOKSA-N 2 2 361.490 0.971 10 0 FCAELP C[C@]1(CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)CCC[NH2+]C1 ZINC000627085828 493086500 /nfs/dbraw/zinc/08/65/00/493086500.db2.gz XDFQUNFLJBULAH-MJGOQNOKSA-N 2 2 361.490 0.971 10 0 FCAELP O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000627107036 493088064 /nfs/dbraw/zinc/08/80/64/493088064.db2.gz VOUNJXREELADKM-NCXUSEDFSA-N 2 2 373.501 0.970 10 0 FCAELP O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000627107036 493088067 /nfs/dbraw/zinc/08/80/67/493088067.db2.gz VOUNJXREELADKM-NCXUSEDFSA-N 2 2 373.501 0.970 10 0 FCAELP COCCOCC[NH+]1CCN(C(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000653275537 493088427 /nfs/dbraw/zinc/08/84/27/493088427.db2.gz HSKJULCXMOWWRA-TXPKVOOTSA-N 2 2 369.506 0.326 10 0 FCAELP O=C(NCCC1CC[NH2+]CC1)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000627111778 493089091 /nfs/dbraw/zinc/08/90/91/493089091.db2.gz UMZMRDMFQPPBIX-SFHVURJKSA-N 2 2 361.490 0.971 10 0 FCAELP O=C(NCCC1CC[NH2+]CC1)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000627111778 493089095 /nfs/dbraw/zinc/08/90/95/493089095.db2.gz UMZMRDMFQPPBIX-SFHVURJKSA-N 2 2 361.490 0.971 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000633028915 493105830 /nfs/dbraw/zinc/10/58/30/493105830.db2.gz SYXUGZIDJOFEQU-GDBMZVCRSA-N 2 2 360.458 0.511 10 0 FCAELP C[C@]1(F)C[NH2+]CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)C1 ZINC000627224959 493109781 /nfs/dbraw/zinc/10/97/81/493109781.db2.gz RHZBZNOQYNLNCH-AEFFLSMTSA-N 2 2 365.453 0.625 10 0 FCAELP C[C@]1(F)C[NH2+]CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)C1 ZINC000627224959 493109785 /nfs/dbraw/zinc/10/97/85/493109785.db2.gz RHZBZNOQYNLNCH-AEFFLSMTSA-N 2 2 365.453 0.625 10 0 FCAELP C[C@@]1(F)C[NH2+]CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)C1 ZINC000627224968 493110081 /nfs/dbraw/zinc/11/00/81/493110081.db2.gz RHZBZNOQYNLNCH-SJLPKXTDSA-N 2 2 365.453 0.625 10 0 FCAELP C[C@@]1(F)C[NH2+]CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)C1 ZINC000627224968 493110085 /nfs/dbraw/zinc/11/00/85/493110085.db2.gz RHZBZNOQYNLNCH-SJLPKXTDSA-N 2 2 365.453 0.625 10 0 FCAELP C[C@@H]1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)C[C@@H]1C[NH3+] ZINC000627225402 493110626 /nfs/dbraw/zinc/11/06/26/493110626.db2.gz XCZZHJQHVHITFE-NJAFHUGGSA-N 2 2 361.490 0.909 10 0 FCAELP C[C@@H]1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)C[C@@H]1C[NH3+] ZINC000627225402 493110630 /nfs/dbraw/zinc/11/06/30/493110630.db2.gz XCZZHJQHVHITFE-NJAFHUGGSA-N 2 2 361.490 0.909 10 0 FCAELP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000653391450 493115645 /nfs/dbraw/zinc/11/56/45/493115645.db2.gz CSXHOHAAEIFVOW-HOTGVXAUSA-N 2 2 356.511 0.306 10 0 FCAELP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000653391450 493115649 /nfs/dbraw/zinc/11/56/49/493115649.db2.gz CSXHOHAAEIFVOW-HOTGVXAUSA-N 2 2 356.511 0.306 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000633102092 493126158 /nfs/dbraw/zinc/12/61/58/493126158.db2.gz QMTLMHINCPUJCM-MRXNPFEDSA-N 2 2 359.474 0.769 10 0 FCAELP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633106161 493129351 /nfs/dbraw/zinc/12/93/51/493129351.db2.gz QYYNFIGBBACHOB-AWEZNQCLSA-N 2 2 357.414 0.550 10 0 FCAELP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627309368 493144764 /nfs/dbraw/zinc/14/47/64/493144764.db2.gz OUWCEBCJNPZESK-BGYRXZFFSA-N 2 2 369.469 0.919 10 0 FCAELP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659099203 493151474 /nfs/dbraw/zinc/15/14/74/493151474.db2.gz VBLIGLVJZKQNLK-INIZCTEOSA-N 2 2 360.458 0.668 10 0 FCAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000627344388 493164474 /nfs/dbraw/zinc/16/44/74/493164474.db2.gz DLINNUZKQJIVFD-JKSUJKDBSA-N 2 2 359.474 0.945 10 0 FCAELP C[NH+]1CCN(S(=O)(=O)N2CC[NH+]([C@@H]3CCc4ccccc43)CC2)CC1 ZINC000681672183 493204932 /nfs/dbraw/zinc/20/49/32/493204932.db2.gz QGNZKESABMVLBU-GOSISDBHSA-N 2 2 364.515 0.784 10 0 FCAELP Cc1cc(NCCNC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000627407778 493206264 /nfs/dbraw/zinc/20/62/64/493206264.db2.gz FAGJVJDBKVTPNY-AWEZNQCLSA-N 2 2 362.478 0.695 10 0 FCAELP Cc1cc(NCCNC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)nc(C(C)C)[nH+]1 ZINC000627409806 493206924 /nfs/dbraw/zinc/20/69/24/493206924.db2.gz NUJNLGJSGJNXMB-AWEZNQCLSA-N 2 2 364.494 0.926 10 0 FCAELP C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000672571554 493208612 /nfs/dbraw/zinc/20/86/12/493208612.db2.gz OBRUZOVDPNGLTI-ZBFHGGJFSA-N 2 2 350.507 0.966 10 0 FCAELP C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000672571554 493208613 /nfs/dbraw/zinc/20/86/13/493208613.db2.gz OBRUZOVDPNGLTI-ZBFHGGJFSA-N 2 2 350.507 0.966 10 0 FCAELP CN(C)C(=O)c1ccnc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000666659280 493212195 /nfs/dbraw/zinc/21/21/95/493212195.db2.gz VMHOYQGSVLCIST-UHFFFAOYSA-N 2 2 350.467 0.788 10 0 FCAELP CN(C)C(=O)c1ccnc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000666659280 493212198 /nfs/dbraw/zinc/21/21/98/493212198.db2.gz VMHOYQGSVLCIST-UHFFFAOYSA-N 2 2 350.467 0.788 10 0 FCAELP C[C@@H]1CC[C@H](C)N(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672639598 493221644 /nfs/dbraw/zinc/22/16/44/493221644.db2.gz MBOAICFPSNKZJI-PMPSAXMXSA-N 2 2 350.507 0.918 10 0 FCAELP C[C@@H]1CC[C@H](C)N(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672639598 493221647 /nfs/dbraw/zinc/22/16/47/493221647.db2.gz MBOAICFPSNKZJI-PMPSAXMXSA-N 2 2 350.507 0.918 10 0 FCAELP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000659681485 493249118 /nfs/dbraw/zinc/24/91/18/493249118.db2.gz XFWCGOJKUIWZBC-UHFFFAOYSA-N 2 2 357.389 0.577 10 0 FCAELP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000659683220 493249694 /nfs/dbraw/zinc/24/96/94/493249694.db2.gz VKCTWUBDXCIDGJ-PMPSAXMXSA-N 2 2 354.495 0.236 10 0 FCAELP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)NCC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000659683516 493250703 /nfs/dbraw/zinc/25/07/03/493250703.db2.gz TUBPSBPSWZDDLP-BTUGKURYSA-N 2 2 353.426 0.494 10 0 FCAELP O=C(N[C@H]1CCn2cc[nH+]c2C1)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659695640 493257628 /nfs/dbraw/zinc/25/76/28/493257628.db2.gz DKBCFKLFNXPPJJ-HOTGVXAUSA-N 2 2 359.474 0.552 10 0 FCAELP C[C@H](CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000659725974 493273516 /nfs/dbraw/zinc/27/35/16/493273516.db2.gz FVMUDTFVPPBNED-SUJAAXHWSA-N 2 2 354.495 0.186 10 0 FCAELP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659740834 493281153 /nfs/dbraw/zinc/28/11/53/493281153.db2.gz PVGSBGAJKATBBO-UHFFFAOYSA-N 2 2 372.469 0.208 10 0 FCAELP Cc1nn(C)c(C)c1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682270006 493283999 /nfs/dbraw/zinc/28/39/99/493283999.db2.gz GKLZNOGKABHVPF-AWEZNQCLSA-N 2 2 362.478 0.260 10 0 FCAELP Cc1nn(C)c(C)c1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682270006 493284001 /nfs/dbraw/zinc/28/40/01/493284001.db2.gz GKLZNOGKABHVPF-AWEZNQCLSA-N 2 2 362.478 0.260 10 0 FCAELP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCN2C(=O)CN(C)C2=O)CC1 ZINC000659862902 493296309 /nfs/dbraw/zinc/29/63/09/493296309.db2.gz FDCUMSYYUBKSJL-HZPDHXFCSA-N 2 2 351.495 0.371 10 0 FCAELP CCN(C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000668542647 493373539 /nfs/dbraw/zinc/37/35/39/493373539.db2.gz ORKYHGOVDCDUOM-INIZCTEOSA-N 2 2 359.474 0.719 10 0 FCAELP CCN(C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000668542647 493373542 /nfs/dbraw/zinc/37/35/42/493373542.db2.gz ORKYHGOVDCDUOM-INIZCTEOSA-N 2 2 359.474 0.719 10 0 FCAELP CC[NH+]1CCC([N@@H+]2CCCN(Cc3coc(S(N)(=O)=O)c3)CC2)CC1 ZINC000660832761 493383523 /nfs/dbraw/zinc/38/35/23/493383523.db2.gz BHXAZAJNUSRAPJ-UHFFFAOYSA-N 2 2 370.519 0.919 10 0 FCAELP CC[NH+]1CCC([N@H+]2CCCN(Cc3coc(S(N)(=O)=O)c3)CC2)CC1 ZINC000660832761 493383524 /nfs/dbraw/zinc/38/35/24/493383524.db2.gz BHXAZAJNUSRAPJ-UHFFFAOYSA-N 2 2 370.519 0.919 10 0 FCAELP C[NH+](C)C[C@@]1(O)CCCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000684174739 493399365 /nfs/dbraw/zinc/39/93/65/493399365.db2.gz MQHSPRZQWPPGKE-IBGZPJMESA-N 2 2 361.490 0.119 10 0 FCAELP O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000684181921 493400187 /nfs/dbraw/zinc/40/01/87/493400187.db2.gz HRFSQUJCXAJVDR-SJORKVTESA-N 2 2 361.465 0.848 10 0 FCAELP CCN(C(=O)C(=O)NCc1[nH+]ccn1CC(F)(F)F)[C@H]1CC[N@H+](C)C1 ZINC000668806727 493414350 /nfs/dbraw/zinc/41/43/50/493414350.db2.gz PTBJHZLEJVPQBS-NSHDSACASA-N 2 2 361.368 0.614 10 0 FCAELP CCN(C(=O)C(=O)NCc1[nH+]ccn1CC(F)(F)F)[C@H]1CC[N@@H+](C)C1 ZINC000668806727 493414354 /nfs/dbraw/zinc/41/43/54/493414354.db2.gz PTBJHZLEJVPQBS-NSHDSACASA-N 2 2 361.368 0.614 10 0 FCAELP CCN(C(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)[C@H]1CC[N@H+](CC)C1 ZINC000668828933 493417890 /nfs/dbraw/zinc/41/78/90/493417890.db2.gz ILVSWHGDDXTJBF-XHSDSOJGSA-N 2 2 354.495 0.155 10 0 FCAELP CCN(C(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)[C@H]1CC[N@@H+](CC)C1 ZINC000668828933 493417893 /nfs/dbraw/zinc/41/78/93/493417893.db2.gz ILVSWHGDDXTJBF-XHSDSOJGSA-N 2 2 354.495 0.155 10 0 FCAELP C[C@@H](NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)c1[nH+]ccn1C ZINC000661304830 493425816 /nfs/dbraw/zinc/42/58/16/493425816.db2.gz GTFGHTWRRNYWBK-CQSZACIVSA-N 2 2 351.451 0.662 10 0 FCAELP C[C@@H]1CN(c2ccc(CNC(=O)NC[C@H]3C[NH2+]CCO3)c[nH+]2)C[C@@H](C)O1 ZINC000669162121 493470875 /nfs/dbraw/zinc/47/08/75/493470875.db2.gz FHJROOSQKSMSPP-IIAWOOMASA-N 2 2 363.462 0.483 10 0 FCAELP O=C(C[N@H+]1CCC(CO)(CO)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000661961322 493479605 /nfs/dbraw/zinc/47/96/05/493479605.db2.gz BIRXILGMBVREEG-UHFFFAOYSA-N 2 2 363.458 0.134 10 0 FCAELP O=C(C[N@@H+]1CCC(CO)(CO)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000661961322 493479607 /nfs/dbraw/zinc/47/96/07/493479607.db2.gz BIRXILGMBVREEG-UHFFFAOYSA-N 2 2 363.458 0.134 10 0 FCAELP CCC[C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)S(N)(=O)=O ZINC000669251849 493483573 /nfs/dbraw/zinc/48/35/73/493483573.db2.gz GWPNIPDVNCCYFI-HNNXBMFYSA-N 2 2 374.551 0.510 10 0 FCAELP O=C(CC[N@@H+]1CCc2nccnc2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000662124138 493490257 /nfs/dbraw/zinc/49/02/57/493490257.db2.gz FWCPXXXQGAZUCM-UHFFFAOYSA-N 2 2 352.442 0.969 10 0 FCAELP O=C(CC[N@H+]1CCc2nccnc2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000662124138 493490260 /nfs/dbraw/zinc/49/02/60/493490260.db2.gz FWCPXXXQGAZUCM-UHFFFAOYSA-N 2 2 352.442 0.969 10 0 FCAELP O=S(=O)(Cc1ccccc1)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662249521 493499789 /nfs/dbraw/zinc/49/97/89/493499789.db2.gz WDYUXTPVSDFPPO-QGZVFWFLSA-N 2 2 365.499 0.655 10 0 FCAELP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000662323909 493506031 /nfs/dbraw/zinc/50/60/31/493506031.db2.gz UGOYDMPQFXYSCU-NVXWUHKLSA-N 2 2 354.495 0.108 10 0 FCAELP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000662323909 493506032 /nfs/dbraw/zinc/50/60/32/493506032.db2.gz UGOYDMPQFXYSCU-NVXWUHKLSA-N 2 2 354.495 0.108 10 0 FCAELP CC[NH+]1CCN(CCNC(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC1 ZINC000685839153 493518858 /nfs/dbraw/zinc/51/88/58/493518858.db2.gz ZJSZIPDOJZZHPL-UHFFFAOYSA-N 2 2 361.490 0.281 10 0 FCAELP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662671368 493531055 /nfs/dbraw/zinc/53/10/55/493531055.db2.gz OIVDCFKNRXDRJM-UHFFFAOYSA-N 2 2 355.446 0.687 10 0 FCAELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000662741175 493536187 /nfs/dbraw/zinc/53/61/87/493536187.db2.gz DDRONUWOKKKPTO-HZPDHXFCSA-N 2 2 352.429 0.916 10 0 FCAELP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000662741175 493536189 /nfs/dbraw/zinc/53/61/89/493536189.db2.gz DDRONUWOKKKPTO-HZPDHXFCSA-N 2 2 352.429 0.916 10 0 FCAELP C[C@H](NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676305666 493543932 /nfs/dbraw/zinc/54/39/32/493543932.db2.gz HYUMNYPOHGNEPZ-ULQDDVLXSA-N 2 2 354.495 0.602 10 0 FCAELP C[C@H](NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676305666 493543935 /nfs/dbraw/zinc/54/39/35/493543935.db2.gz HYUMNYPOHGNEPZ-ULQDDVLXSA-N 2 2 354.495 0.602 10 0 FCAELP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662928622 493554782 /nfs/dbraw/zinc/55/47/82/493554782.db2.gz RJGHFYZYSYLVKB-QGZVFWFLSA-N 2 2 366.506 0.015 10 0 FCAELP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662960990 493561460 /nfs/dbraw/zinc/56/14/60/493561460.db2.gz QBXDVYZFBDJVHU-AEFFLSMTSA-N 2 2 372.469 0.004 10 0 FCAELP O=C(CC[NH+]1CCN(c2ccccc2)CC1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000670408951 493562200 /nfs/dbraw/zinc/56/22/00/493562200.db2.gz AKAARHNZHJHLOL-HXUWFJFHSA-N 2 2 371.529 0.705 10 0 FCAELP O=C(CC[NH+]1CCN(c2ccccc2)CC1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000670408951 493562202 /nfs/dbraw/zinc/56/22/02/493562202.db2.gz AKAARHNZHJHLOL-HXUWFJFHSA-N 2 2 371.529 0.705 10 0 FCAELP C[NH+]1CCN([C@H](C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c2ccccc2)CC1 ZINC000670447000 493568771 /nfs/dbraw/zinc/56/87/71/493568771.db2.gz CCVFRENATXKVOW-UXHICEINSA-N 2 2 371.529 0.481 10 0 FCAELP C[NH+]1CCN([C@H](C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c2ccccc2)CC1 ZINC000670447000 493568774 /nfs/dbraw/zinc/56/87/74/493568774.db2.gz CCVFRENATXKVOW-UXHICEINSA-N 2 2 371.529 0.481 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccc(Cl)o3)C2)CC1 ZINC000670656810 493585344 /nfs/dbraw/zinc/58/53/44/493585344.db2.gz GZRJMQOFAWBAQO-GFCCVEGCSA-N 2 2 368.865 0.834 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccc(Cl)o3)C2)CC1 ZINC000670656810 493585346 /nfs/dbraw/zinc/58/53/46/493585346.db2.gz GZRJMQOFAWBAQO-GFCCVEGCSA-N 2 2 368.865 0.834 10 0 FCAELP O=C1C[C@H]([NH2+]Cc2cn3cccc(F)c3n2)CN1CC[NH+]1CCOCC1 ZINC000677322997 493596454 /nfs/dbraw/zinc/59/64/54/493596454.db2.gz VCXDXBSGQCCZCI-AWEZNQCLSA-N 2 2 361.421 0.496 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)CC2 ZINC000671071672 493629126 /nfs/dbraw/zinc/62/91/26/493629126.db2.gz GCMOCBNZWLNTGK-INIZCTEOSA-N 2 2 351.476 0.087 10 0 FCAELP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000671116557 493638220 /nfs/dbraw/zinc/63/82/20/493638220.db2.gz YMKRPNNLOCSACG-QGZVFWFLSA-N 2 2 371.485 0.767 10 0 FCAELP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000671116557 493638224 /nfs/dbraw/zinc/63/82/24/493638224.db2.gz YMKRPNNLOCSACG-QGZVFWFLSA-N 2 2 371.485 0.767 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@H](Cn4ccnn4)C3)C2)CC1 ZINC000664131088 493638460 /nfs/dbraw/zinc/63/84/60/493638460.db2.gz WCCRIDCLSHYWQP-JKSUJKDBSA-N 2 2 361.494 0.478 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@H](Cn4ccnn4)C3)C2)CC1 ZINC000664131088 493638462 /nfs/dbraw/zinc/63/84/62/493638462.db2.gz WCCRIDCLSHYWQP-JKSUJKDBSA-N 2 2 361.494 0.478 10 0 FCAELP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc4[nH+]ccn4c3)CC2)C1 ZINC000678672721 493653721 /nfs/dbraw/zinc/65/37/21/493653721.db2.gz BUXWXTYDJCWQGT-MRXNPFEDSA-N 2 2 370.457 0.511 10 0 FCAELP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc4[nH+]ccn4c3)CC2)C1 ZINC000678672721 493653722 /nfs/dbraw/zinc/65/37/22/493653722.db2.gz BUXWXTYDJCWQGT-MRXNPFEDSA-N 2 2 370.457 0.511 10 0 FCAELP CN1c2ccccc2C[C@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1=O ZINC000664537733 493666539 /nfs/dbraw/zinc/66/65/39/493666539.db2.gz QSVJJDHXUQZPOK-KRWDZBQOSA-N 2 2 373.501 0.899 10 0 FCAELP O=C(C[N@H+]1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O)NC1CC[NH+](C2CC2)CC1 ZINC000671532320 493681990 /nfs/dbraw/zinc/68/19/90/493681990.db2.gz LNYHJLRZTCIKCX-QRVBRYPASA-N 2 2 365.518 0.981 10 0 FCAELP O=C(C[N@@H+]1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O)NC1CC[NH+](C2CC2)CC1 ZINC000671532320 493681991 /nfs/dbraw/zinc/68/19/91/493681991.db2.gz LNYHJLRZTCIKCX-QRVBRYPASA-N 2 2 365.518 0.981 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)Nc1cnn(-c3cc[nH+]cc3)c1)CC2 ZINC000679911024 493701183 /nfs/dbraw/zinc/70/11/83/493701183.db2.gz AVSNBZILNHPEHI-UHFFFAOYSA-N 2 2 351.370 0.753 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1)[NH+]1CCc2ccccc2C1 ZINC000671933544 493715786 /nfs/dbraw/zinc/71/57/86/493715786.db2.gz AKJWFOZPECKXMY-YJBOKZPZSA-N 2 2 358.486 0.760 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1)[NH+]1CCc2ccccc2C1 ZINC000671933544 493715788 /nfs/dbraw/zinc/71/57/88/493715788.db2.gz AKJWFOZPECKXMY-YJBOKZPZSA-N 2 2 358.486 0.760 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH+](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000671933544 493715790 /nfs/dbraw/zinc/71/57/90/493715790.db2.gz AKJWFOZPECKXMY-YJBOKZPZSA-N 2 2 358.486 0.760 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH+](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000671933544 493715791 /nfs/dbraw/zinc/71/57/91/493715791.db2.gz AKJWFOZPECKXMY-YJBOKZPZSA-N 2 2 358.486 0.760 10 0 FCAELP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000680488460 493719295 /nfs/dbraw/zinc/71/92/95/493719295.db2.gz HOYZYMRANLMKJH-MRXNPFEDSA-N 2 2 361.490 0.285 10 0 FCAELP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000680488460 493719297 /nfs/dbraw/zinc/71/92/97/493719297.db2.gz HOYZYMRANLMKJH-MRXNPFEDSA-N 2 2 361.490 0.285 10 0 FCAELP COC[C@H](CCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)OC ZINC000665516663 493720405 /nfs/dbraw/zinc/72/04/05/493720405.db2.gz RDTMSFPEOPAWEQ-SJORKVTESA-N 2 2 356.511 0.848 10 0 FCAELP COC[C@H](CCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)OC ZINC000665516663 493720408 /nfs/dbraw/zinc/72/04/08/493720408.db2.gz RDTMSFPEOPAWEQ-SJORKVTESA-N 2 2 356.511 0.848 10 0 FCAELP Cc1nnnn1-c1cccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000665534527 493721408 /nfs/dbraw/zinc/72/14/08/493721408.db2.gz VZCQWHVGOMGAAM-UHFFFAOYSA-N 2 2 360.466 0.976 10 0 FCAELP Cc1nnnn1-c1cccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000665534527 493721409 /nfs/dbraw/zinc/72/14/09/493721409.db2.gz VZCQWHVGOMGAAM-UHFFFAOYSA-N 2 2 360.466 0.976 10 0 FCAELP C[C@@H]1C[NH+](CCNc2nccnc2NCC[N@@H+]2CCO[C@H](C)C2)CCO1 ZINC000680954242 493739201 /nfs/dbraw/zinc/73/92/01/493739201.db2.gz HXHOKRJNOIEJGF-HZPDHXFCSA-N 2 2 364.494 0.742 10 0 FCAELP C[C@@H]1C[NH+](CCNc2nccnc2NCC[N@H+]2CCO[C@H](C)C2)CCO1 ZINC000680954242 493739204 /nfs/dbraw/zinc/73/92/04/493739204.db2.gz HXHOKRJNOIEJGF-HZPDHXFCSA-N 2 2 364.494 0.742 10 0 FCAELP C[C@@H](Nc1cncc(N[C@@H](C)[C@H]2C[NH+](C)CCO2)n1)[C@@H]1C[N@H+](C)CCO1 ZINC000672240340 493745205 /nfs/dbraw/zinc/74/52/05/493745205.db2.gz QOWPCEFJVHCRJC-SYMSYNOKSA-N 2 2 364.494 0.739 10 0 FCAELP C[C@@H](Nc1cncc(N[C@@H](C)[C@H]2C[NH+](C)CCO2)n1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672240340 493745207 /nfs/dbraw/zinc/74/52/07/493745207.db2.gz QOWPCEFJVHCRJC-SYMSYNOKSA-N 2 2 364.494 0.739 10 0 FCAELP C[C@@H](Nc1cncc(N[C@@H](C)[C@H]2C[N@H+](C)CCO2)n1)[C@@H]1C[NH+](C)CCO1 ZINC000672240340 493745210 /nfs/dbraw/zinc/74/52/10/493745210.db2.gz QOWPCEFJVHCRJC-SYMSYNOKSA-N 2 2 364.494 0.739 10 0 FCAELP C[C@@H](Nc1cncc(N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)n1)[C@@H]1C[NH+](C)CCO1 ZINC000672240340 493745212 /nfs/dbraw/zinc/74/52/12/493745212.db2.gz QOWPCEFJVHCRJC-SYMSYNOKSA-N 2 2 364.494 0.739 10 0 FCAELP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000666085419 493750789 /nfs/dbraw/zinc/75/07/89/493750789.db2.gz SXORYQLVJPEEOP-LBPRGKRZSA-N 2 2 371.279 0.363 10 0 FCAELP Cc1ccccc1C[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCC[NH+]1CCOCC1 ZINC000020209186 525144288 /nfs/dbraw/zinc/14/42/88/525144288.db2.gz BREYFYOQXBNEJA-GOSISDBHSA-N 2 2 374.485 0.134 10 0 FCAELP Cc1ccccc1C[N@H+]1CCNC(=O)[C@H]1CC(=O)NCC[NH+]1CCOCC1 ZINC000020209186 525144296 /nfs/dbraw/zinc/14/42/96/525144296.db2.gz BREYFYOQXBNEJA-GOSISDBHSA-N 2 2 374.485 0.134 10 0 FCAELP O=C(COC(=O)c1ccc(-c2[nH]cc[nH+]2)cc1)N1CC[NH+](CCO)CC1 ZINC000089202525 526913406 /nfs/dbraw/zinc/91/34/06/526913406.db2.gz IVNOTZCDWYAZMC-UHFFFAOYSA-N 2 2 358.398 0.370 10 0 FCAELP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000410731442 527957911 /nfs/dbraw/zinc/95/79/11/527957911.db2.gz GRJAETJILAUCOR-DLBZAZTESA-N 2 2 368.522 0.497 10 0 FCAELP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000410731442 527957914 /nfs/dbraw/zinc/95/79/14/527957914.db2.gz GRJAETJILAUCOR-DLBZAZTESA-N 2 2 368.522 0.497 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000410789678 528730850 /nfs/dbraw/zinc/73/08/50/528730850.db2.gz HVFOGHUYEOUQIF-IRXDYDNUSA-N 2 2 368.522 0.356 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000410789678 528730854 /nfs/dbraw/zinc/73/08/54/528730854.db2.gz HVFOGHUYEOUQIF-IRXDYDNUSA-N 2 2 368.522 0.356 10 0 FCAELP CCN(C(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC000247196618 528953690 /nfs/dbraw/zinc/95/36/90/528953690.db2.gz WWMZYOBCKAGJNE-HOTGVXAUSA-N 2 2 368.503 0.692 10 0 FCAELP CCN(C(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC000247196618 528953694 /nfs/dbraw/zinc/95/36/94/528953694.db2.gz WWMZYOBCKAGJNE-HOTGVXAUSA-N 2 2 368.503 0.692 10 0 FCAELP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000414818338 535482830 /nfs/dbraw/zinc/48/28/30/535482830.db2.gz VIOKWWOCZMAACY-CABCVRRESA-N 2 2 362.474 0.960 10 0 FCAELP CCN1CC[NH+](CCCCNC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)CC1 ZINC000419430596 535688359 /nfs/dbraw/zinc/68/83/59/535688359.db2.gz WBQNEGFEXOVAFV-MSOLQXFVSA-N 2 2 369.554 0.501 10 0 FCAELP CCN1CC[NH+](CCCCNC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)CC1 ZINC000419430596 535688369 /nfs/dbraw/zinc/68/83/69/535688369.db2.gz WBQNEGFEXOVAFV-MSOLQXFVSA-N 2 2 369.554 0.501 10 0 FCAELP CC[NH+]1CCN(CCCCNC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)CC1 ZINC000419430596 535688375 /nfs/dbraw/zinc/68/83/75/535688375.db2.gz WBQNEGFEXOVAFV-MSOLQXFVSA-N 2 2 369.554 0.501 10 0 FCAELP CC[NH+]1CCN(CCCCNC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)CC1 ZINC000419430596 535688380 /nfs/dbraw/zinc/68/83/80/535688380.db2.gz WBQNEGFEXOVAFV-MSOLQXFVSA-N 2 2 369.554 0.501 10 0 FCAELP CCC[NH+]1CCC(CNC(=O)N(CCO)CC[NH+]2CCOCC2)CC1 ZINC000119858655 546510265 /nfs/dbraw/zinc/51/02/65/546510265.db2.gz HVZBMPCCJOSOIL-UHFFFAOYSA-N 2 2 356.511 0.445 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)CC(=O)N2CCCC2)C1 ZINC000072982493 546539144 /nfs/dbraw/zinc/53/91/44/546539144.db2.gz ZLFTUCFKJZMBQY-MRXNPFEDSA-N 2 2 354.495 0.014 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)CC(=O)N2CCCC2)C1 ZINC000072982493 546539146 /nfs/dbraw/zinc/53/91/46/546539146.db2.gz ZLFTUCFKJZMBQY-MRXNPFEDSA-N 2 2 354.495 0.014 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)CC(=O)N2CCCC2)C1 ZINC000072982493 546539150 /nfs/dbraw/zinc/53/91/50/546539150.db2.gz ZLFTUCFKJZMBQY-MRXNPFEDSA-N 2 2 354.495 0.014 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)CC(=O)N2CCCC2)C1 ZINC000072982493 546539154 /nfs/dbraw/zinc/53/91/54/546539154.db2.gz ZLFTUCFKJZMBQY-MRXNPFEDSA-N 2 2 354.495 0.014 10 0 FCAELP C[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)C1CCN(S(C)(=O)=O)CC1 ZINC000125173691 546540009 /nfs/dbraw/zinc/54/00/09/546540009.db2.gz LUMNSTQLFWOUGJ-GOSISDBHSA-N 2 2 369.531 0.835 10 0 FCAELP C[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)C1CCN(S(C)(=O)=O)CC1 ZINC000125173691 546540015 /nfs/dbraw/zinc/54/00/15/546540015.db2.gz LUMNSTQLFWOUGJ-GOSISDBHSA-N 2 2 369.531 0.835 10 0 FCAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000125173691 546540020 /nfs/dbraw/zinc/54/00/20/546540020.db2.gz LUMNSTQLFWOUGJ-GOSISDBHSA-N 2 2 369.531 0.835 10 0 FCAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000125173691 546540025 /nfs/dbraw/zinc/54/00/25/546540025.db2.gz LUMNSTQLFWOUGJ-GOSISDBHSA-N 2 2 369.531 0.835 10 0 FCAELP COC(=O)c1cc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)c(C)o1 ZINC000594820674 546834862 /nfs/dbraw/zinc/83/48/62/546834862.db2.gz FJUWMCMNZLJAGY-UHFFFAOYSA-N 2 2 361.464 0.536 10 0 FCAELP COC(=O)c1cc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(C)o1 ZINC000594820674 546834863 /nfs/dbraw/zinc/83/48/63/546834863.db2.gz FJUWMCMNZLJAGY-UHFFFAOYSA-N 2 2 361.464 0.536 10 0 FCAELP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC000550692665 547099247 /nfs/dbraw/zinc/09/92/47/547099247.db2.gz ZGUZUFQIIQRIDC-PMPSAXMXSA-N 2 2 354.495 0.012 10 0 FCAELP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC000550692665 547099252 /nfs/dbraw/zinc/09/92/52/547099252.db2.gz ZGUZUFQIIQRIDC-PMPSAXMXSA-N 2 2 354.495 0.012 10 0 FCAELP CO[C@H]1C[C@@H](C[NH+](C)C)N(c2cc(N3CCc4n[nH]cc4C3)[nH+]cn2)C1 ZINC000685942910 571103214 /nfs/dbraw/zinc/10/32/14/571103214.db2.gz SVKIFHVVKHTGIA-GJZGRUSLSA-N 2 2 357.462 0.918 10 0 FCAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CNCCS2(=O)=O)[C@H](C)C1 ZINC000925794235 664816556 /nfs/dbraw/zinc/81/65/56/664816556.db2.gz LWJCNMHHNJGYAD-IKGGRYGDSA-N 2 2 361.552 0.490 10 0 FCAELP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CNCCS2(=O)=O)[C@H](C)C1 ZINC000925794235 664816558 /nfs/dbraw/zinc/81/65/58/664816558.db2.gz LWJCNMHHNJGYAD-IKGGRYGDSA-N 2 2 361.552 0.490 10 0 FCAELP C[NH+](C)CCN1C[C@H](C(=O)NCc2nc(C[NH+](C)C)cs2)CC1=O ZINC000927767158 664907519 /nfs/dbraw/zinc/90/75/19/664907519.db2.gz ANDQPUFPYRBUFL-GFCCVEGCSA-N 2 2 353.492 0.231 10 0 FCAELP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)C1C[NH+](C2CCOCC2)C1 ZINC000895848985 665061597 /nfs/dbraw/zinc/06/15/97/665061597.db2.gz SJPIHYRWCDSJLX-SFHVURJKSA-N 2 2 369.531 0.421 10 0 FCAELP O=C(C1C[NH+](C2CCOCC2)C1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000896741953 665104973 /nfs/dbraw/zinc/10/49/73/665104973.db2.gz IFTBEFVOLLDZPH-SFHVURJKSA-N 2 2 351.491 0.811 10 0 FCAELP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000925174180 665178317 /nfs/dbraw/zinc/17/83/17/665178317.db2.gz ONBRRLFJGVURBF-XUWVNRHRSA-N 2 2 354.520 0.729 10 0 FCAELP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000925174180 665178318 /nfs/dbraw/zinc/17/83/18/665178318.db2.gz ONBRRLFJGVURBF-XUWVNRHRSA-N 2 2 354.520 0.729 10 0 FCAELP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925174180 665178320 /nfs/dbraw/zinc/17/83/20/665178320.db2.gz ONBRRLFJGVURBF-XUWVNRHRSA-N 2 2 354.520 0.729 10 0 FCAELP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000925174180 665178321 /nfs/dbraw/zinc/17/83/21/665178321.db2.gz ONBRRLFJGVURBF-XUWVNRHRSA-N 2 2 354.520 0.729 10 0 FCAELP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000897447701 665288857 /nfs/dbraw/zinc/28/88/57/665288857.db2.gz BJGYVUCABJOKSL-HOTGVXAUSA-N 2 2 350.438 0.755 10 0 FCAELP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000897447701 665288858 /nfs/dbraw/zinc/28/88/58/665288858.db2.gz BJGYVUCABJOKSL-HOTGVXAUSA-N 2 2 350.438 0.755 10 0 FCAELP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000897447697 665288889 /nfs/dbraw/zinc/28/88/89/665288889.db2.gz BJGYVUCABJOKSL-CVEARBPZSA-N 2 2 350.438 0.755 10 0 FCAELP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000897447697 665288890 /nfs/dbraw/zinc/28/88/90/665288890.db2.gz BJGYVUCABJOKSL-CVEARBPZSA-N 2 2 350.438 0.755 10 0 FCAELP O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000913196771 666515786 /nfs/dbraw/zinc/51/57/86/666515786.db2.gz TZVGKFCTWGVJDM-SJLPKXTDSA-N 2 2 367.877 0.772 10 0 FCAELP O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000913196771 666515787 /nfs/dbraw/zinc/51/57/87/666515787.db2.gz TZVGKFCTWGVJDM-SJLPKXTDSA-N 2 2 367.877 0.772 10 0 FCAELP C/C(=C\C(=O)N1CCC([NH+]2CCN(C)CC2)CC1)C[NH+]1CCOCC1 ZINC000913760534 666648354 /nfs/dbraw/zinc/64/83/54/666648354.db2.gz LMDNOVGXBCHHEB-BMRADRMJSA-N 2 2 350.507 0.503 10 0 FCAELP C[C@@H](CNS(=O)(=O)[C@@H]1CCC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000923589349 667852862 /nfs/dbraw/zinc/85/28/62/667852862.db2.gz FZBQIEJEFLATRU-FUHWJXTLSA-N 2 2 366.531 0.869 10 0 FCAELP COc1cc(OC)c(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c(OC)c1 ZINC000818966065 668966000 /nfs/dbraw/zinc/96/60/00/668966000.db2.gz YQYQSVUGYITMHW-AWEZNQCLSA-N 2 2 353.463 0.410 10 0 FCAELP COC(=O)NCCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000836652183 670056134 /nfs/dbraw/zinc/05/61/34/670056134.db2.gz VXFOPWGVDOWYPK-UHFFFAOYSA-N 2 2 355.483 0.592 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC[C@H]1CCSC1 ZINC000867368137 670942687 /nfs/dbraw/zinc/94/26/87/670942687.db2.gz ZTVJNMNNLSYDCH-HNNXBMFYSA-N 2 2 370.563 0.730 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC[C@H]1CCSC1 ZINC000867368137 670942688 /nfs/dbraw/zinc/94/26/88/670942688.db2.gz ZTVJNMNNLSYDCH-HNNXBMFYSA-N 2 2 370.563 0.730 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cnn(C(F)F)c1 ZINC000850571992 671387497 /nfs/dbraw/zinc/38/74/97/671387497.db2.gz GCAABMPEWZUBSS-NSHDSACASA-N 2 2 360.409 0.605 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cnn(C(F)F)c1 ZINC000850571992 671387502 /nfs/dbraw/zinc/38/75/02/671387502.db2.gz GCAABMPEWZUBSS-NSHDSACASA-N 2 2 360.409 0.605 10 0 FCAELP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)Nc1cccnc1Cl)C2 ZINC000903493868 675933372 /nfs/dbraw/zinc/93/33/72/675933372.db2.gz YKCJVLWURQFXNF-USBNGQNGSA-N 2 2 352.822 0.886 10 0 FCAELP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC(=O)Nc1cccnc1Cl)C2 ZINC000903493868 675933374 /nfs/dbraw/zinc/93/33/74/675933374.db2.gz YKCJVLWURQFXNF-USBNGQNGSA-N 2 2 352.822 0.886 10 0 FCAELP CN1C2(CCC2)COC[C@]1(CO)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000858222613 671754032 /nfs/dbraw/zinc/75/40/32/671754032.db2.gz DCAVFZHUNHFVCD-QGZVFWFLSA-N 2 2 354.520 0.910 10 0 FCAELP Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903561232 675944683 /nfs/dbraw/zinc/94/46/83/675944683.db2.gz GVURNJOGBIZICU-IYBDPMFKSA-N 2 2 367.519 0.626 10 0 FCAELP Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903561232 675944687 /nfs/dbraw/zinc/94/46/87/675944687.db2.gz GVURNJOGBIZICU-IYBDPMFKSA-N 2 2 367.519 0.626 10 0 FCAELP O=S(=O)(c1cncc(F)c1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562654 675945276 /nfs/dbraw/zinc/94/52/76/675945276.db2.gz RZIMUYDDUZTYJJ-GASCZTMLSA-N 2 2 354.451 0.810 10 0 FCAELP O=S(=O)(c1cncc(F)c1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562654 675945279 /nfs/dbraw/zinc/94/52/79/675945279.db2.gz RZIMUYDDUZTYJJ-GASCZTMLSA-N 2 2 354.451 0.810 10 0 FCAELP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CCCC[NH+]1CCCC1 ZINC000862644898 672061046 /nfs/dbraw/zinc/06/10/46/672061046.db2.gz SDOMCSPZNPNSKK-IBGZPJMESA-N 2 2 353.507 0.985 10 0 FCAELP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CCCC[NH+]1CCCC1 ZINC000862644898 672061048 /nfs/dbraw/zinc/06/10/48/672061048.db2.gz SDOMCSPZNPNSKK-IBGZPJMESA-N 2 2 353.507 0.985 10 0 FCAELP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000863561075 672139459 /nfs/dbraw/zinc/13/94/59/672139459.db2.gz UHLSWGXPMYVBLB-OLMNPRSZSA-N 2 2 352.479 0.607 10 0 FCAELP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000863561075 672139461 /nfs/dbraw/zinc/13/94/61/672139461.db2.gz UHLSWGXPMYVBLB-OLMNPRSZSA-N 2 2 352.479 0.607 10 0 FCAELP O=C1C[C@H]([NH2+][C@H](C2CCC2)[C@@H]2CCCO2)CN1CC[NH+]1CCOCC1 ZINC000866299072 672267375 /nfs/dbraw/zinc/26/73/75/672267375.db2.gz IASILFPIJDDKLK-JENIJYKNSA-N 2 2 351.491 0.857 10 0 FCAELP Cc1ccsc1CNC(=O)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709889 672290739 /nfs/dbraw/zinc/29/07/39/672290739.db2.gz MQGNJMYMMAYTIF-MCIONIFRSA-N 2 2 364.471 0.540 10 0 FCAELP Cc1ccsc1CNC(=O)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709889 672290742 /nfs/dbraw/zinc/29/07/42/672290742.db2.gz MQGNJMYMMAYTIF-MCIONIFRSA-N 2 2 364.471 0.540 10 0 FCAELP Cn1cc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(Br)n1 ZINC000866711417 672291109 /nfs/dbraw/zinc/29/11/09/672291109.db2.gz KFYRENRYKFZHSF-TUAOUCFPSA-N 2 2 370.251 0.550 10 0 FCAELP Cn1cc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(Br)n1 ZINC000866711417 672291113 /nfs/dbraw/zinc/29/11/13/672291113.db2.gz KFYRENRYKFZHSF-TUAOUCFPSA-N 2 2 370.251 0.550 10 0 FCAELP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)CC1 ZINC000868356992 672395480 /nfs/dbraw/zinc/39/54/80/672395480.db2.gz KXLYOSBMJVMZFX-GOSISDBHSA-N 2 2 354.495 0.001 10 0 FCAELP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1 ZINC000872148090 672594680 /nfs/dbraw/zinc/59/46/80/672594680.db2.gz HRIVVJSLCOVLAP-UHTWSYAYSA-N 2 2 350.385 0.135 10 0 FCAELP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1 ZINC000872148090 672594684 /nfs/dbraw/zinc/59/46/84/672594684.db2.gz HRIVVJSLCOVLAP-UHTWSYAYSA-N 2 2 350.385 0.135 10 0 FCAELP C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)[C@H](C)CO1 ZINC000925174200 673782230 /nfs/dbraw/zinc/78/22/30/673782230.db2.gz BVBYWXCKMLAPJM-FPCVCCKLSA-N 2 2 356.536 0.975 10 0 FCAELP C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)[C@H](C)CO1 ZINC000925174200 673782232 /nfs/dbraw/zinc/78/22/32/673782232.db2.gz BVBYWXCKMLAPJM-FPCVCCKLSA-N 2 2 356.536 0.975 10 0 FCAELP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)[C@H](C)CO1 ZINC000925174200 673782233 /nfs/dbraw/zinc/78/22/33/673782233.db2.gz BVBYWXCKMLAPJM-FPCVCCKLSA-N 2 2 356.536 0.975 10 0 FCAELP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)[C@H](C)CO1 ZINC000925174200 673782234 /nfs/dbraw/zinc/78/22/34/673782234.db2.gz BVBYWXCKMLAPJM-FPCVCCKLSA-N 2 2 356.536 0.975 10 0 FCAELP CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925807833 673805094 /nfs/dbraw/zinc/80/50/94/673805094.db2.gz DKSHPOHBVFCRRH-UONOGXRCSA-N 2 2 351.538 0.802 10 0 FCAELP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000929745357 673974608 /nfs/dbraw/zinc/97/46/08/673974608.db2.gz OIOZKSFOLDYZLH-BPLDGKMQSA-N 2 2 352.504 0.035 10 0 FCAELP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000929745357 673974609 /nfs/dbraw/zinc/97/46/09/673974609.db2.gz OIOZKSFOLDYZLH-BPLDGKMQSA-N 2 2 352.504 0.035 10 0 FCAELP O=C(N[C@@H]1CC[NH+](C2CC2)C1)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000929745357 673974611 /nfs/dbraw/zinc/97/46/11/673974611.db2.gz OIOZKSFOLDYZLH-BPLDGKMQSA-N 2 2 352.504 0.035 10 0 FCAELP C/C(=C/C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)C[NH+]1CCOCC1 ZINC000900725338 675710970 /nfs/dbraw/zinc/71/09/70/675710970.db2.gz JYNUOPBFOZXDRH-DNKLCNGGSA-N 2 2 350.507 0.503 10 0 FCAELP C/C(=C/C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)C[NH+]1CCOCC1 ZINC000900725338 675710973 /nfs/dbraw/zinc/71/09/73/675710973.db2.gz JYNUOPBFOZXDRH-DNKLCNGGSA-N 2 2 350.507 0.503 10 0 FCAELP C[NH+](C)CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)[C@@H]1CCS(=O)(=O)C1 ZINC000900967727 675735865 /nfs/dbraw/zinc/73/58/65/675735865.db2.gz OQKQXFPLOSARPE-OAGGEKHMSA-N 2 2 357.520 0.581 10 0 FCAELP C[NH+](C)CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)[C@@H]1CCS(=O)(=O)C1 ZINC000900967727 675735867 /nfs/dbraw/zinc/73/58/67/675735867.db2.gz OQKQXFPLOSARPE-OAGGEKHMSA-N 2 2 357.520 0.581 10 0 FCAELP Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001266599163 1169807723 /nfs/dbraw/zinc/80/77/23/1169807723.db2.gz AEHVYRSETDLXKN-AAVRWANBSA-N 2 2 371.445 0.729 10 0 FCAELP O=C(C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)NCc1cccnc1 ZINC001266599455 1169809559 /nfs/dbraw/zinc/80/95/59/1169809559.db2.gz LBRVARDAXNSPGI-KLHDSHLOSA-N 2 2 368.441 0.461 10 0 FCAELP O=C(C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)NCc1cccnc1 ZINC001266599455 1169809565 /nfs/dbraw/zinc/80/95/65/1169809565.db2.gz LBRVARDAXNSPGI-KLHDSHLOSA-N 2 2 368.441 0.461 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CCc2[nH+]ccn2C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001719634952 1171102300 /nfs/dbraw/zinc/10/23/00/1171102300.db2.gz AMNZJUURJANDPN-ZBFHGGJFSA-N 2 2 361.490 0.800 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CCc2[nH+]ccn2C)CCN1C(=O)C[N@H+]1CCC[C@@H]1C ZINC001719635824 1171121898 /nfs/dbraw/zinc/12/18/98/1171121898.db2.gz OUHZZOXDLKWYQJ-XHSDSOJGSA-N 2 2 361.490 0.943 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CCc2[nH+]ccn2C)CCN1C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001719635824 1171121911 /nfs/dbraw/zinc/12/19/11/1171121911.db2.gz OUHZZOXDLKWYQJ-XHSDSOJGSA-N 2 2 361.490 0.943 10 0 FCAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CCNC(=O)NC(C)(C)C ZINC001266970980 1171173810 /nfs/dbraw/zinc/17/38/10/1171173810.db2.gz ISMVRYWWYGUONG-MGPQQGTHSA-N 2 2 364.494 0.716 10 0 FCAELP C[NH+](C)C1CCN(CCNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000934165348 1171527308 /nfs/dbraw/zinc/52/73/08/1171527308.db2.gz XQDULHCPBWMOPC-MSOLQXFVSA-N 2 2 368.522 0.008 10 0 FCAELP CCN(C)C(=O)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001267112796 1171825183 /nfs/dbraw/zinc/82/51/83/1171825183.db2.gz XNURAAHVWOMAMN-ARFHVFGLSA-N 2 2 361.490 0.925 10 0 FCAELP CCN(C)C(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001267112796 1171825184 /nfs/dbraw/zinc/82/51/84/1171825184.db2.gz XNURAAHVWOMAMN-ARFHVFGLSA-N 2 2 361.490 0.925 10 0 FCAELP Cc1c[nH+]cn1CC(=O)N1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001719724103 1179783577 /nfs/dbraw/zinc/78/35/77/1179783577.db2.gz BJVJVHFZQRTYOU-GDBMZVCRSA-N 2 2 358.446 0.689 10 0 FCAELP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001719861381 1187862409 /nfs/dbraw/zinc/86/24/09/1187862409.db2.gz ATKYNDYLHFCCDC-DFEOGRTESA-N 2 2 373.501 0.884 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](c2cnn(C)c2)C2(CO)CCC2)CC1 ZINC000647943506 1188149665 /nfs/dbraw/zinc/14/96/65/1188149665.db2.gz PMOYMQWAIPSQPA-NVXWUHKLSA-N 2 2 363.506 0.766 10 0 FCAELP CC(C)C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001482394443 1188396080 /nfs/dbraw/zinc/39/60/80/1188396080.db2.gz ZQBWVOPKMKGEGV-ARFHVFGLSA-N 2 2 361.490 0.876 10 0 FCAELP CCNC(=O)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001270991480 1189469849 /nfs/dbraw/zinc/46/98/49/1189469849.db2.gz ORIFMQRWCITYIH-CLCXKQKWSA-N 2 2 361.490 0.878 10 0 FCAELP CCNC(=O)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001270991480 1189469852 /nfs/dbraw/zinc/46/98/52/1189469852.db2.gz ORIFMQRWCITYIH-CLCXKQKWSA-N 2 2 361.490 0.878 10 0 FCAELP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000897345113 1190719785 /nfs/dbraw/zinc/71/97/85/1190719785.db2.gz GPQLKTHIWMPNLE-DOTOQJQBSA-N 2 2 362.474 0.625 10 0 FCAELP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000897345113 1190719788 /nfs/dbraw/zinc/71/97/88/1190719788.db2.gz GPQLKTHIWMPNLE-DOTOQJQBSA-N 2 2 362.474 0.625 10 0 FCAELP CCCC[C@@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2C1 ZINC001271860616 1190734357 /nfs/dbraw/zinc/73/43/57/1190734357.db2.gz NVHYQKMLECBKPU-YCCFLXJFSA-N 2 2 359.474 0.948 10 0 FCAELP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2C1 ZINC001271860616 1190734360 /nfs/dbraw/zinc/73/43/60/1190734360.db2.gz NVHYQKMLECBKPU-YCCFLXJFSA-N 2 2 359.474 0.948 10 0 FCAELP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2C1 ZINC001271860616 1190734367 /nfs/dbraw/zinc/73/43/67/1190734367.db2.gz NVHYQKMLECBKPU-YCCFLXJFSA-N 2 2 359.474 0.948 10 0 FCAELP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000897468343 1191200926 /nfs/dbraw/zinc/20/09/26/1191200926.db2.gz PFIPADAOUKLSCZ-GOSISDBHSA-N 2 2 373.501 0.135 10 0 FCAELP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000897468343 1191200928 /nfs/dbraw/zinc/20/09/28/1191200928.db2.gz PFIPADAOUKLSCZ-GOSISDBHSA-N 2 2 373.501 0.135 10 0 FCAELP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(C[NH+](C)C)CC1 ZINC001719921175 1191214232 /nfs/dbraw/zinc/21/42/32/1191214232.db2.gz SDCUKYRPPZLQLK-OAGGEKHMSA-N 2 2 373.501 0.943 10 0 FCAELP CC1=CC[N@H+](CCNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000550664627 1193728689 /nfs/dbraw/zinc/72/86/89/1193728689.db2.gz WASVPJIODOPPDI-KRWDZBQOSA-N 2 2 366.506 0.228 10 0 FCAELP CC1=CC[N@@H+](CCNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000550664627 1193728692 /nfs/dbraw/zinc/72/86/92/1193728692.db2.gz WASVPJIODOPPDI-KRWDZBQOSA-N 2 2 366.506 0.228 10 0 FCAELP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000898548928 1194042839 /nfs/dbraw/zinc/04/28/39/1194042839.db2.gz UBLNNBRCWNVWJR-IAGOWNOFSA-N 2 2 355.442 0.951 10 0 FCAELP C[N@H+]1CCC[C@@H](NC(=O)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000898548928 1194042843 /nfs/dbraw/zinc/04/28/43/1194042843.db2.gz UBLNNBRCWNVWJR-IAGOWNOFSA-N 2 2 355.442 0.951 10 0 FCAELP C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000898625309 1194054493 /nfs/dbraw/zinc/05/44/93/1194054493.db2.gz GLVDIJAJJIZIBV-LMSBXDPUSA-N 2 2 364.534 0.879 10 0 FCAELP C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000898625309 1194054497 /nfs/dbraw/zinc/05/44/97/1194054497.db2.gz GLVDIJAJJIZIBV-LMSBXDPUSA-N 2 2 364.534 0.879 10 0 FCAELP C[N@@H+]1CCC[C@](O)(CC(=O)Nc2ccc3c(c2)C[NH+](CC(N)=O)CC3)C1 ZINC000907835252 1195714322 /nfs/dbraw/zinc/71/43/22/1195714322.db2.gz FSBHKNSGIUOOGC-IBGZPJMESA-N 2 2 360.458 0.315 10 0 FCAELP C[N@H+]1CCC[C@](O)(CC(=O)Nc2ccc3c(c2)C[NH+](CC(N)=O)CC3)C1 ZINC000907835252 1195714328 /nfs/dbraw/zinc/71/43/28/1195714328.db2.gz FSBHKNSGIUOOGC-IBGZPJMESA-N 2 2 360.458 0.315 10 0 FCAELP C[NH+]1CCC[C@](O)(CC(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)C1 ZINC000907835252 1195714335 /nfs/dbraw/zinc/71/43/35/1195714335.db2.gz FSBHKNSGIUOOGC-IBGZPJMESA-N 2 2 360.458 0.315 10 0 FCAELP C[NH+]1CCC[C@](O)(CC(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)C1 ZINC000907835252 1195714342 /nfs/dbraw/zinc/71/43/42/1195714342.db2.gz FSBHKNSGIUOOGC-IBGZPJMESA-N 2 2 360.458 0.315 10 0 FCAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@@]3(O)CCC[NH+](C)C3)CC2)CC1 ZINC000911190530 1195906987 /nfs/dbraw/zinc/90/69/87/1195906987.db2.gz KCTJANUFJKAODS-FQEVSTJZSA-N 3 2 366.550 0.852 10 0 FCAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@@]3(O)CCC[NH+](C)C3)CC2)CC1 ZINC000911190530 1195906991 /nfs/dbraw/zinc/90/69/91/1195906991.db2.gz KCTJANUFJKAODS-FQEVSTJZSA-N 3 2 366.550 0.852 10 0 FCAELP CC[NH+]1CCC([NH+]2CCCN(C(=O)C[C@@]3(O)CCC[N@H+](C)C3)CC2)CC1 ZINC000911190530 1195906995 /nfs/dbraw/zinc/90/69/95/1195906995.db2.gz KCTJANUFJKAODS-FQEVSTJZSA-N 3 2 366.550 0.852 10 0 FCAELP CC[NH+]1CCC([NH+]2CCCN(C(=O)C[C@@]3(O)CCC[N@@H+](C)C3)CC2)CC1 ZINC000911190530 1195907002 /nfs/dbraw/zinc/90/70/02/1195907002.db2.gz KCTJANUFJKAODS-FQEVSTJZSA-N 3 2 366.550 0.852 10 0 FCAELP C[C@@H](C(=O)N(C)CC[N@H+](C)CCO)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000912606669 1196352813 /nfs/dbraw/zinc/35/28/13/1196352813.db2.gz JRKOHOQKCWCJAY-INIZCTEOSA-N 2 2 366.481 0.719 10 0 FCAELP C[C@@H](C(=O)N(C)CC[N@@H+](C)CCO)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000912606669 1196352821 /nfs/dbraw/zinc/35/28/21/1196352821.db2.gz JRKOHOQKCWCJAY-INIZCTEOSA-N 2 2 366.481 0.719 10 0 FCAELP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000912723445 1196360615 /nfs/dbraw/zinc/36/06/15/1196360615.db2.gz GVNCWFVDUGTTDR-FPOVZHCZSA-N 2 2 374.529 0.766 10 0 FCAELP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000912723445 1196360618 /nfs/dbraw/zinc/36/06/18/1196360618.db2.gz GVNCWFVDUGTTDR-FPOVZHCZSA-N 2 2 374.529 0.766 10 0 FCAELP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000912723447 1196361562 /nfs/dbraw/zinc/36/15/62/1196361562.db2.gz GVNCWFVDUGTTDR-TZIWHRDSSA-N 2 2 374.529 0.766 10 0 FCAELP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000912723447 1196361565 /nfs/dbraw/zinc/36/15/65/1196361565.db2.gz GVNCWFVDUGTTDR-TZIWHRDSSA-N 2 2 374.529 0.766 10 0 FCAELP C[NH+](C)CCN1CC[N@H+](CCC(=O)NC(=O)Nc2ccccc2)CC1=O ZINC000593050947 1196606083 /nfs/dbraw/zinc/60/60/83/1196606083.db2.gz JAAFUKDDFAWCKV-UHFFFAOYSA-N 2 2 361.446 0.431 10 0 FCAELP C[NH+](C)CCN1CC[N@@H+](CCC(=O)NC(=O)Nc2ccccc2)CC1=O ZINC000593050947 1196606086 /nfs/dbraw/zinc/60/60/86/1196606086.db2.gz JAAFUKDDFAWCKV-UHFFFAOYSA-N 2 2 361.446 0.431 10 0 FCAELP CN(C[C@@H](O)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1)C(=O)OC(C)(C)C ZINC000822751108 1203235817 /nfs/dbraw/zinc/23/58/17/1203235817.db2.gz SWFBTSCUNNLUIN-DLBZAZTESA-N 2 2 370.538 0.926 10 0 FCAELP CN(C[C@@H](O)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1)C(=O)OC(C)(C)C ZINC000822751108 1203235821 /nfs/dbraw/zinc/23/58/21/1203235821.db2.gz SWFBTSCUNNLUIN-DLBZAZTESA-N 2 2 370.538 0.926 10 0 FCAELP CN(C[C@@H](O)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C(=O)OC(C)(C)C ZINC000822751109 1203236089 /nfs/dbraw/zinc/23/60/89/1203236089.db2.gz SWFBTSCUNNLUIN-IAGOWNOFSA-N 2 2 370.538 0.926 10 0 FCAELP CN(C[C@@H](O)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C(=O)OC(C)(C)C ZINC000822751109 1203236093 /nfs/dbraw/zinc/23/60/93/1203236093.db2.gz SWFBTSCUNNLUIN-IAGOWNOFSA-N 2 2 370.538 0.926 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCC[C@@]3(C)NC(=O)NC3=O)C2)CC1 ZINC001136725759 1203259504 /nfs/dbraw/zinc/25/95/04/1203259504.db2.gz AAAIKTSZNUADHB-FZKQIMNGSA-N 2 2 365.478 0.040 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCC[C@@]3(C)NC(=O)NC3=O)C2)CC1 ZINC001136725759 1203259508 /nfs/dbraw/zinc/25/95/08/1203259508.db2.gz AAAIKTSZNUADHB-FZKQIMNGSA-N 2 2 365.478 0.040 10 0 FCAELP C[C@@H]1[C@H](C(=O)N(C)CCCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1C ZINC001687521318 1206411488 /nfs/dbraw/zinc/41/14/88/1206411488.db2.gz XXPRSAWGTGVNSE-BZUAXINKSA-N 2 2 361.490 0.750 10 0 FCAELP C[C@@H]1[C@H](C(=O)N(C)CCCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[N@H+]1C ZINC001687521318 1206411489 /nfs/dbraw/zinc/41/14/89/1206411489.db2.gz XXPRSAWGTGVNSE-BZUAXINKSA-N 2 2 361.490 0.750 10 0 FCAELP C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccnn1C ZINC000867368084 1208434118 /nfs/dbraw/zinc/43/41/18/1208434118.db2.gz YHRXAOMKXRNVPU-AWEZNQCLSA-N 2 2 364.494 0.082 10 0 FCAELP C[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccnn1C ZINC000867368084 1208434121 /nfs/dbraw/zinc/43/41/21/1208434121.db2.gz YHRXAOMKXRNVPU-AWEZNQCLSA-N 2 2 364.494 0.082 10 0 FCAELP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001488960582 1208574583 /nfs/dbraw/zinc/57/45/83/1208574583.db2.gz KPFDRBRTWPEITE-UXLLHSPISA-N 2 2 360.462 0.095 10 0 FCAELP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CCc1cnn(C)c1 ZINC001489016745 1208608159 /nfs/dbraw/zinc/60/81/59/1208608159.db2.gz HPGHCQIUTSQKDR-HZPDHXFCSA-N 2 2 360.462 0.382 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC[NH+]1CC(=O)N(C)CC1CC1 ZINC001489291147 1208721777 /nfs/dbraw/zinc/72/17/77/1208721777.db2.gz IDYGPGTXYVIPFI-UXLLHSPISA-N 2 2 350.507 0.776 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC[NH+]1CC(=O)N(C)CC1CC1 ZINC001489291147 1208721780 /nfs/dbraw/zinc/72/17/80/1208721780.db2.gz IDYGPGTXYVIPFI-UXLLHSPISA-N 2 2 350.507 0.776 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@@H+]1CC(=O)N(C)CC1CC1 ZINC001489291147 1208721788 /nfs/dbraw/zinc/72/17/88/1208721788.db2.gz IDYGPGTXYVIPFI-UXLLHSPISA-N 2 2 350.507 0.776 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@H+]1CC(=O)N(C)CC1CC1 ZINC001489291147 1208721794 /nfs/dbraw/zinc/72/17/94/1208721794.db2.gz IDYGPGTXYVIPFI-UXLLHSPISA-N 2 2 350.507 0.776 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CC(=O)NC1CCOCC1 ZINC001489272666 1208750184 /nfs/dbraw/zinc/75/01/84/1208750184.db2.gz ZGVISPFFWPGJGT-ZBFHGGJFSA-N 2 2 366.506 0.345 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1CC(=O)NC1CCOCC1 ZINC001489272666 1208750188 /nfs/dbraw/zinc/75/01/88/1208750188.db2.gz ZGVISPFFWPGJGT-ZBFHGGJFSA-N 2 2 366.506 0.345 10 0 FCAELP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CC2(CS(C)(=O)=O)CC2)[C@@H]1C ZINC001489278450 1208756424 /nfs/dbraw/zinc/75/64/24/1208756424.db2.gz PZPKVFNKROWDEL-CABCVRRESA-N 2 2 368.503 0.595 10 0 FCAELP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CC2(CS(C)(=O)=O)CC2)[C@@H]1C ZINC001489278450 1208756429 /nfs/dbraw/zinc/75/64/29/1208756429.db2.gz PZPKVFNKROWDEL-CABCVRRESA-N 2 2 368.503 0.595 10 0 FCAELP CC[NH+](CC)CC(=O)N[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H]1C ZINC001490094781 1209253096 /nfs/dbraw/zinc/25/30/96/1209253096.db2.gz ILIYFYBJTCHWLT-VYDXJSESSA-N 2 2 361.490 0.893 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[N@H+](C)C[C@@H]1CCc2ncnn21 ZINC001490251776 1209286287 /nfs/dbraw/zinc/28/62/87/1209286287.db2.gz WPDNQZCVRSRJTG-RRFJBIMHSA-N 2 2 357.462 0.741 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[N@@H+](C)C[C@@H]1CCc2ncnn21 ZINC001490251776 1209286294 /nfs/dbraw/zinc/28/62/94/1209286294.db2.gz WPDNQZCVRSRJTG-RRFJBIMHSA-N 2 2 357.462 0.741 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)[C@H](C)C2)CC[N@@H+]1C ZINC001490351739 1209310331 /nfs/dbraw/zinc/31/03/31/1209310331.db2.gz JRIAJCQVNIZSFQ-LVQVYYBASA-N 2 2 361.490 0.893 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)[C@H](C)C2)CC[N@H+]1C ZINC001490351739 1209310336 /nfs/dbraw/zinc/31/03/36/1209310336.db2.gz JRIAJCQVNIZSFQ-LVQVYYBASA-N 2 2 361.490 0.893 10 0 FCAELP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001490327758 1209319736 /nfs/dbraw/zinc/31/97/36/1209319736.db2.gz WWIWJVZLSCEWBL-OAGGEKHMSA-N 2 2 367.469 0.774 10 0 FCAELP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)C[C@@H]1C ZINC000850683287 1209481326 /nfs/dbraw/zinc/48/13/26/1209481326.db2.gz RHAKFZLQXNSVCJ-OWCLPIDISA-N 2 2 368.522 0.543 10 0 FCAELP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)C[C@@H]1C ZINC000850683287 1209481328 /nfs/dbraw/zinc/48/13/28/1209481328.db2.gz RHAKFZLQXNSVCJ-OWCLPIDISA-N 2 2 368.522 0.543 10 0 FCAELP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)C[C@@H]1C ZINC000850683287 1209481331 /nfs/dbraw/zinc/48/13/31/1209481331.db2.gz RHAKFZLQXNSVCJ-OWCLPIDISA-N 2 2 368.522 0.543 10 0 FCAELP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)C[C@@H]1C ZINC000850683287 1209481333 /nfs/dbraw/zinc/48/13/33/1209481333.db2.gz RHAKFZLQXNSVCJ-OWCLPIDISA-N 2 2 368.522 0.543 10 0 FCAELP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000851685060 1209512218 /nfs/dbraw/zinc/51/22/18/1209512218.db2.gz MAHCEELCZXXONJ-ZIAGYGMSSA-N 2 2 360.393 0.090 10 0 FCAELP COC(=O)N(C)CCN(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000852058716 1209530538 /nfs/dbraw/zinc/53/05/38/1209530538.db2.gz KSRFHKUKOIFGQX-UHFFFAOYSA-N 2 2 369.510 0.885 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC3=C(CCC(=O)N3)C2)C1 ZINC000852301252 1209542732 /nfs/dbraw/zinc/54/27/32/1209542732.db2.gz JMYINGUHMGBPTF-MRXNPFEDSA-N 2 2 364.490 0.329 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC3=C(CCC(=O)N3)C2)C1 ZINC000852301252 1209542740 /nfs/dbraw/zinc/54/27/40/1209542740.db2.gz JMYINGUHMGBPTF-MRXNPFEDSA-N 2 2 364.490 0.329 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC3=C(CCC(=O)N3)C2)C1 ZINC000852301252 1209542748 /nfs/dbraw/zinc/54/27/48/1209542748.db2.gz JMYINGUHMGBPTF-MRXNPFEDSA-N 2 2 364.490 0.329 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC3=C(CCC(=O)N3)C2)C1 ZINC000852301252 1209542757 /nfs/dbraw/zinc/54/27/57/1209542757.db2.gz JMYINGUHMGBPTF-MRXNPFEDSA-N 2 2 364.490 0.329 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)N[C@@H](C[C@@H]4CCCOC4)C3=O)C2)CC1 ZINC000863504221 1209943645 /nfs/dbraw/zinc/94/36/45/1209943645.db2.gz FPPKXMIAPPHDCC-XIRDDKMYSA-N 2 2 364.490 0.892 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)N[C@@H](C[C@@H]4CCCOC4)C3=O)C2)CC1 ZINC000863504221 1209943647 /nfs/dbraw/zinc/94/36/47/1209943647.db2.gz FPPKXMIAPPHDCC-XIRDDKMYSA-N 2 2 364.490 0.892 10 0 FCAELP Nc1nc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)nc2ccccc12 ZINC000863549243 1209944735 /nfs/dbraw/zinc/94/47/35/1209944735.db2.gz FAFFGHUFWWXBDH-CVEARBPZSA-N 2 2 368.441 0.969 10 0 FCAELP COCc1ccccc1CNC(=O)CN1C[C@@H](c2c[nH+]cn2C)[C@H]([NH3+])C1 ZINC000864304025 1209957473 /nfs/dbraw/zinc/95/74/73/1209957473.db2.gz MYGFZSOSGJUYBC-IAGOWNOFSA-N 2 2 357.458 0.609 10 0 FCAELP CC(=O)NCC1CCC([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000865472255 1209979541 /nfs/dbraw/zinc/97/95/41/1209979541.db2.gz VWYMUYLQHTWRIW-ABHNRTSZSA-N 2 2 366.506 0.204 10 0 FCAELP COc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709636 1210002644 /nfs/dbraw/zinc/00/26/44/1210002644.db2.gz SWOTXJWXAKKBFM-INMHGKMJSA-N 2 2 374.441 0.178 10 0 FCAELP COc1ccccc1CNC(=O)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709636 1210002649 /nfs/dbraw/zinc/00/26/49/1210002649.db2.gz SWOTXJWXAKKBFM-INMHGKMJSA-N 2 2 374.441 0.178 10 0 FCAELP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)CC[C@H]21 ZINC000867518735 1210010448 /nfs/dbraw/zinc/01/04/48/1210010448.db2.gz YVMVBKUVANQIIO-DJIMGWMZSA-N 2 2 358.442 0.614 10 0 FCAELP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)CC[C@H]21 ZINC000867518735 1210010455 /nfs/dbraw/zinc/01/04/55/1210010455.db2.gz YVMVBKUVANQIIO-DJIMGWMZSA-N 2 2 358.442 0.614 10 0 FCAELP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)CC[C@@H]21 ZINC000867518737 1210011025 /nfs/dbraw/zinc/01/10/25/1210011025.db2.gz YVMVBKUVANQIIO-OIISXLGYSA-N 2 2 358.442 0.614 10 0 FCAELP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)CC[C@@H]21 ZINC000867518737 1210011029 /nfs/dbraw/zinc/01/10/29/1210011029.db2.gz YVMVBKUVANQIIO-OIISXLGYSA-N 2 2 358.442 0.614 10 0 FCAELP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C[C@H]1C(F)(F)F ZINC000872188445 1210176214 /nfs/dbraw/zinc/17/62/14/1210176214.db2.gz VYGWMJJKHCLZDD-IJLUTSLNSA-N 2 2 373.379 0.711 10 0 FCAELP C[N@@H+]1CC[C@](O)(CNC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000545176941 1211414451 /nfs/dbraw/zinc/41/44/51/1211414451.db2.gz XDOKWZIZCPVWID-IBGZPJMESA-N 3 2 367.538 0.303 10 0 FCAELP C[N@H+]1CC[C@](O)(CNC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000545176941 1211414453 /nfs/dbraw/zinc/41/44/53/1211414453.db2.gz XDOKWZIZCPVWID-IBGZPJMESA-N 3 2 367.538 0.303 10 0 FCAELP C[N@@H+]1CC[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCn2cc[nH+]c2)C3)C1 ZINC001490825039 1211417465 /nfs/dbraw/zinc/41/74/65/1211417465.db2.gz QKABRPYZCXWDDM-HZMVEIRTSA-N 2 2 359.474 0.863 10 0 FCAELP C[N@H+]1CC[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCn2cc[nH+]c2)C3)C1 ZINC001490825039 1211417468 /nfs/dbraw/zinc/41/74/68/1211417468.db2.gz QKABRPYZCXWDDM-HZMVEIRTSA-N 2 2 359.474 0.863 10 0 FCAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC3CC(CC(N)=O)C3)CC2)CC1 ZINC000925079583 1211490118 /nfs/dbraw/zinc/49/01/18/1211490118.db2.gz LISQGGAEVHXUCD-UHFFFAOYSA-N 2 2 365.522 0.842 10 0 FCAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC3CC(CC(N)=O)C3)CC2)CC1 ZINC000925079583 1211490121 /nfs/dbraw/zinc/49/01/21/1211490121.db2.gz LISQGGAEVHXUCD-UHFFFAOYSA-N 2 2 365.522 0.842 10 0 FCAELP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000925618794 1211505260 /nfs/dbraw/zinc/50/52/60/1211505260.db2.gz YBJPLKKCWUXYPZ-KZNAEPCWSA-N 3 2 369.554 0.478 10 0 FCAELP C[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1N=NC(=O)N1C ZINC000926148814 1211518776 /nfs/dbraw/zinc/51/87/76/1211518776.db2.gz UAFKPSPHKLEMFO-TZMCWYRMSA-N 2 2 365.482 0.392 10 0 FCAELP C[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1N=NC(=O)N1C ZINC000926148814 1211518784 /nfs/dbraw/zinc/51/87/84/1211518784.db2.gz UAFKPSPHKLEMFO-TZMCWYRMSA-N 2 2 365.482 0.392 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)CC[C@@H]1C[NH3+] ZINC000926390292 1211544591 /nfs/dbraw/zinc/54/45/91/1211544591.db2.gz YKOYNIGAPZEPTG-BHIYHBOVSA-N 2 2 372.513 0.815 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)CC[C@@H]1C[NH3+] ZINC000926390292 1211544596 /nfs/dbraw/zinc/54/45/96/1211544596.db2.gz YKOYNIGAPZEPTG-BHIYHBOVSA-N 2 2 372.513 0.815 10 0 FCAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCC[C@H]3CNC(=O)C3)CC2)CC1 ZINC000926986189 1211562618 /nfs/dbraw/zinc/56/26/18/1211562618.db2.gz HIXVIQQSFCKMQY-MRXNPFEDSA-N 2 2 365.522 0.714 10 0 FCAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCC[C@H]3CNC(=O)C3)CC2)CC1 ZINC000926986189 1211562624 /nfs/dbraw/zinc/56/26/24/1211562624.db2.gz HIXVIQQSFCKMQY-MRXNPFEDSA-N 2 2 365.522 0.714 10 0 FCAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000927817132 1211583493 /nfs/dbraw/zinc/58/34/93/1211583493.db2.gz YXUWQRWODPPUMM-OCCSQVGLSA-N 2 2 361.446 0.137 10 0 FCAELP CCO[C@H](CNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)C[NH+](C)C ZINC000929766715 1211658812 /nfs/dbraw/zinc/65/88/12/1211658812.db2.gz AEVBSOQGAGUJRU-QGZVFWFLSA-N 2 2 373.457 0.571 10 0 FCAELP C[C@H]1CN(C(=O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)CC(C)(C)O1 ZINC000930169034 1211693075 /nfs/dbraw/zinc/69/30/75/1211693075.db2.gz SIFFCCBNHOZVOG-INIZCTEOSA-N 2 2 369.506 0.171 10 0 FCAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCC[N@@H+]1C ZINC001490845793 1212190558 /nfs/dbraw/zinc/19/05/58/1212190558.db2.gz GJICOEKTTPHVKB-MXASKKJJSA-N 2 2 359.474 0.695 10 0 FCAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCC[N@H+]1C ZINC001490845793 1212190561 /nfs/dbraw/zinc/19/05/61/1212190561.db2.gz GJICOEKTTPHVKB-MXASKKJJSA-N 2 2 359.474 0.695 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CON=C(N)C[NH+]2CCCCC2)C1 ZINC000902655962 1218300704 /nfs/dbraw/zinc/30/07/04/1218300704.db2.gz ATKWQTDPLLBNJU-MRXNPFEDSA-N 2 2 369.510 0.444 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CON=C(N)C[NH+]2CCCCC2)C1 ZINC000902655962 1218300711 /nfs/dbraw/zinc/30/07/11/1218300711.db2.gz ATKWQTDPLLBNJU-MRXNPFEDSA-N 2 2 369.510 0.444 10 0 FCAELP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC[C@H]1C(F)(F)F ZINC000903726782 1218509218 /nfs/dbraw/zinc/50/92/18/1218509218.db2.gz PFQCILUSPVIBFC-QJPTWQEYSA-N 2 2 373.379 0.854 10 0 FCAELP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903758422 1218518163 /nfs/dbraw/zinc/51/81/63/1218518163.db2.gz HRLWWRLDICZSBW-IJLUTSLNSA-N 2 2 373.379 0.474 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC3(COC(=O)N3)CC2)C1 ZINC000784454210 1221243441 /nfs/dbraw/zinc/24/34/41/1221243441.db2.gz LVEGVDWLONXJDJ-HNNXBMFYSA-N 2 2 368.478 0.034 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC3(COC(=O)N3)CC2)C1 ZINC000784454210 1221243445 /nfs/dbraw/zinc/24/34/45/1221243445.db2.gz LVEGVDWLONXJDJ-HNNXBMFYSA-N 2 2 368.478 0.034 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CC[C@@H]1C[NH3+] ZINC001119703249 1221953084 /nfs/dbraw/zinc/95/30/84/1221953084.db2.gz MXMVVQJIWNFEDK-BZUAXINKSA-N 2 2 361.490 0.645 10 0 FCAELP C[N@H+](C[C@@H](O)C1(O)CCOCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001119749207 1221963642 /nfs/dbraw/zinc/96/36/42/1221963642.db2.gz MTEJQIQGYRUREU-RTBURBONSA-N 2 2 364.486 0.458 10 0 FCAELP C[N@@H+](C[C@@H](O)C1(O)CCOCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001119749207 1221963646 /nfs/dbraw/zinc/96/36/46/1221963646.db2.gz MTEJQIQGYRUREU-RTBURBONSA-N 2 2 364.486 0.458 10 0 FCAELP C[NH+](C[C@@H](O)C1(O)CCOCC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001119749207 1221963651 /nfs/dbraw/zinc/96/36/51/1221963651.db2.gz MTEJQIQGYRUREU-RTBURBONSA-N 2 2 364.486 0.458 10 0 FCAELP C[NH+](C[C@@H](O)C1(O)CCOCC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001119749207 1221963655 /nfs/dbraw/zinc/96/36/55/1221963655.db2.gz MTEJQIQGYRUREU-RTBURBONSA-N 2 2 364.486 0.458 10 0 FCAELP Cn1nccc1[C@@H]1NC(=O)N(C2CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC000843306962 1222869468 /nfs/dbraw/zinc/86/94/68/1222869468.db2.gz LUMZVGJGPRMCFP-INIZCTEOSA-N 2 2 360.462 0.572 10 0 FCAELP C[C@H](CNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848613778 1245375450 /nfs/dbraw/zinc/37/54/50/1245375450.db2.gz LBFDIBWRYYUUDM-OAFZBRQQSA-N 2 2 366.506 0.202 10 0 FCAELP C[C@H](CNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848613778 1245375455 /nfs/dbraw/zinc/37/54/55/1245375455.db2.gz LBFDIBWRYYUUDM-OAFZBRQQSA-N 2 2 366.506 0.202 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@@H+]1C ZINC000915543630 1245524015 /nfs/dbraw/zinc/52/40/15/1245524015.db2.gz YEQPFTDSKVOMCQ-CVEARBPZSA-N 2 2 374.489 0.512 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@H+]1C ZINC000915543630 1245524024 /nfs/dbraw/zinc/52/40/24/1245524024.db2.gz YEQPFTDSKVOMCQ-CVEARBPZSA-N 2 2 374.489 0.512 10 0 FCAELP C[NH+]1CCC(CNC(=O)NCC[C@H]2CNC(=O)C2)([NH+]2CCCCC2)CC1 ZINC000920605274 1245626735 /nfs/dbraw/zinc/62/67/35/1245626735.db2.gz YKWVBEGUMXVWKF-MRXNPFEDSA-N 2 2 365.522 0.762 10 0 FCAELP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001515166630 1265450218 /nfs/dbraw/zinc/45/02/18/1265450218.db2.gz LWRLUBAVPTYIJU-OWCLPIDISA-N 2 2 361.490 0.706 10 0 FCAELP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001515166630 1265450223 /nfs/dbraw/zinc/45/02/23/1265450223.db2.gz LWRLUBAVPTYIJU-OWCLPIDISA-N 2 2 361.490 0.706 10 0 FCAELP Cc1cc(C)c(CNC(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c[nH+]1 ZINC001328498898 1265564132 /nfs/dbraw/zinc/56/41/32/1265564132.db2.gz HLXXDEBCBDPIRX-QGZVFWFLSA-N 2 2 362.474 0.884 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC(C[NH2+]CCN2CCCC2=O)C1 ZINC001328915369 1265650378 /nfs/dbraw/zinc/65/03/78/1265650378.db2.gz KJWCPMHKLFKTIG-QDIHITRGSA-N 2 2 359.474 0.630 10 0 FCAELP Cn1cc[nH+]c1Cc1nnc(N2CC[NH+](C3CC3)CC2)n1C[C@@H]1CCOC1 ZINC001519771214 1265770211 /nfs/dbraw/zinc/77/02/11/1265770211.db2.gz DNLARNSBONCYCK-HNNXBMFYSA-N 2 2 371.489 0.923 10 0 FCAELP [NH3+]CCc1ccccc1C(=O)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC001329757851 1265834392 /nfs/dbraw/zinc/83/43/92/1265834392.db2.gz CSAGQEVCSWDGRS-UHFFFAOYSA-N 2 2 354.458 0.902 10 0 FCAELP CC[N@H+](C)CCC(=O)N1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@]2(C)C1 ZINC001521692746 1266165599 /nfs/dbraw/zinc/16/55/99/1266165599.db2.gz QERFSTHHKKWBAF-QFBILLFUSA-N 2 2 361.490 0.922 10 0 FCAELP CC[N@@H+](C)CCC(=O)N1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@]2(C)C1 ZINC001521692746 1266165603 /nfs/dbraw/zinc/16/56/03/1266165603.db2.gz QERFSTHHKKWBAF-QFBILLFUSA-N 2 2 361.490 0.922 10 0 FCAELP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001521917575 1266220410 /nfs/dbraw/zinc/22/04/10/1266220410.db2.gz SJSLMUZRAGPYFQ-OAGGEKHMSA-N 2 2 366.506 0.012 10 0 FCAELP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001521917575 1266220415 /nfs/dbraw/zinc/22/04/15/1266220415.db2.gz SJSLMUZRAGPYFQ-OAGGEKHMSA-N 2 2 366.506 0.012 10 0 FCAELP Cc1c[nH+]cn1CC(=O)NC[C@@]1(C)CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001335404408 1259648744 /nfs/dbraw/zinc/64/87/44/1259648744.db2.gz GDFMRIAMPFNZJN-GOSISDBHSA-N 2 2 358.446 0.751 10 0 FCAELP C[NH+]1CCC2(CCN2C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC001335894608 1259888340 /nfs/dbraw/zinc/88/83/40/1259888340.db2.gz YMEDNURQIRKUFZ-OAHLLOKOSA-N 2 2 357.458 0.473 10 0 FCAELP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)C(=O)N1CCC[NH+]2CCC[C@@H]2C1 ZINC001331949686 1266308217 /nfs/dbraw/zinc/30/82/17/1266308217.db2.gz HIYAYPAJMNESHY-SJLPKXTDSA-N 2 2 356.470 0.986 10 0 FCAELP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)C(=O)N1CCC[NH+]2CCC[C@@H]2C1 ZINC001331949686 1266308231 /nfs/dbraw/zinc/30/82/31/1266308231.db2.gz HIYAYPAJMNESHY-SJLPKXTDSA-N 2 2 356.470 0.986 10 0 FCAELP C[NH+]1Cc2ccccc2[C@H]1CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001331949686 1266308244 /nfs/dbraw/zinc/30/82/44/1266308244.db2.gz HIYAYPAJMNESHY-SJLPKXTDSA-N 2 2 356.470 0.986 10 0 FCAELP C[NH+]1Cc2ccccc2[C@H]1CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001331949686 1266308254 /nfs/dbraw/zinc/30/82/54/1266308254.db2.gz HIYAYPAJMNESHY-SJLPKXTDSA-N 2 2 356.470 0.986 10 0 FCAELP Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)COC2CC[NH+](C)CC2)cc[nH+]1 ZINC001336680530 1260201943 /nfs/dbraw/zinc/20/19/43/1260201943.db2.gz DWMZZKZKELKSIC-JKSUJKDBSA-N 2 2 363.462 0.581 10 0 FCAELP COCC[NH+](CCOC)C1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001262141831 1260267885 /nfs/dbraw/zinc/26/78/85/1260267885.db2.gz FICARYGQPNZNSR-UHFFFAOYSA-N 2 2 359.430 0.687 10 0 FCAELP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001264716503 1260400902 /nfs/dbraw/zinc/40/09/02/1260400902.db2.gz MCGPZYQYQXLXKC-KGLIPLIRSA-N 2 2 367.494 0.143 10 0 FCAELP CCCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001264716503 1260400903 /nfs/dbraw/zinc/40/09/03/1260400903.db2.gz MCGPZYQYQXLXKC-KGLIPLIRSA-N 2 2 367.494 0.143 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)CCn2cncn2)C1 ZINC001265395259 1260412891 /nfs/dbraw/zinc/41/28/91/1260412891.db2.gz RXOBFYOAKAYQIL-BRWVUGGUSA-N 2 2 371.489 0.986 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CCn2cncn2)C1 ZINC001265395259 1260412895 /nfs/dbraw/zinc/41/28/95/1260412895.db2.gz RXOBFYOAKAYQIL-BRWVUGGUSA-N 2 2 371.489 0.986 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH+](C)Cc2ccn(CC)n2)CC[N@@H+]1C ZINC001278859486 1260744977 /nfs/dbraw/zinc/74/49/77/1260744977.db2.gz CCDZZXGEAYURJS-OKZBNKHCSA-N 2 2 365.522 0.884 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH+](C)Cc2ccn(CC)n2)CC[N@H+]1C ZINC001278859486 1260744981 /nfs/dbraw/zinc/74/49/81/1260744981.db2.gz CCDZZXGEAYURJS-OKZBNKHCSA-N 2 2 365.522 0.884 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc2ccn(CC)n2)CC[NH+]1C ZINC001278859486 1260744984 /nfs/dbraw/zinc/74/49/84/1260744984.db2.gz CCDZZXGEAYURJS-OKZBNKHCSA-N 2 2 365.522 0.884 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc2ccn(CC)n2)CC[NH+]1C ZINC001278859486 1260744991 /nfs/dbraw/zinc/74/49/91/1260744991.db2.gz CCDZZXGEAYURJS-OKZBNKHCSA-N 2 2 365.522 0.884 10 0 FCAELP CC[C@H](C(=O)N[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C)[NH+](C)C ZINC001281784656 1261195863 /nfs/dbraw/zinc/19/58/63/1261195863.db2.gz VANYGILKHWINIM-DAXOMENPSA-N 2 2 365.478 0.653 10 0 FCAELP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001281978532 1261318718 /nfs/dbraw/zinc/31/87/18/1261318718.db2.gz ZCAQISWZXVIPBO-NVXWUHKLSA-N 2 2 361.490 0.754 10 0 FCAELP CC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H]1C ZINC001282389275 1261442278 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/nfs/dbraw/zinc/39/16/53/1262391653.db2.gz XBFLSPSZPMXESK-UXLLHSPISA-N 2 2 366.506 0.202 10 0 FCAELP C[NH+](CC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)C1CCC1 ZINC001290156394 1262391657 /nfs/dbraw/zinc/39/16/57/1262391657.db2.gz XBFLSPSZPMXESK-UXLLHSPISA-N 2 2 366.506 0.202 10 0 FCAELP CC[C@@H](C(=O)NC[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C)[NH+](C)C ZINC001290998260 1262552025 /nfs/dbraw/zinc/55/20/25/1262552025.db2.gz RKFCUMOPWUJBIE-OAGGEKHMSA-N 2 2 363.506 0.904 10 0 FCAELP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CCNC(=O)CCn1cc[nH+]c1 ZINC001291648736 1262573470 /nfs/dbraw/zinc/57/34/70/1262573470.db2.gz LWAOUMFQLAPXHK-BRWVUGGUSA-N 2 2 361.490 0.826 10 0 FCAELP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CCNC(=O)CCn1cc[nH+]c1 ZINC001291648736 1262573475 /nfs/dbraw/zinc/57/34/75/1262573475.db2.gz LWAOUMFQLAPXHK-BRWVUGGUSA-N 2 2 361.490 0.826 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)CCc3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC001295123176 1262758406 /nfs/dbraw/zinc/75/84/06/1262758406.db2.gz ZSIPSBROQMRZCC-NXNVCVFFSA-N 2 2 361.490 0.846 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)CCc3c[nH+]cn3C)C2)CC[N@H+]1C ZINC001295123176 1262758409 /nfs/dbraw/zinc/75/84/09/1262758409.db2.gz ZSIPSBROQMRZCC-NXNVCVFFSA-N 2 2 361.490 0.846 10 0 FCAELP COc1cc[nH+]cc1CC(=O)N(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001298080609 1262909092 /nfs/dbraw/zinc/90/90/92/1262909092.db2.gz FQHLPAAOOAKHON-GDBMZVCRSA-N 2 2 362.474 0.890 10 0 FCAELP COc1cc[nH+]cc1CC(=O)N(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001298080609 1262909094 /nfs/dbraw/zinc/90/90/94/1262909094.db2.gz FQHLPAAOOAKHON-GDBMZVCRSA-N 2 2 362.474 0.890 10 0 FCAELP COc1cc[nH+]cc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001479459756 1263208001 /nfs/dbraw/zinc/20/80/01/1263208001.db2.gz HIQIPZLGGCRAPU-XJKSGUPXSA-N 2 2 360.458 0.786 10 0 FCAELP Cn1cc([C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2[NH2+]C/C=C/Cl)cn1 ZINC001479503733 1263229689 /nfs/dbraw/zinc/22/96/89/1263229689.db2.gz SITMOKZNOHSCBI-XJEJTNKKSA-N 2 2 367.881 0.387 10 0 FCAELP Cn1cc([C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2[NH2+]C/C=C/Cl)cn1 ZINC001479503733 1263229692 /nfs/dbraw/zinc/22/96/92/1263229692.db2.gz SITMOKZNOHSCBI-XJEJTNKKSA-N 2 2 367.881 0.387 10 0 FCAELP C[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H]1CCC[NH2+]CC(N)=O ZINC001479596142 1263269376 /nfs/dbraw/zinc/26/93/76/1263269376.db2.gz SCGWXKGTMLCNFP-BZUAXINKSA-N 2 2 361.490 0.928 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[N@@H+]1C[C@@H](O)COC ZINC001479636520 1263283248 /nfs/dbraw/zinc/28/32/48/1263283248.db2.gz BULJJDWLBCSXKO-OWCLPIDISA-N 2 2 352.479 0.903 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[N@H+]1C[C@@H](O)COC ZINC001479636520 1263283250 /nfs/dbraw/zinc/28/32/50/1263283250.db2.gz BULJJDWLBCSXKO-OWCLPIDISA-N 2 2 352.479 0.903 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC001479714361 1263376682 /nfs/dbraw/zinc/37/66/82/1263376682.db2.gz MDRJKZKYLLBZAS-PMPSAXMXSA-N 2 2 368.503 0.677 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC001479714361 1263376690 /nfs/dbraw/zinc/37/66/90/1263376690.db2.gz MDRJKZKYLLBZAS-PMPSAXMXSA-N 2 2 368.503 0.677 10 0 FCAELP COC[C@@H](O)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001479737967 1263408764 /nfs/dbraw/zinc/40/87/64/1263408764.db2.gz RBHZXVZODWKDRU-MWDXBVQZSA-N 2 2 364.490 0.844 10 0 FCAELP COC[C@@H](O)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001479737967 1263408768 /nfs/dbraw/zinc/40/87/68/1263408768.db2.gz RBHZXVZODWKDRU-MWDXBVQZSA-N 2 2 364.490 0.844 10 0 FCAELP Cc1cc(NC(=O)C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)n(C)n1 ZINC001480143760 1263425516 /nfs/dbraw/zinc/42/55/16/1263425516.db2.gz KKFYEOKPOGAURW-AAVRWANBSA-N 2 2 371.445 0.431 10 0 FCAELP O=C(C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)NCC(F)(F)F ZINC001480208697 1263426029 /nfs/dbraw/zinc/42/60/29/1263426029.db2.gz GDPBESTUFJXXOI-LMLFDSFASA-N 2 2 359.352 0.429 10 0 FCAELP O=C(C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)NCC(F)(F)F ZINC001480208697 1263426034 /nfs/dbraw/zinc/42/60/34/1263426034.db2.gz GDPBESTUFJXXOI-LMLFDSFASA-N 2 2 359.352 0.429 10 0 FCAELP O=C(C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)NC[C@@H]1CCCO1 ZINC001480209006 1263426666 /nfs/dbraw/zinc/42/66/66/1263426666.db2.gz MYTYDJOLCDUSLN-XPABHHOTSA-N 2 2 361.446 0.045 10 0 FCAELP O=C(C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)NC[C@@H]1CCCO1 ZINC001480209006 1263426671 /nfs/dbraw/zinc/42/66/71/1263426671.db2.gz MYTYDJOLCDUSLN-XPABHHOTSA-N 2 2 361.446 0.045 10 0 FCAELP CCC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001480608817 1263433153 /nfs/dbraw/zinc/43/31/53/1263433153.db2.gz PNSPAAPHWHUAMD-ARFHVFGLSA-N 2 2 361.490 0.878 10 0 FCAELP CCS(=O)(=O)NCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001480615801 1263433779 /nfs/dbraw/zinc/43/37/79/1263433779.db2.gz BZFAZOPTIPJFDA-BFHYXJOUSA-N 2 2 369.491 0.033 10 0 FCAELP CCS(=O)(=O)NCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001480615801 1263433783 /nfs/dbraw/zinc/43/37/83/1263433783.db2.gz BZFAZOPTIPJFDA-BFHYXJOUSA-N 2 2 369.491 0.033 10 0 FCAELP O=C([C@H]1CCc2c[nH+]cn2C1)N1C[C@@H]2C[N@H+](CCOCCO)CC[C@@H]2C1 ZINC001316755498 1263459776 /nfs/dbraw/zinc/45/97/76/1263459776.db2.gz YLGWRSHJTYIRAX-IKGGRYGDSA-N 2 2 362.474 0.235 10 0 FCAELP O=C([C@H]1CCc2c[nH+]cn2C1)N1C[C@@H]2C[N@@H+](CCOCCO)CC[C@@H]2C1 ZINC001316755498 1263459777 /nfs/dbraw/zinc/45/97/77/1263459777.db2.gz YLGWRSHJTYIRAX-IKGGRYGDSA-N 2 2 362.474 0.235 10 0 FCAELP O=C(C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)NCC1CCC1 ZINC001317325665 1263508619 /nfs/dbraw/zinc/50/86/19/1263508619.db2.gz LMBXAHFOSRNVBE-BZUAXINKSA-N 2 2 359.474 0.868 10 0 FCAELP O=C(C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)NCC1CCC1 ZINC001317325665 1263508633 /nfs/dbraw/zinc/50/86/33/1263508633.db2.gz LMBXAHFOSRNVBE-BZUAXINKSA-N 2 2 359.474 0.868 10 0 FCAELP C[N@H+](CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C[C@@H]1CCCOC1 ZINC001317454478 1263510495 /nfs/dbraw/zinc/51/04/95/1263510495.db2.gz INSMVSRHADAPLZ-KSZLIROESA-N 2 2 369.506 0.341 10 0 FCAELP C[N@@H+](CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C[C@@H]1CCCOC1 ZINC001317454478 1263510500 /nfs/dbraw/zinc/51/05/00/1263510500.db2.gz INSMVSRHADAPLZ-KSZLIROESA-N 2 2 369.506 0.341 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCC2=CC[NH+](CCCS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001486509793 1263540767 /nfs/dbraw/zinc/54/07/67/1263540767.db2.gz PNLDNTVHFCWJNW-DLBZAZTESA-N 2 2 371.547 0.900 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCC2=CC[NH+](CCCS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001486509793 1263540774 /nfs/dbraw/zinc/54/07/74/1263540774.db2.gz PNLDNTVHFCWJNW-DLBZAZTESA-N 2 2 371.547 0.900 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCC2=CC[N@H+](CCCS(C)(=O)=O)CC2)CC[NH+]1C ZINC001486509793 1263540782 /nfs/dbraw/zinc/54/07/82/1263540782.db2.gz PNLDNTVHFCWJNW-DLBZAZTESA-N 2 2 371.547 0.900 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCC2=CC[N@@H+](CCCS(C)(=O)=O)CC2)CC[NH+]1C ZINC001486509793 1263540789 /nfs/dbraw/zinc/54/07/89/1263540789.db2.gz PNLDNTVHFCWJNW-DLBZAZTESA-N 2 2 371.547 0.900 10 0 FCAELP O=C(NCC[C@@H]1CC[N@@H+](CCCO)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001494034578 1263748422 /nfs/dbraw/zinc/74/84/22/1263748422.db2.gz LSTNYUQWEFYYRT-KURKYZTESA-N 2 2 369.506 0.077 10 0 FCAELP O=C(NCC[C@@H]1CC[N@H+](CCCO)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001494034578 1263748424 /nfs/dbraw/zinc/74/84/24/1263748424.db2.gz LSTNYUQWEFYYRT-KURKYZTESA-N 2 2 369.506 0.077 10 0 FCAELP O=C(NC1(C[NH2+]CCCO)CCCC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001495179559 1263801273 /nfs/dbraw/zinc/80/12/73/1263801273.db2.gz PIGYHAUKAQYGFR-SJORKVTESA-N 2 2 369.506 0.267 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(C[NH2+]CCn2cncn2)CCCC1 ZINC001495192285 1263805034 /nfs/dbraw/zinc/80/50/34/1263805034.db2.gz RGJMLNLZEZINNU-HUUCEWRRSA-N 2 2 357.462 0.834 10 0 FCAELP CN(C[C@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001497931478 1263957746 /nfs/dbraw/zinc/95/77/46/1263957746.db2.gz OLUTXKRLJVLQLU-BZUAXINKSA-N 2 2 361.490 0.782 10 0 FCAELP C[C@@H](NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1)C1CC1 ZINC001499351903 1264025207 /nfs/dbraw/zinc/02/52/07/1264025207.db2.gz QMRUOFRLBMVACN-BPLDGKMQSA-N 2 2 359.474 0.677 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCS(C)(=O)=O)C1 ZINC001500378408 1264066880 /nfs/dbraw/zinc/06/68/80/1264066880.db2.gz OOGAFWJGUQJFPX-CKEIUWERSA-N 2 2 368.503 0.396 10 0 FCAELP COCCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001501350004 1264115824 /nfs/dbraw/zinc/11/58/24/1264115824.db2.gz QDLWRXABRYSLHC-IIDMSEBBSA-N 2 2 350.463 0.503 10 0 FCAELP COCCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001501350004 1264115832 /nfs/dbraw/zinc/11/58/32/1264115832.db2.gz QDLWRXABRYSLHC-IIDMSEBBSA-N 2 2 350.463 0.503 10 0 FCAELP COCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001501598053 1264141298 /nfs/dbraw/zinc/14/12/98/1264141298.db2.gz XYKDRAAYYZBOLE-KURKYZTESA-N 2 2 369.506 0.341 10 0 FCAELP Cc1cc(NC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)no1 ZINC001503263407 1264204162 /nfs/dbraw/zinc/20/41/62/1264204162.db2.gz NHNGKTRHCQJSMJ-CYZMBNFOSA-N 2 2 360.418 0.933 10 0 FCAELP Cc1cc(NC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)no1 ZINC001503263407 1264204167 /nfs/dbraw/zinc/20/41/67/1264204167.db2.gz NHNGKTRHCQJSMJ-CYZMBNFOSA-N 2 2 360.418 0.933 10 0 FCAELP CC[NH+](CC)CC(=O)N1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001506494172 1264323854 /nfs/dbraw/zinc/32/38/54/1264323854.db2.gz QFTRBARZPISNSZ-SPYBWZPUSA-N 2 2 361.490 0.973 10 0 FCAELP CC(C)[C@@H](CCNC(=O)Cc1c[nH+]cn1C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001510267825 1264489448 /nfs/dbraw/zinc/48/94/48/1264489448.db2.gz JSPQZLZHSAKRTP-DJIMGWMZSA-N 2 2 363.506 0.950 10 0 FCAELP CC(C)[C@@H](CCNC(=O)Cc1c[nH+]cn1C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001510267825 1264489455 /nfs/dbraw/zinc/48/94/55/1264489455.db2.gz JSPQZLZHSAKRTP-DJIMGWMZSA-N 2 2 363.506 0.950 10 0 FCAELP CN(C1CC[NH+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1)S(C)(=O)=O ZINC001334057072 1266798802 /nfs/dbraw/zinc/79/88/02/1266798802.db2.gz WSTHVCKWEYWFMJ-CQSZACIVSA-N 2 2 356.496 0.058 10 0 FCAELP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1cc[nH+]c1 ZINC001522277939 1266460166 /nfs/dbraw/zinc/46/01/66/1266460166.db2.gz ITVZUXWYSMPEAH-FPCVCCKLSA-N 2 2 365.453 0.811 10 0 FCAELP C[N@@H+]1CC[C@@H](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCn2cc[nH+]c2)C3)C1 ZINC001522310944 1266484631 /nfs/dbraw/zinc/48/46/31/1266484631.db2.gz UAGOKMBNDXIMEX-HZMVEIRTSA-N 2 2 359.474 0.863 10 0 FCAELP C[N@H+]1CC[C@@H](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCn2cc[nH+]c2)C3)C1 ZINC001522310944 1266484635 /nfs/dbraw/zinc/48/46/35/1266484635.db2.gz UAGOKMBNDXIMEX-HZMVEIRTSA-N 2 2 359.474 0.863 10 0 FCAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCC[NH+](C)C ZINC001522318295 1266489110 /nfs/dbraw/zinc/48/91/10/1266489110.db2.gz KDFBUINFUCPUDT-OIISXLGYSA-N 2 2 361.490 0.943 10 0 FCAELP O=C(NCCCCn1cc[nH+]c1)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001333272698 1266568429 /nfs/dbraw/zinc/56/84/29/1266568429.db2.gz NXUPIIYXUHLDFW-MRXNPFEDSA-N 2 2 363.462 0.149 10 0 FCAELP O=C(NCCCCn1cc[nH+]c1)C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC001333272698 1266568438 /nfs/dbraw/zinc/56/84/38/1266568438.db2.gz NXUPIIYXUHLDFW-MRXNPFEDSA-N 2 2 363.462 0.149 10 0 FCAELP Cc1c(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cccc1C(N)=O ZINC001333340742 1266583687 /nfs/dbraw/zinc/58/36/87/1266583687.db2.gz PZLGKHSSUXRVBC-UHFFFAOYSA-N 2 2 363.462 0.032 10 0 FCAELP Cc1c(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)cccc1C(N)=O ZINC001333340742 1266583696 /nfs/dbraw/zinc/58/36/96/1266583696.db2.gz PZLGKHSSUXRVBC-UHFFFAOYSA-N 2 2 363.462 0.032 10 0 FCAELP CN(C[C@H]1CCCN1C(=O)CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001333609421 1266648948 /nfs/dbraw/zinc/64/89/48/1266648948.db2.gz XIELESKBZXUDNP-BZUAXINKSA-N 2 2 361.490 0.925 10 0 FCAELP C[NH+]1CCN(Cc2cccc(CNC(=O)C3C[NH+]([C@@H]4CCOC4)C3)c2)CC1 ZINC001334402037 1266981719 /nfs/dbraw/zinc/98/17/19/1266981719.db2.gz JRYGBCQDNKCWPE-HXUWFJFHSA-N 2 2 372.513 0.771 10 0 FCAELP CN1CC[NH+](Cc2cccc(CNC(=O)C3C[NH+]([C@@H]4CCOC4)C3)c2)CC1 ZINC001334402037 1266981727 /nfs/dbraw/zinc/98/17/27/1266981727.db2.gz JRYGBCQDNKCWPE-HXUWFJFHSA-N 2 2 372.513 0.771 10 0 FCAELP CN(C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)C(=O)CC[NH+](C)C ZINC001530196664 1267100539 /nfs/dbraw/zinc/10/05/39/1267100539.db2.gz APIFTWNVFPQEGF-BZUAXINKSA-N 2 2 361.490 0.782 10 0 FCAELP CN(C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)C(=O)CC[NH+](C)C ZINC001530196662 1267100632 /nfs/dbraw/zinc/10/06/32/1267100632.db2.gz APIFTWNVFPQEGF-ARFHVFGLSA-N 2 2 361.490 0.782 10 0 FCAELP Cn1cc([C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C[C@@H]3c3cnn(C)c3)CC[NH2+]2)cn1 ZINC001335074957 1267316459 /nfs/dbraw/zinc/31/64/59/1267316459.db2.gz CBNYUBRLRWRJDD-RCCFBDPRSA-N 2 2 371.489 0.362 10 0 FCAELP Cn1cc([C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C[C@@H]3c3cnn(C)c3)CC[NH2+]2)cn1 ZINC001335074957 1267316470 /nfs/dbraw/zinc/31/64/70/1267316470.db2.gz CBNYUBRLRWRJDD-RCCFBDPRSA-N 2 2 371.489 0.362 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(N3C(=O)N[C@@H](CC4OCCO4)C3=O)CC2)CC1 ZINC001340047299 1268417777 /nfs/dbraw/zinc/41/77/77/1268417777.db2.gz GSDHROKPSZGNRS-HNNXBMFYSA-N 2 2 366.462 0.228 10 0 FCAELP CC[NH+]1CCC([N@@H+]2CCCN(c3nnnn3C[C@@H]3CCCO3)CC2)CC1 ZINC001340249541 1268486897 /nfs/dbraw/zinc/48/68/97/1268486897.db2.gz BKMVLFHSGVQCGJ-KRWDZBQOSA-N 2 2 363.510 0.849 10 0 FCAELP CC[NH+]1CCC([N@H+]2CCCN(c3nnnn3C[C@@H]3CCCO3)CC2)CC1 ZINC001340249541 1268486902 /nfs/dbraw/zinc/48/69/02/1268486902.db2.gz BKMVLFHSGVQCGJ-KRWDZBQOSA-N 2 2 363.510 0.849 10 0 FCAELP CC(C)(C)OC(=O)CNC(=O)C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001560217117 1269197531 /nfs/dbraw/zinc/19/75/31/1269197531.db2.gz FUSYQQLLLINMMU-UHFFFAOYSA-N 2 2 369.506 0.757 10 0 FCAELP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001342203497 1269396315 /nfs/dbraw/zinc/39/63/15/1269396315.db2.gz PIHCXSXHKCIPDE-OWCLPIDISA-N 2 2 361.490 0.750 10 0 FCAELP O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1)NCc1ccco1 ZINC001565919955 1269518080 /nfs/dbraw/zinc/51/80/80/1269518080.db2.gz FTXNQYRHDUMYAG-LSDHHAIUSA-N 2 2 359.430 0.667 10 0 FCAELP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CCc1ccnn1C ZINC001565954043 1269530216 /nfs/dbraw/zinc/53/02/16/1269530216.db2.gz PBXZSJIESUCGJU-GDBMZVCRSA-N 2 2 360.462 0.382 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1C[C@H](C)CS(C)(=O)=O ZINC001566018674 1269556125 /nfs/dbraw/zinc/55/61/25/1269556125.db2.gz KPJPDOLUJVZQIE-HRCADAONSA-N 2 2 370.519 0.923 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1C[C@H](C)CS(C)(=O)=O ZINC001566018674 1269556128 /nfs/dbraw/zinc/55/61/28/1269556128.db2.gz KPJPDOLUJVZQIE-HRCADAONSA-N 2 2 370.519 0.923 10 0 FCAELP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001342668700 1269558036 /nfs/dbraw/zinc/55/80/36/1269558036.db2.gz DUKYSOQNQGELCB-BPLDGKMQSA-N 2 2 353.442 0.595 10 0 FCAELP CCOCC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001566036359 1269567453 /nfs/dbraw/zinc/56/74/53/1269567453.db2.gz YRIBAOJMOMXDJL-BRWVUGGUSA-N 2 2 364.490 0.845 10 0 FCAELP CCOCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001566036359 1269567456 /nfs/dbraw/zinc/56/74/56/1269567456.db2.gz YRIBAOJMOMXDJL-BRWVUGGUSA-N 2 2 364.490 0.845 10 0 FCAELP C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC[C@@H]1CCS(=O)(=O)C1 ZINC001566463214 1269645587 /nfs/dbraw/zinc/64/55/87/1269645587.db2.gz PDNJRXKYGBOKKO-RBSFLKMASA-N 2 2 368.503 0.776 10 0 FCAELP C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC[C@@H]1CCS(=O)(=O)C1 ZINC001566463214 1269645592 /nfs/dbraw/zinc/64/55/92/1269645592.db2.gz PDNJRXKYGBOKKO-RBSFLKMASA-N 2 2 368.503 0.776 10 0 FCAELP C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC[C@@H]1CCS(=O)(=O)C1 ZINC001566463214 1269645595 /nfs/dbraw/zinc/64/55/95/1269645595.db2.gz PDNJRXKYGBOKKO-RBSFLKMASA-N 2 2 368.503 0.776 10 0 FCAELP C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC[C@@H]1CCS(=O)(=O)C1 ZINC001566463214 1269645599 /nfs/dbraw/zinc/64/55/99/1269645599.db2.gz PDNJRXKYGBOKKO-RBSFLKMASA-N 2 2 368.503 0.776 10 0 FCAELP CC(C)N1CC[C@H]([N@H+](C)CCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1=O ZINC001566492562 1269649285 /nfs/dbraw/zinc/64/92/85/1269649285.db2.gz LRLLRIFJEYWVDG-OAGGEKHMSA-N 2 2 361.490 0.971 10 0 FCAELP CC(C)N1CC[C@H]([N@@H+](C)CCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1=O ZINC001566492562 1269649296 /nfs/dbraw/zinc/64/92/96/1269649296.db2.gz LRLLRIFJEYWVDG-OAGGEKHMSA-N 2 2 361.490 0.971 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](C[NH2+]CC(=O)NC(C)(C)C)C1CC1 ZINC001569320651 1269777436 /nfs/dbraw/zinc/77/74/36/1269777436.db2.gz YBKDGXSSXDOURW-RBSFLKMASA-N 2 2 361.490 0.923 10 0 FCAELP CN(CC1CC1)C(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001571125433 1269926113 /nfs/dbraw/zinc/92/61/13/1269926113.db2.gz IOCRSTHLSUYQTH-KLHDSHLOSA-N 2 2 359.474 0.866 10 0 FCAELP CN(CC1CC1)C(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001571125433 1269926120 /nfs/dbraw/zinc/92/61/20/1269926120.db2.gz IOCRSTHLSUYQTH-KLHDSHLOSA-N 2 2 359.474 0.866 10 0 FCAELP CN(C[C@H](O)C[NH2+]CCC1CCOCC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001571583031 1269939808 /nfs/dbraw/zinc/93/98/08/1269939808.db2.gz SPNGWIFUNHFKKV-BZUAXINKSA-N 2 2 350.463 0.739 10 0 FCAELP CN(C[C@H](O)C[NH2+]CCC1CCOCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001571583031 1269939817 /nfs/dbraw/zinc/93/98/17/1269939817.db2.gz SPNGWIFUNHFKKV-BZUAXINKSA-N 2 2 350.463 0.739 10 0 FCAELP CN(C[C@@H](O)C[NH2+]CC1CCC1)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001571586344 1269940030 /nfs/dbraw/zinc/94/00/30/1269940030.db2.gz MZYMDNIJMWGDLD-KSZLIROESA-N 2 2 369.506 0.075 10 0 FCAELP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CN(C)C(=O)Cc2c[nH+]cn2C)CC[N@@H+]1C ZINC001571717359 1269953433 /nfs/dbraw/zinc/95/34/33/1269953433.db2.gz CXNRJDHWRAKGOH-BFYDXBDKSA-N 2 2 361.490 0.752 10 0 FCAELP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CN(C)C(=O)Cc2c[nH+]cn2C)CC[N@H+]1C ZINC001571717359 1269953440 /nfs/dbraw/zinc/95/34/40/1269953440.db2.gz CXNRJDHWRAKGOH-BFYDXBDKSA-N 2 2 361.490 0.752 10 0 FCAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001344276075 1270126534 /nfs/dbraw/zinc/12/65/34/1270126534.db2.gz KEUMPQSWELKCJL-HRCADAONSA-N 2 2 361.490 0.706 10 0 FCAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001344276075 1270126541 /nfs/dbraw/zinc/12/65/41/1270126541.db2.gz KEUMPQSWELKCJL-HRCADAONSA-N 2 2 361.490 0.706 10 0 FCAELP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001344276280 1270126881 /nfs/dbraw/zinc/12/68/81/1270126881.db2.gz QJBRFOQQMRGVDO-HRCADAONSA-N 2 2 361.490 0.706 10 0 FCAELP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001344276280 1270126884 /nfs/dbraw/zinc/12/68/84/1270126884.db2.gz QJBRFOQQMRGVDO-HRCADAONSA-N 2 2 361.490 0.706 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCCCNC(=O)Cc2cn3c([nH+]2)CCCC3)CC[N@@H+]1C ZINC001575873054 1272539712 /nfs/dbraw/zinc/53/97/12/1272539712.db2.gz QQZQMFYXSBTUHX-GDBMZVCRSA-N 2 2 361.490 0.725 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCCCNC(=O)Cc2cn3c([nH+]2)CCCC3)CC[N@H+]1C ZINC001575873054 1272539719 /nfs/dbraw/zinc/53/97/19/1272539719.db2.gz QQZQMFYXSBTUHX-GDBMZVCRSA-N 2 2 361.490 0.725 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[N@H+](CC(=O)N1CCC1)C1CC1 ZINC001713045522 1287262422 /nfs/dbraw/zinc/26/24/22/1287262422.db2.gz ZBJDKFACGXOUIZ-HZPDHXFCSA-N 2 2 359.474 0.727 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[N@@H+](CC(=O)N1CCC1)C1CC1 ZINC001713045522 1287262426 /nfs/dbraw/zinc/26/24/26/1287262426.db2.gz ZBJDKFACGXOUIZ-HZPDHXFCSA-N 2 2 359.474 0.727 10 0 FCAELP COc1ncc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c(C)n1 ZINC001713634796 1287289494 /nfs/dbraw/zinc/28/94/94/1287289494.db2.gz GGNJJZARVLVIQR-HUUCEWRRSA-N 2 2 358.446 0.879 10 0 FCAELP CC(C)CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001714243654 1287316950 /nfs/dbraw/zinc/31/69/50/1287316950.db2.gz LEMLYBXXULZAOG-JHJVBQTASA-N 2 2 364.450 0.089 10 0 FCAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]Cc1cccc(C(N)=O)c1 ZINC001714273065 1287318090 /nfs/dbraw/zinc/31/80/90/1287318090.db2.gz FMCPXVMREKWBLV-DAXOMENPSA-N 2 2 355.442 0.917 10 0 FCAELP CN(CC[NH2+]Cc1cc(=O)n2nccc2[nH]1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001714715456 1287332349 /nfs/dbraw/zinc/33/23/49/1287332349.db2.gz INPWBXPEXQGDHN-CHWSQXEVSA-N 2 2 355.402 0.097 10 0 FCAELP CS(=O)(=O)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001715182428 1287345962 /nfs/dbraw/zinc/34/59/62/1287345962.db2.gz ICTOWPWUYAOKND-AAVRWANBSA-N 2 2 354.476 0.575 10 0 FCAELP CS(=O)(=O)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001715182428 1287345966 /nfs/dbraw/zinc/34/59/66/1287345966.db2.gz ICTOWPWUYAOKND-AAVRWANBSA-N 2 2 354.476 0.575 10 0 FCAELP C[C@H](CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C[NH2+]C/C=C/Cl ZINC001715242679 1287347535 /nfs/dbraw/zinc/34/75/35/1287347535.db2.gz DFTDFJDYROVCRA-JTUBXYIQSA-N 2 2 359.898 0.961 10 0 FCAELP C[C@H](CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C[NH2+]C/C=C\Cl ZINC001715242676 1287348224 /nfs/dbraw/zinc/34/82/24/1287348224.db2.gz DFTDFJDYROVCRA-BJLQMHTGSA-N 2 2 359.898 0.961 10 0 FCAELP O=C(NCC1([NH2+]CCF)CCCC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001715303004 1287348738 /nfs/dbraw/zinc/34/87/38/1287348738.db2.gz KMEYQNMXZSKUJW-CVEARBPZSA-N 2 2 357.470 0.854 10 0 FCAELP C[C@@H](C[NH2+]CC(=O)NCC(F)(F)F)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001716453557 1287380489 /nfs/dbraw/zinc/38/04/89/1287380489.db2.gz YFYXYAPXSIIOLA-HBNTYKKESA-N 2 2 361.368 0.296 10 0 FCAELP 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CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001647772828 1291073291 /nfs/dbraw/zinc/07/32/91/1291073291.db2.gz GZOGVTXIBITZJV-XJKSGUPXSA-N 2 2 363.462 0.072 10 0 FCAELP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001647772828 1291073296 /nfs/dbraw/zinc/07/32/96/1291073296.db2.gz GZOGVTXIBITZJV-XJKSGUPXSA-N 2 2 363.462 0.072 10 0 FCAELP C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1CCC[NH2+]CCS(C)(=O)=O ZINC001656627024 1291552798 /nfs/dbraw/zinc/55/27/98/1291552798.db2.gz CYIOPECFFLNKSV-HUUCEWRRSA-N 2 2 370.519 0.994 10 0 FCAELP C[C@@H](C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)CS(C)(=O)=O ZINC001661435417 1291694150 /nfs/dbraw/zinc/69/41/50/1291694150.db2.gz QUOIJLNRKMZTQZ-QSLWVIQJSA-N 2 2 354.476 0.431 10 0 FCAELP C[C@@H](C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)CS(C)(=O)=O ZINC001661435417 1291694159 /nfs/dbraw/zinc/69/41/59/1291694159.db2.gz QUOIJLNRKMZTQZ-QSLWVIQJSA-N 2 2 354.476 0.431 10 0 FCAELP CCCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001664740668 1291809127 /nfs/dbraw/zinc/80/91/27/1291809127.db2.gz INAHNAPLTNCOKF-ARFHVFGLSA-N 2 2 361.490 0.878 10 0 FCAELP CCCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001664740668 1291809134 /nfs/dbraw/zinc/80/91/34/1291809134.db2.gz INAHNAPLTNCOKF-ARFHVFGLSA-N 2 2 361.490 0.878 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1nc2ccccc2o1 ZINC001667894387 1291948338 /nfs/dbraw/zinc/94/83/38/1291948338.db2.gz SBZTWYPODKIWCO-BFHYXJOUSA-N 2 2 369.425 0.932 10 0 FCAELP Cn1cc(C[N@@H+]2CC[C@](O)(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)cn1 ZINC001672024410 1292058501 /nfs/dbraw/zinc/05/85/01/1292058501.db2.gz LPKJJRRAFPEGQB-RKVPGOIHSA-N 2 2 358.446 0.010 10 0 FCAELP Cn1cc(C[N@H+]2CC[C@](O)(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)cn1 ZINC001672024410 1292058508 /nfs/dbraw/zinc/05/85/08/1292058508.db2.gz LPKJJRRAFPEGQB-RKVPGOIHSA-N 2 2 358.446 0.010 10 0 FCAELP CC(C)[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001674087626 1292131099 /nfs/dbraw/zinc/13/10/99/1292131099.db2.gz KIUIAURKDHRCNZ-SJORKVTESA-N 2 2 369.506 0.218 10 0 FCAELP Cc1nc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)nc2ccccc12 ZINC001676535264 1292206693 /nfs/dbraw/zinc/20/66/93/1292206693.db2.gz JOZGHQYUTNHBMA-BFYDXBDKSA-N 2 2 371.485 0.845 10 0 FCAELP Cc1nc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)nc2ccccc12 ZINC001676535264 1292206699 /nfs/dbraw/zinc/20/66/99/1292206699.db2.gz JOZGHQYUTNHBMA-BFYDXBDKSA-N 2 2 371.485 0.845 10 0 FCAELP C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@H]1CN(C)CC[N@@H+]1C ZINC001684804462 1292338871 /nfs/dbraw/zinc/33/88/71/1292338871.db2.gz AGDMBGYJOITJQX-ZWKOTPCHSA-N 3 2 370.586 0.536 10 0 FCAELP C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@H]1CN(C)CC[N@H+]1C ZINC001684804462 1292338881 /nfs/dbraw/zinc/33/88/81/1292338881.db2.gz AGDMBGYJOITJQX-ZWKOTPCHSA-N 3 2 370.586 0.536 10 0 FCAELP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)CC(=O)N(C)c1nccs1 ZINC001275836637 861221445 /nfs/dbraw/zinc/22/14/45/861221445.db2.gz VEGOALKNQRIEGI-BFHYXJOUSA-N 2 2 367.519 0.883 10 0 FCAELP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)CC(=O)N(C)c1nccs1 ZINC001275836637 861221460 /nfs/dbraw/zinc/22/14/60/861221460.db2.gz VEGOALKNQRIEGI-BFHYXJOUSA-N 2 2 367.519 0.883 10 0 FCAELP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@H+](C)CC(=O)N(C)c1nccs1 ZINC001275836637 861221484 /nfs/dbraw/zinc/22/14/84/861221484.db2.gz VEGOALKNQRIEGI-BFHYXJOUSA-N 2 2 367.519 0.883 10 0 FCAELP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@@H+](C)CC(=O)N(C)c1nccs1 ZINC001275836637 861221496 /nfs/dbraw/zinc/22/14/96/861221496.db2.gz VEGOALKNQRIEGI-BFHYXJOUSA-N 2 2 367.519 0.883 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)CC(F)F ZINC001118217946 847328884 /nfs/dbraw/zinc/32/88/84/847328884.db2.gz DISHUWDUVQRLRS-OLZOCXBDSA-N 2 2 360.449 0.679 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)CC(F)F ZINC001118217946 847328894 /nfs/dbraw/zinc/32/88/94/847328894.db2.gz DISHUWDUVQRLRS-OLZOCXBDSA-N 2 2 360.449 0.679 10 0 FCAELP C[NH2+]CCCC(=O)N1CCC(NC(=O)NCCc2cn(C)c[nH+]2)CC1 ZINC001118481591 847441965 /nfs/dbraw/zinc/44/19/65/847441965.db2.gz BBJSIJOVCXUOOD-UHFFFAOYSA-N 2 2 350.467 0.252 10 0 FCAELP C[NH+](C)Cc1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)o1 ZINC001137352516 849263170 /nfs/dbraw/zinc/26/31/70/849263170.db2.gz SQVRYDBKFNNJEQ-HNNXBMFYSA-N 2 2 351.447 0.905 10 0 FCAELP Cn1c[nH+]cc1[C@H](CO)NC(=O)Cc1csc(SCC[NH+](C)C)n1 ZINC001168349500 850583958 /nfs/dbraw/zinc/58/39/58/850583958.db2.gz NJFUTOMPDDGVPS-LBPRGKRZSA-N 2 2 369.516 0.923 10 0 FCAELP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001263760301 859205801 /nfs/dbraw/zinc/20/58/01/859205801.db2.gz KYCNXHVLTDEKKD-BRWVUGGUSA-N 2 2 350.507 0.633 10 0 FCAELP CC(C)CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001263760301 859205814 /nfs/dbraw/zinc/20/58/14/859205814.db2.gz KYCNXHVLTDEKKD-BRWVUGGUSA-N 2 2 350.507 0.633 10 0 FCAELP CC(C)CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001263760301 859205825 /nfs/dbraw/zinc/20/58/25/859205825.db2.gz KYCNXHVLTDEKKD-BRWVUGGUSA-N 2 2 350.507 0.633 10 0 FCAELP CC(C)CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001263760301 859205837 /nfs/dbraw/zinc/20/58/37/859205837.db2.gz KYCNXHVLTDEKKD-BRWVUGGUSA-N 2 2 350.507 0.633 10 0 FCAELP COCC(COC)[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3C[C@H](C)C[N@@H+]3C2)CC1 ZINC001263841917 859219582 /nfs/dbraw/zinc/21/95/82/859219582.db2.gz YVOXXXGPFQBUTC-BBWFWOEESA-N 2 2 353.507 0.912 10 0 FCAELP COCC(COC)[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3C[C@H](C)C[N@H+]3C2)CC1 ZINC001263841917 859219591 /nfs/dbraw/zinc/21/95/91/859219591.db2.gz YVOXXXGPFQBUTC-BBWFWOEESA-N 2 2 353.507 0.912 10 0 FCAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2C[N@@H+](CCOCCO)CC[C@@H]2C1 ZINC001264097514 859311377 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YNPQQZHFUYKIAU-CWRNSKLLSA-N 2 2 370.519 0.841 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[N@H+]1C[C@H](C)CS(C)(=O)=O ZINC001264614402 859400534 /nfs/dbraw/zinc/40/05/34/859400534.db2.gz YNPQQZHFUYKIAU-CWRNSKLLSA-N 2 2 370.519 0.841 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CC(=O)NCC1CCC1 ZINC001264705447 859428886 /nfs/dbraw/zinc/42/88/86/859428886.db2.gz QKMMPPIFPQFXPU-ZBFHGGJFSA-N 2 2 350.507 0.966 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1CC(=O)NCC1CCC1 ZINC001264705447 859428892 /nfs/dbraw/zinc/42/88/92/859428892.db2.gz QKMMPPIFPQFXPU-ZBFHGGJFSA-N 2 2 350.507 0.966 10 0 FCAELP C[C@H](CC(=O)N[C@H]1CC[N@H+](CCN(C)S(C)(=O)=O)[C@@H]1C)n1cc[nH+]c1 ZINC001264721023 859439355 /nfs/dbraw/zinc/43/93/55/859439355.db2.gz DOOBXPZZWZDLHW-KFWWJZLASA-N 2 2 371.507 0.305 10 0 FCAELP C[C@H](CC(=O)N[C@H]1CC[N@@H+](CCN(C)S(C)(=O)=O)[C@@H]1C)n1cc[nH+]c1 ZINC001264721023 859439360 /nfs/dbraw/zinc/43/93/60/859439360.db2.gz DOOBXPZZWZDLHW-KFWWJZLASA-N 2 2 371.507 0.305 10 0 FCAELP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH+](C)CCS(C)(=O)=O)CC[N@@H+]1C ZINC001264740332 859448628 /nfs/dbraw/zinc/44/86/28/859448628.db2.gz NKUGWVZZVSNRBT-OWCLPIDISA-N 2 2 359.536 0.684 10 0 FCAELP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH+](C)CCS(C)(=O)=O)CC[N@H+]1C ZINC001264740332 859448632 /nfs/dbraw/zinc/44/86/32/859448632.db2.gz NKUGWVZZVSNRBT-OWCLPIDISA-N 2 2 359.536 0.684 10 0 FCAELP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[N@H+](C)CCS(C)(=O)=O)CC[NH+]1C ZINC001264740332 859448637 /nfs/dbraw/zinc/44/86/37/859448637.db2.gz NKUGWVZZVSNRBT-OWCLPIDISA-N 2 2 359.536 0.684 10 0 FCAELP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[N@@H+](C)CCS(C)(=O)=O)CC[NH+]1C ZINC001264740332 859448642 /nfs/dbraw/zinc/44/86/42/859448642.db2.gz NKUGWVZZVSNRBT-OWCLPIDISA-N 2 2 359.536 0.684 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCN(Cc3cnsn3)CC2)CC[N@@H+]1C ZINC001265258215 859456395 /nfs/dbraw/zinc/45/63/95/859456395.db2.gz CBJBGWNWNXFVIN-JKSUJKDBSA-N 2 2 366.535 0.502 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCN(Cc3cnsn3)CC2)CC[N@H+]1C ZINC001265258215 859456398 /nfs/dbraw/zinc/45/63/98/859456398.db2.gz CBJBGWNWNXFVIN-JKSUJKDBSA-N 2 2 366.535 0.502 10 0 FCAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[NH2+]CC(=O)NCC(F)(F)F ZINC001267990436 859519954 /nfs/dbraw/zinc/51/99/54/859519954.db2.gz GALDWUPLSLMCGS-HBNTYKKESA-N 2 2 361.368 0.534 10 0 FCAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[NH2+]CC(=O)NCC(F)(F)F ZINC001267990436 859519959 /nfs/dbraw/zinc/51/99/59/859519959.db2.gz GALDWUPLSLMCGS-HBNTYKKESA-N 2 2 361.368 0.534 10 0 FCAELP Cc1cnc(C[NH2+][C@@]2(CO)CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)o1 ZINC001281119454 863489129 /nfs/dbraw/zinc/48/91/29/863489129.db2.gz BFYKEJHIGWOHAT-RKVPGOIHSA-N 2 2 350.463 0.766 10 0 FCAELP Cc1cnc(C[NH2+][C@@]2(CO)CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)o1 ZINC001281119454 863489135 /nfs/dbraw/zinc/48/91/35/863489135.db2.gz BFYKEJHIGWOHAT-RKVPGOIHSA-N 2 2 350.463 0.766 10 0 FCAELP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CC1CCS(=O)(=O)CC1 ZINC001281722141 863689837 /nfs/dbraw/zinc/68/98/37/863689837.db2.gz OIJBUBKICGUUDY-NWANDNLSSA-N 2 2 368.503 0.822 10 0 FCAELP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CC1CCS(=O)(=O)CC1 ZINC001281722141 863689845 /nfs/dbraw/zinc/68/98/45/863689845.db2.gz OIJBUBKICGUUDY-NWANDNLSSA-N 2 2 368.503 0.822 10 0 FCAELP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001289342538 865024746 /nfs/dbraw/zinc/02/47/46/865024746.db2.gz XRXLPLYTMQGANE-QLFBSQMISA-N 2 2 353.442 0.526 10 0 FCAELP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@H]1C=CS(=O)(=O)C1 ZINC001292581841 865746352 /nfs/dbraw/zinc/74/63/52/865746352.db2.gz HHIDPLNZECXQDN-CVEARBPZSA-N 2 2 357.520 0.809 10 0 FCAELP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@H]1C=CS(=O)(=O)C1 ZINC001292581841 865746357 /nfs/dbraw/zinc/74/63/57/865746357.db2.gz HHIDPLNZECXQDN-CVEARBPZSA-N 2 2 357.520 0.809 10 0 FCAELP O=C(NCC12CCC[NH+](CCC1)C2)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001301839425 866292822 /nfs/dbraw/zinc/29/28/22/866292822.db2.gz IEQNCTHMBSVBPH-SJORKVTESA-N 2 2 351.491 0.858 10 0 FCAELP Cn1cc[nH+]c1CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001316654829 867375966 /nfs/dbraw/zinc/37/59/66/867375966.db2.gz IQPIHQSYOUWGFC-UONOGXRCSA-N 2 2 356.492 0.272 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCN(Cc3csnn3)CC2)CC[N@@H+]1C ZINC001316964397 867515219 /nfs/dbraw/zinc/51/52/19/867515219.db2.gz YMENDMLNTPPOFU-JKSUJKDBSA-N 2 2 366.535 0.502 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCN(Cc3csnn3)CC2)CC[N@H+]1C ZINC001316964397 867515227 /nfs/dbraw/zinc/51/52/27/867515227.db2.gz YMENDMLNTPPOFU-JKSUJKDBSA-N 2 2 366.535 0.502 10 0 FCAELP CS(=O)(=O)NCC[NH2+]C1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001317216928 867524990 /nfs/dbraw/zinc/52/49/90/867524990.db2.gz JYWWBMIMTMDWTG-NWINJMCUSA-N 2 2 369.491 0.079 10 0 FCAELP CS(=O)(=O)NCC[NH2+]C1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001317216928 867525012 /nfs/dbraw/zinc/52/50/12/867525012.db2.gz JYWWBMIMTMDWTG-NWINJMCUSA-N 2 2 369.491 0.079 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc2nc(COC)no2)CC[N@@H+]1C ZINC001319461319 867925072 /nfs/dbraw/zinc/92/50/72/867925072.db2.gz SOMMJMHPQDUPAB-MELADBBJSA-N 2 2 353.467 0.883 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc2nc(COC)no2)CC[N@H+]1C ZINC001319461319 867925086 /nfs/dbraw/zinc/92/50/86/867925086.db2.gz SOMMJMHPQDUPAB-MELADBBJSA-N 2 2 353.467 0.883 10 0 FCAELP C[C@H]1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C[C@H]1F ZINC001325030790 869754031 /nfs/dbraw/zinc/75/40/31/869754031.db2.gz MUDUEUXHSRYWNB-GOEBONIOSA-N 2 2 356.486 0.677 10 0 FCAELP C[C@H]1CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C[C@H]1F ZINC001325030790 869754036 /nfs/dbraw/zinc/75/40/36/869754036.db2.gz MUDUEUXHSRYWNB-GOEBONIOSA-N 2 2 356.486 0.677 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)C[NH+](CC)CC)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001344817020 871043476 /nfs/dbraw/zinc/04/34/76/871043476.db2.gz PTGMYRDJEVDLME-ARFHVFGLSA-N 2 2 354.495 0.155 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)C[NH+](CC)CC)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001344817020 871043501 /nfs/dbraw/zinc/04/35/01/871043501.db2.gz PTGMYRDJEVDLME-ARFHVFGLSA-N 2 2 354.495 0.155 10 0 FCAELP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCC3(C2)OCCO3)[C@@H](C)C1 ZINC001346560023 871905381 /nfs/dbraw/zinc/90/53/81/871905381.db2.gz YXRYEWIQOQNJPM-JKSUJKDBSA-N 2 2 354.495 0.807 10 0 FCAELP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCC3(C2)OCCO3)[C@@H](C)C1 ZINC001346560023 871905387 /nfs/dbraw/zinc/90/53/87/871905387.db2.gz YXRYEWIQOQNJPM-JKSUJKDBSA-N 2 2 354.495 0.807 10 0 FCAELP CC[NH+]1CC[C@@H](N(C)C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)[C@@H](C)C1 ZINC001346560023 871905390 /nfs/dbraw/zinc/90/53/90/871905390.db2.gz YXRYEWIQOQNJPM-JKSUJKDBSA-N 2 2 354.495 0.807 10 0 FCAELP CC[NH+]1CC[C@@H](N(C)C(=O)NCC[N@H+]2CCC3(C2)OCCO3)[C@@H](C)C1 ZINC001346560023 871905398 /nfs/dbraw/zinc/90/53/98/871905398.db2.gz YXRYEWIQOQNJPM-JKSUJKDBSA-N 2 2 354.495 0.807 10 0 FCAELP C[C@H](NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[C@H]1CN(C)CC[N@@H+]1C ZINC001346607750 871931508 /nfs/dbraw/zinc/93/15/08/871931508.db2.gz WJFFDXAXLPKQMC-GVDBMIGSSA-N 2 2 355.527 0.373 10 0 FCAELP C[C@H](NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[C@H]1CN(C)CC[N@H+]1C ZINC001346607750 871931519 /nfs/dbraw/zinc/93/15/19/871931519.db2.gz WJFFDXAXLPKQMC-GVDBMIGSSA-N 2 2 355.527 0.373 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ncnn2C(C)C)CC[N@@H+]1C ZINC001331712920 873210494 /nfs/dbraw/zinc/21/04/94/873210494.db2.gz VYVYCNLUSJCGSX-SOUVJXGZSA-N 2 2 352.483 0.156 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ncnn2C(C)C)CC[N@H+]1C ZINC001331712920 873210496 /nfs/dbraw/zinc/21/04/96/873210496.db2.gz VYVYCNLUSJCGSX-SOUVJXGZSA-N 2 2 352.483 0.156 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCc3ccns3)C2)CC1 ZINC001332831780 873680156 /nfs/dbraw/zinc/68/01/56/873680156.db2.gz WHYVJWZTEFYUNO-CYBMUJFWSA-N 2 2 365.503 0.087 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCc3ccns3)C2)CC1 ZINC001332831780 873680161 /nfs/dbraw/zinc/68/01/61/873680161.db2.gz WHYVJWZTEFYUNO-CYBMUJFWSA-N 2 2 365.503 0.087 10 0 FCAELP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295261405 214288183 /nfs/dbraw/zinc/28/81/83/214288183.db2.gz BSANQDKUZCSFOP-ROUUACIJSA-N 2 2 373.501 0.525 10 0 FCAELP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295261405 214288186 /nfs/dbraw/zinc/28/81/86/214288186.db2.gz BSANQDKUZCSFOP-ROUUACIJSA-N 2 2 373.501 0.525 10 0 FCAELP C[N@H+](CC(=O)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1)Cc1ccccc1 ZINC000333311612 215261771 /nfs/dbraw/zinc/26/17/71/215261771.db2.gz DYGIISZKIOPKGX-GOSISDBHSA-N 2 2 358.486 0.931 10 0 FCAELP C[N@@H+](CC(=O)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1)Cc1ccccc1 ZINC000333311612 215261776 /nfs/dbraw/zinc/26/17/76/215261776.db2.gz DYGIISZKIOPKGX-GOSISDBHSA-N 2 2 358.486 0.931 10 0 FCAELP CCN(CCC[NH+](C)C)C(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000284875616 213238746 /nfs/dbraw/zinc/23/87/46/213238746.db2.gz LANUAWDMBSVTAR-UHFFFAOYSA-N 2 2 358.446 0.684 10 0 FCAELP CN(C(=O)C(=O)NCCn1cc[nH+]c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000284097830 213073839 /nfs/dbraw/zinc/07/38/39/213073839.db2.gz VBMGNGOKDPVPJV-KRWDZBQOSA-N 2 2 355.442 0.732 10 0 FCAELP CN(C(=O)C(=O)NCCn1cc[nH+]c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000284097830 213073837 /nfs/dbraw/zinc/07/38/37/213073837.db2.gz VBMGNGOKDPVPJV-KRWDZBQOSA-N 2 2 355.442 0.732 10 0 FCAELP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CCSC1 ZINC000284058375 213065411 /nfs/dbraw/zinc/06/54/11/213065411.db2.gz LXDJRWIZLOEWMN-QGZVFWFLSA-N 2 2 365.503 0.669 10 0 FCAELP C[C@@H](O)[C@H]1C[N@H+](Cc2ccccc2C[NH+]2CCO[C@H]([C@H](C)O)C2)CCO1 ZINC000412080754 237161632 /nfs/dbraw/zinc/16/16/32/237161632.db2.gz KWKXBDHLNMGZQH-NFQUHZNNSA-N 2 2 364.486 0.850 10 0 FCAELP C[C@@H](O)[C@H]1C[N@@H+](Cc2ccccc2C[NH+]2CCO[C@H]([C@H](C)O)C2)CCO1 ZINC000412080754 237161634 /nfs/dbraw/zinc/16/16/34/237161634.db2.gz KWKXBDHLNMGZQH-NFQUHZNNSA-N 2 2 364.486 0.850 10 0 FCAELP C[C@@H](O)[C@H]1C[NH+](Cc2ccccc2C[N@@H+]2CCO[C@H]([C@H](C)O)C2)CCO1 ZINC000412080754 237161640 /nfs/dbraw/zinc/16/16/40/237161640.db2.gz KWKXBDHLNMGZQH-NFQUHZNNSA-N 2 2 364.486 0.850 10 0 FCAELP C[C@@H](O)[C@H]1C[NH+](Cc2ccccc2C[N@H+]2CCO[C@H]([C@H](C)O)C2)CCO1 ZINC000412080754 237161644 /nfs/dbraw/zinc/16/16/44/237161644.db2.gz KWKXBDHLNMGZQH-NFQUHZNNSA-N 2 2 364.486 0.850 10 0 FCAELP C[NH+]1CCN(C(=O)C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)CC1 ZINC000367407000 216118759 /nfs/dbraw/zinc/11/87/59/216118759.db2.gz YYRNWISIKSWVAU-QGZVFWFLSA-N 2 2 362.518 0.875 10 0 FCAELP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368156210 216208296 /nfs/dbraw/zinc/20/82/96/216208296.db2.gz AICJBDICPJUBPQ-AWEZNQCLSA-N 2 2 371.441 0.962 10 0 FCAELP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368156210 216208300 /nfs/dbraw/zinc/20/83/00/216208300.db2.gz AICJBDICPJUBPQ-AWEZNQCLSA-N 2 2 371.441 0.962 10 0 FCAELP COc1cccc([C@@H](CNC(=O)NC[C@H]2C[N@H+](C)CCO2)[NH+](C)C)c1 ZINC000246566229 209393533 /nfs/dbraw/zinc/39/35/33/209393533.db2.gz ZSUUWROMEAUNMX-DLBZAZTESA-N 2 2 350.463 0.928 10 0 FCAELP COc1cccc([C@@H](CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)[NH+](C)C)c1 ZINC000246566229 209393537 /nfs/dbraw/zinc/39/35/37/209393537.db2.gz ZSUUWROMEAUNMX-DLBZAZTESA-N 2 2 350.463 0.928 10 0 FCAELP [NH3+][C@H]1CC[C@@H](C(=O)N2CC[NH+](CCNC(=O)c3ccccc3F)CC2)C1 ZINC000237861487 209358929 /nfs/dbraw/zinc/35/89/29/209358929.db2.gz PDTSFZRPDWWGGB-CABCVRRESA-N 2 2 362.449 0.827 10 0 FCAELP CCOC1CC(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)([NH+]2CCOCC2)C1 ZINC000194991459 209331112 /nfs/dbraw/zinc/33/11/12/209331112.db2.gz CTGDQIYMVIXGED-KLHKWILBSA-N 2 2 354.495 0.602 10 0 FCAELP Cn1cc([C@H]2CC[NH+](CC(O)C[N@H+]3CC[C@H](c4cnn(C)c4)C3)C2)cn1 ZINC000194519067 209327480 /nfs/dbraw/zinc/32/74/80/209327480.db2.gz RWJMYPIGBIIGPF-HOTGVXAUSA-N 2 2 358.490 0.793 10 0 FCAELP Cn1cc([C@H]2CC[NH+](CC(O)C[N@@H+]3CC[C@H](c4cnn(C)c4)C3)C2)cn1 ZINC000194519067 209327482 /nfs/dbraw/zinc/32/74/82/209327482.db2.gz RWJMYPIGBIIGPF-HOTGVXAUSA-N 2 2 358.490 0.793 10 0 FCAELP Cn1c[nH+]cc1CCC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000193293255 209311890 /nfs/dbraw/zinc/31/18/90/209311890.db2.gz HHFUDEJIWADBPY-GOSISDBHSA-N 2 2 372.469 0.937 10 0 FCAELP CN(C(=O)NCCCN1CCCC1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368924187 216319475 /nfs/dbraw/zinc/31/94/75/216319475.db2.gz IJIHOPAMPWKEQR-KRWDZBQOSA-N 2 2 365.522 0.809 10 0 FCAELP CN(C(=O)NCCCN1CCCC1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368924187 216319479 /nfs/dbraw/zinc/31/94/79/216319479.db2.gz IJIHOPAMPWKEQR-KRWDZBQOSA-N 2 2 365.522 0.809 10 0 FCAELP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000189448969 209251898 /nfs/dbraw/zinc/25/18/98/209251898.db2.gz CXJUGMIDJWLUNR-KRWDZBQOSA-N 2 2 362.474 0.914 10 0 FCAELP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000189448969 209251895 /nfs/dbraw/zinc/25/18/95/209251895.db2.gz CXJUGMIDJWLUNR-KRWDZBQOSA-N 2 2 362.474 0.914 10 0 FCAELP NC(=O)C[NH+]1CCC(C(=O)NC[C@H](c2cccnc2)[NH+]2CCCCC2)CC1 ZINC000097696116 209192987 /nfs/dbraw/zinc/19/29/87/209192987.db2.gz TVYNBPDGXHWLMF-GOSISDBHSA-N 2 2 373.501 0.922 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)NCc3c[nH+]c(N(C)C)n3C)ccc2[nH+]1 ZINC000275893567 212112929 /nfs/dbraw/zinc/11/29/29/212112929.db2.gz JHEDWPIARFGMGE-UHFFFAOYSA-N 2 2 355.402 0.697 10 0 FCAELP Cc1nn(C)c(C)c1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000275750185 212083568 /nfs/dbraw/zinc/08/35/68/212083568.db2.gz YAHJEJXJXYYFOA-UHFFFAOYSA-N 2 2 364.494 0.460 10 0 FCAELP Cc1nn(C)c(C)c1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000275750185 212083571 /nfs/dbraw/zinc/08/35/71/212083571.db2.gz YAHJEJXJXYYFOA-UHFFFAOYSA-N 2 2 364.494 0.460 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)C[NH2+]C4)CC2)cc[nH+]1 ZINC000415072669 245345391 /nfs/dbraw/zinc/34/53/91/245345391.db2.gz YMQPYKWJFWAXBJ-UHFFFAOYSA-N 2 2 366.425 0.676 10 0 FCAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)CC1 ZINC000373393218 217014506 /nfs/dbraw/zinc/01/45/06/217014506.db2.gz KXFCRQRQESJIEK-IBGZPJMESA-N 2 2 368.522 0.992 10 0 FCAELP Cc1nc(N2CCN(C(=O)NCCCC[NH+]3CCOCC3)CC2)cc[nH+]1 ZINC000184930402 209169312 /nfs/dbraw/zinc/16/93/12/209169312.db2.gz MXXRKYHHMONJOL-UHFFFAOYSA-N 2 2 362.478 0.729 10 0 FCAELP C[NH+]1CCC(CNC(=O)[C@@]2(C)CCC(=O)NC2)([NH+]2CCCCC2)CC1 ZINC000373954552 217078535 /nfs/dbraw/zinc/07/85/35/217078535.db2.gz NCVQBRODLWWCHP-SFHVURJKSA-N 2 2 350.507 0.969 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H](C(N)=O)C(C)(C)C)CC2)CC1 ZINC000183557303 209148892 /nfs/dbraw/zinc/14/88/92/209148892.db2.gz KCWFPRQHCSGBLX-HNNXBMFYSA-N 2 2 353.511 0.744 10 0 FCAELP C[C@H](c1nc(N)nc(N(C)C)n1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182567060 209133224 /nfs/dbraw/zinc/13/32/24/209133224.db2.gz KZNIMHHBQDSPMT-JZWPEALZSA-N 2 2 374.537 0.824 10 0 FCAELP C[C@H](c1nc(N)nc(N(C)C)n1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182567060 209133227 /nfs/dbraw/zinc/13/32/27/209133227.db2.gz KZNIMHHBQDSPMT-JZWPEALZSA-N 2 2 374.537 0.824 10 0 FCAELP COC1(OC)CC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@@H]1O ZINC000931632566 674123897 /nfs/dbraw/zinc/12/38/97/674123897.db2.gz SOYAAKHFOCEWOZ-ZWKOTPCHSA-N 2 2 350.459 0.679 10 0 FCAELP COC1(OC)CC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@@H]1O ZINC000931632566 674123900 /nfs/dbraw/zinc/12/39/00/674123900.db2.gz SOYAAKHFOCEWOZ-ZWKOTPCHSA-N 2 2 350.459 0.679 10 0 FCAELP COC1(OC)CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000931632566 674123902 /nfs/dbraw/zinc/12/39/02/674123902.db2.gz SOYAAKHFOCEWOZ-ZWKOTPCHSA-N 2 2 350.459 0.679 10 0 FCAELP COC1(OC)CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000931632566 674123905 /nfs/dbraw/zinc/12/39/05/674123905.db2.gz SOYAAKHFOCEWOZ-ZWKOTPCHSA-N 2 2 350.459 0.679 10 0 FCAELP Cc1cc(N2CC[C@H]([N@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@H](C)C3)C2=O)n(C)n1 ZINC000376203246 217368710 /nfs/dbraw/zinc/36/87/10/217368710.db2.gz LSOKDDKUEAOZMS-NJAFHUGGSA-N 2 2 374.533 0.792 10 0 FCAELP Cc1cc(N2CC[C@H]([N@@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@H](C)C3)C2=O)n(C)n1 ZINC000376203246 217368712 /nfs/dbraw/zinc/36/87/12/217368712.db2.gz LSOKDDKUEAOZMS-NJAFHUGGSA-N 2 2 374.533 0.792 10 0 FCAELP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000376283914 217378805 /nfs/dbraw/zinc/37/88/05/217378805.db2.gz FXIQJUZQVMBHOJ-OAHLLOKOSA-N 2 2 353.463 0.337 10 0 FCAELP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419390808 246128972 /nfs/dbraw/zinc/12/89/72/246128972.db2.gz JHVNOGLIVMTBRJ-HDICACEKSA-N 2 2 356.470 0.514 10 0 FCAELP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419390808 246128976 /nfs/dbraw/zinc/12/89/76/246128976.db2.gz JHVNOGLIVMTBRJ-HDICACEKSA-N 2 2 356.470 0.514 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000419392735 246130923 /nfs/dbraw/zinc/13/09/23/246130923.db2.gz LOLKTJFZYIBPIJ-DLBZAZTESA-N 2 2 367.453 0.717 10 0 FCAELP C[C@@H]1C[N@@H+](CCCNC(=O)N2C[C@H](C)[NH+](CCO)C[C@@H]2C)C[C@H](C)O1 ZINC000419411098 246144599 /nfs/dbraw/zinc/14/45/99/246144599.db2.gz PIMQAKBVRQFYIQ-LUKYLMHMSA-N 2 2 356.511 0.582 10 0 FCAELP C[C@@H]1C[N@H+](CCCNC(=O)N2C[C@H](C)[NH+](CCO)C[C@@H]2C)C[C@H](C)O1 ZINC000419411098 246144604 /nfs/dbraw/zinc/14/46/04/246144604.db2.gz PIMQAKBVRQFYIQ-LUKYLMHMSA-N 2 2 356.511 0.582 10 0 FCAELP C[C@@H]1C[NH+](CCCNC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)C[C@H](C)O1 ZINC000419411098 246144615 /nfs/dbraw/zinc/14/46/15/246144615.db2.gz PIMQAKBVRQFYIQ-LUKYLMHMSA-N 2 2 356.511 0.582 10 0 FCAELP C[C@H]([C@H](C)NC(=O)C(=O)NCC1([NH3+])CCCCCC1)[NH+]1CCOCC1 ZINC000419676920 246244071 /nfs/dbraw/zinc/24/40/71/246244071.db2.gz CDBACMXYSMUJQT-LSDHHAIUSA-N 2 2 354.495 0.380 10 0 FCAELP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000419713155 246266386 /nfs/dbraw/zinc/26/63/86/246266386.db2.gz QNPNOZCBRKLSTM-LBPRGKRZSA-N 2 2 352.866 0.620 10 0 FCAELP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000419713155 246266389 /nfs/dbraw/zinc/26/63/89/246266389.db2.gz QNPNOZCBRKLSTM-LBPRGKRZSA-N 2 2 352.866 0.620 10 0 FCAELP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000419844792 246317725 /nfs/dbraw/zinc/31/77/25/246317725.db2.gz OOZXIYNTWJZWAR-HUUCEWRRSA-N 2 2 359.474 0.794 10 0 FCAELP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000471356381 250097700 /nfs/dbraw/zinc/09/77/00/250097700.db2.gz HALHQWWJDPZTTK-LJQANCHMSA-N 2 2 361.486 0.586 10 0 FCAELP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000471356381 250097702 /nfs/dbraw/zinc/09/77/02/250097702.db2.gz HALHQWWJDPZTTK-LJQANCHMSA-N 2 2 361.486 0.586 10 0 FCAELP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000472150145 250135335 /nfs/dbraw/zinc/13/53/35/250135335.db2.gz CIMSBHWMOFATRV-CABCVRRESA-N 2 2 364.494 0.941 10 0 FCAELP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000072858122 208042030 /nfs/dbraw/zinc/04/20/30/208042030.db2.gz DXSSPGUUOUNMJX-QZTJIDSGSA-N 3 2 354.539 0.733 10 0 FCAELP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000072858122 208042037 /nfs/dbraw/zinc/04/20/37/208042037.db2.gz DXSSPGUUOUNMJX-QZTJIDSGSA-N 3 2 354.539 0.733 10 0 FCAELP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000072858122 208042043 /nfs/dbraw/zinc/04/20/43/208042043.db2.gz DXSSPGUUOUNMJX-QZTJIDSGSA-N 3 2 354.539 0.733 10 0 FCAELP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000072858122 208042048 /nfs/dbraw/zinc/04/20/48/208042048.db2.gz DXSSPGUUOUNMJX-QZTJIDSGSA-N 3 2 354.539 0.733 10 0 FCAELP O=C(CN1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1)N1CCOCC1 ZINC000072857045 208042773 /nfs/dbraw/zinc/04/27/73/208042773.db2.gz DSPZRUPXFLITQJ-UHFFFAOYSA-N 2 2 369.469 0.849 10 0 FCAELP C[NH+](C)CCN1C[C@@H](C(=O)NCc2cccnc2-n2cc[nH+]c2)CC1=O ZINC000081247155 208099308 /nfs/dbraw/zinc/09/93/08/208099308.db2.gz UOVQFNMOYGQIJV-HNNXBMFYSA-N 2 2 356.430 0.294 10 0 FCAELP Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000093191666 208155602 /nfs/dbraw/zinc/15/56/02/208155602.db2.gz ADPMGYHSOIKBPD-MRXNPFEDSA-N 2 2 359.474 0.815 10 0 FCAELP Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000093191666 208155609 /nfs/dbraw/zinc/15/56/09/208155609.db2.gz ADPMGYHSOIKBPD-MRXNPFEDSA-N 2 2 359.474 0.815 10 0 FCAELP C[C@@H]1CN(C(=O)C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)C[C@H](C)O1 ZINC000106129991 208213842 /nfs/dbraw/zinc/21/38/42/208213842.db2.gz SIFRVIWGKCZPLH-CALCHBBNSA-N 2 2 363.506 0.915 10 0 FCAELP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)C[C@H](C)O1 ZINC000106129991 208213848 /nfs/dbraw/zinc/21/38/48/208213848.db2.gz SIFRVIWGKCZPLH-CALCHBBNSA-N 2 2 363.506 0.915 10 0 FCAELP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129571 208214692 /nfs/dbraw/zinc/21/46/92/208214692.db2.gz UVKQIFDKDFVPGJ-CQSZACIVSA-N 2 2 362.478 0.656 10 0 FCAELP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129571 208214696 /nfs/dbraw/zinc/21/46/96/208214696.db2.gz UVKQIFDKDFVPGJ-CQSZACIVSA-N 2 2 362.478 0.656 10 0 FCAELP O=C(C[N@@H+]1CCC[C@@H](Cn2cncn2)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000106172546 208217030 /nfs/dbraw/zinc/21/70/30/208217030.db2.gz HETCYEAZAHEIBV-QGZVFWFLSA-N 2 2 372.473 0.928 10 0 FCAELP O=C(C[N@H+]1CCC[C@@H](Cn2cncn2)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000106172546 208217037 /nfs/dbraw/zinc/21/70/37/208217037.db2.gz HETCYEAZAHEIBV-QGZVFWFLSA-N 2 2 372.473 0.928 10 0 FCAELP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106163969 208217566 /nfs/dbraw/zinc/21/75/66/208217566.db2.gz PLCISWVHBJBGCF-CQSZACIVSA-N 2 2 361.490 0.800 10 0 FCAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NC(=O)N[C@@H](C)COC)C1 ZINC000106216228 208221088 /nfs/dbraw/zinc/22/10/88/208221088.db2.gz CLQQNCZSDSOKSS-KBPBESRZSA-N 2 2 351.451 0.943 10 0 FCAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NC(=O)N[C@@H](C)COC)C1 ZINC000106216228 208221093 /nfs/dbraw/zinc/22/10/93/208221093.db2.gz CLQQNCZSDSOKSS-KBPBESRZSA-N 2 2 351.451 0.943 10 0 FCAELP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000106533764 208227388 /nfs/dbraw/zinc/22/73/88/208227388.db2.gz KWVMSRCAEHRNAP-MRXNPFEDSA-N 2 2 360.506 0.986 10 0 FCAELP Cc1cc(NC(=O)C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)on1 ZINC000109789368 208263691 /nfs/dbraw/zinc/26/36/91/208263691.db2.gz BHZALWPMAFNEID-UHFFFAOYSA-N 2 2 363.462 0.798 10 0 FCAELP C[NH+]1CCN(C(=O)CC2CC[NH+](CC(=O)NCC(F)(F)F)CC2)CC1 ZINC000109789429 208264128 /nfs/dbraw/zinc/26/41/28/208264128.db2.gz VYUWMVPQRRXMTR-UHFFFAOYSA-N 2 2 364.412 0.541 10 0 FCAELP C[NH+]1CCN(C(=O)CC2CC[NH+](CC(=O)NCc3cccnc3)CC2)CC1 ZINC000111241569 208279646 /nfs/dbraw/zinc/27/96/46/208279646.db2.gz VCOJDOWLCGBOKL-UHFFFAOYSA-N 2 2 373.501 0.574 10 0 FCAELP C[C@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000111587896 208283135 /nfs/dbraw/zinc/28/31/35/208283135.db2.gz PVSMWQFTCZIRLL-QAPCUYQASA-N 2 2 364.465 0.783 10 0 FCAELP C[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000111587896 208283138 /nfs/dbraw/zinc/28/31/38/208283138.db2.gz PVSMWQFTCZIRLL-QAPCUYQASA-N 2 2 364.465 0.783 10 0 FCAELP Cc1cc(N2CC[C@H]([N@@H+]3CCCC[C@H](N4CC[NH+](C)CC4)C3)C2=O)n(C)n1 ZINC000120236529 208377535 /nfs/dbraw/zinc/37/75/35/208377535.db2.gz IYTRCZXUCUKFMO-ROUUACIJSA-N 2 2 374.533 0.936 10 0 FCAELP Cc1cc(N2CC[C@H]([N@H+]3CCCC[C@H](N4CC[NH+](C)CC4)C3)C2=O)n(C)n1 ZINC000120236529 208377540 /nfs/dbraw/zinc/37/75/40/208377540.db2.gz IYTRCZXUCUKFMO-ROUUACIJSA-N 2 2 374.533 0.936 10 0 FCAELP Cn1cc(N2CC[C@H]([N@@H+]3CCCC[C@H](N4CC[NH+](C)CC4)C3)C2=O)cn1 ZINC000120236175 208377615 /nfs/dbraw/zinc/37/76/15/208377615.db2.gz UPKHVDDXPNYRNS-WMZOPIPTSA-N 2 2 360.506 0.627 10 0 FCAELP Cn1cc(N2CC[C@H]([N@H+]3CCCC[C@H](N4CC[NH+](C)CC4)C3)C2=O)cn1 ZINC000120236175 208377621 /nfs/dbraw/zinc/37/76/21/208377621.db2.gz UPKHVDDXPNYRNS-WMZOPIPTSA-N 2 2 360.506 0.627 10 0 FCAELP C[C@@H]1C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@@H]1N1CCOCC1 ZINC000180231948 209092069 /nfs/dbraw/zinc/09/20/69/209092069.db2.gz RGADAVRDNPWEAN-AEFFLSMTSA-N 2 2 360.506 0.381 10 0 FCAELP C[C@@H]1C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@@H]1N1CCOCC1 ZINC000180231948 209092074 /nfs/dbraw/zinc/09/20/74/209092074.db2.gz RGADAVRDNPWEAN-AEFFLSMTSA-N 2 2 360.506 0.381 10 0 FCAELP CC(C)COC[C@@H](O)C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000178609664 209055026 /nfs/dbraw/zinc/05/50/26/209055026.db2.gz UBAFGWVVVBXQEG-RBUKOAKNSA-N 2 2 357.539 0.747 10 0 FCAELP CC(C)COC[C@@H](O)C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000178609664 209055028 /nfs/dbraw/zinc/05/50/28/209055028.db2.gz UBAFGWVVVBXQEG-RBUKOAKNSA-N 2 2 357.539 0.747 10 0 FCAELP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@@H]3C[NH+]4CCN3CC4)CC2)c1 ZINC000178970090 209069684 /nfs/dbraw/zinc/06/96/84/209069684.db2.gz RBHAJSUSRZTWNL-HXUWFJFHSA-N 2 2 371.529 0.623 10 0 FCAELP C[C@@H]1C[N@H+](CCCCCN2CC[NH+](CCO)[C@H](C)C2)CCN1CCO ZINC000187670381 229243887 /nfs/dbraw/zinc/24/38/87/229243887.db2.gz OBCQOGJZVLQOOC-RTBURBONSA-N 2 2 356.555 0.154 10 0 FCAELP C[C@@H]1C[N@@H+](CCCCCN2CC[NH+](CCO)[C@H](C)C2)CCN1CCO ZINC000187670381 229243891 /nfs/dbraw/zinc/24/38/91/229243891.db2.gz OBCQOGJZVLQOOC-RTBURBONSA-N 2 2 356.555 0.154 10 0 FCAELP C[C@@H]1C[NH+](CCCCCN2CC[N@H+](CCO)[C@H](C)C2)CCN1CCO ZINC000187670381 229243896 /nfs/dbraw/zinc/24/38/96/229243896.db2.gz OBCQOGJZVLQOOC-RTBURBONSA-N 2 2 356.555 0.154 10 0 FCAELP C[C@@H]1C[NH+](CCCCCN2CC[N@@H+](CCO)[C@H](C)C2)CCN1CCO ZINC000187670381 229243900 /nfs/dbraw/zinc/24/39/00/229243900.db2.gz OBCQOGJZVLQOOC-RTBURBONSA-N 2 2 356.555 0.154 10 0 FCAELP COCC[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000410456492 230086692 /nfs/dbraw/zinc/08/66/92/230086692.db2.gz ZIPPVFHVRZCYDS-QGZVFWFLSA-N 2 2 366.506 0.254 10 0 FCAELP CN(C(=O)NCCCN1CCOC1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364277680 488943024 /nfs/dbraw/zinc/94/30/24/488943024.db2.gz DJGQQDBAUBVDDZ-INIZCTEOSA-N 2 2 367.494 0.639 10 0 FCAELP CN(C(=O)NCCCN1CCOC1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364277680 488943026 /nfs/dbraw/zinc/94/30/26/488943026.db2.gz DJGQQDBAUBVDDZ-INIZCTEOSA-N 2 2 367.494 0.639 10 0 FCAELP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935663609 674325568 /nfs/dbraw/zinc/32/55/68/674325568.db2.gz XKFURXHQACHUCC-KSZLIROESA-N 2 2 351.491 0.999 10 0 FCAELP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935663609 674325573 /nfs/dbraw/zinc/32/55/73/674325573.db2.gz XKFURXHQACHUCC-KSZLIROESA-N 2 2 351.491 0.999 10 0 FCAELP Cn1cc[nH+]c1[C@H]1CN(C(=O)NC[C@H]2CCc3[nH+]ccn3C2)CCN1C ZINC000279805842 488969808 /nfs/dbraw/zinc/96/98/08/488969808.db2.gz DYOVCIKXLOTZQP-HUUCEWRRSA-N 2 2 357.462 0.877 10 0 FCAELP O[C@H](CN1CC[NH+](CCCOCC(F)(F)F)CC1)C[NH+]1CCOCC1 ZINC000064518275 488313173 /nfs/dbraw/zinc/31/31/73/488313173.db2.gz FXFVZZSCVLTORP-OAHLLOKOSA-N 2 2 369.428 0.266 10 0 FCAELP CC(=O)NC[C@H]1CCC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000067416299 488350490 /nfs/dbraw/zinc/35/04/90/488350490.db2.gz ZIHYGNLDCYKZHP-MSOLQXFVSA-N 2 2 368.522 0.308 10 0 FCAELP CC(=O)NC[C@H]1CCC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000067416299 488350491 /nfs/dbraw/zinc/35/04/91/488350491.db2.gz ZIHYGNLDCYKZHP-MSOLQXFVSA-N 2 2 368.522 0.308 10 0 FCAELP CC(=O)NC[C@H]1CCC[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000067416299 488350492 /nfs/dbraw/zinc/35/04/92/488350492.db2.gz ZIHYGNLDCYKZHP-MSOLQXFVSA-N 2 2 368.522 0.308 10 0 FCAELP CC(=O)NC[C@H]1CCC[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000067416299 488350493 /nfs/dbraw/zinc/35/04/93/488350493.db2.gz ZIHYGNLDCYKZHP-MSOLQXFVSA-N 2 2 368.522 0.308 10 0 FCAELP CCn1cc(C[N@H+](C)CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)cn1 ZINC000072981885 488383545 /nfs/dbraw/zinc/38/35/45/488383545.db2.gz YXWCWFZDWOWQOB-KRWDZBQOSA-N 2 2 351.495 0.808 10 0 FCAELP CCn1cc(C[N@@H+](C)CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)cn1 ZINC000072981885 488383546 /nfs/dbraw/zinc/38/35/46/488383546.db2.gz YXWCWFZDWOWQOB-KRWDZBQOSA-N 2 2 351.495 0.808 10 0 FCAELP CCn1cc(C[NH+](C)CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cn1 ZINC000072981885 488383547 /nfs/dbraw/zinc/38/35/47/488383547.db2.gz YXWCWFZDWOWQOB-KRWDZBQOSA-N 2 2 351.495 0.808 10 0 FCAELP CCn1cc(C[NH+](C)CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cn1 ZINC000072981885 488383548 /nfs/dbraw/zinc/38/35/48/488383548.db2.gz YXWCWFZDWOWQOB-KRWDZBQOSA-N 2 2 351.495 0.808 10 0 FCAELP C[C@H](CNC(=O)NCCCC[NH+]1CCOCC1)CN1CC[NH+](C)CC1 ZINC000073676388 488385663 /nfs/dbraw/zinc/38/56/63/488385663.db2.gz BKSPWRKSBNREQO-QGZVFWFLSA-N 2 2 355.527 0.282 10 0 FCAELP CC[NH+]1CCN(CC(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000073797213 488386650 /nfs/dbraw/zinc/38/66/50/488386650.db2.gz KSEAMQIBGYZJTF-SFHVURJKSA-N 2 2 374.533 0.346 10 0 FCAELP CCCCNC(=O)NC(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182590862 488388746 /nfs/dbraw/zinc/38/87/46/488388746.db2.gz GJZSXULMEIEKDG-SJPCQFCGSA-N 2 2 365.522 0.855 10 0 FCAELP CCCCNC(=O)NC(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182590862 488388748 /nfs/dbraw/zinc/38/87/48/488388748.db2.gz GJZSXULMEIEKDG-SJPCQFCGSA-N 2 2 365.522 0.855 10 0 FCAELP CC(C)CNC(=O)NC(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182621724 488389089 /nfs/dbraw/zinc/38/90/89/488389089.db2.gz LNQCDRRJIQGDKX-SJPCQFCGSA-N 2 2 365.522 0.711 10 0 FCAELP CC(C)CNC(=O)NC(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182621724 488389092 /nfs/dbraw/zinc/38/90/92/488389092.db2.gz LNQCDRRJIQGDKX-SJPCQFCGSA-N 2 2 365.522 0.711 10 0 FCAELP C[C@@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@@H]1C ZINC000185316677 488400401 /nfs/dbraw/zinc/40/04/01/488400401.db2.gz MEWYPBYQMGOOJU-JKSUJKDBSA-N 2 2 355.527 0.109 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCN(C(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000268539077 488429308 /nfs/dbraw/zinc/42/93/08/488429308.db2.gz GCCASZXVZCNZBQ-UHFFFAOYSA-N 2 2 372.473 0.682 10 0 FCAELP C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)[C@@H](C)C1 ZINC000194009596 488430884 /nfs/dbraw/zinc/43/08/84/488430884.db2.gz RVTLUFSHKFDBMG-JKSUJKDBSA-N 2 2 361.490 0.361 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000081047715 488439241 /nfs/dbraw/zinc/43/92/41/488439241.db2.gz XNJIAJMVJCRJAZ-UKRRQHHQSA-N 2 2 367.412 0.459 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000081047715 488439243 /nfs/dbraw/zinc/43/92/43/488439243.db2.gz XNJIAJMVJCRJAZ-UKRRQHHQSA-N 2 2 367.412 0.459 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000081047715 488439244 /nfs/dbraw/zinc/43/92/44/488439244.db2.gz XNJIAJMVJCRJAZ-UKRRQHHQSA-N 2 2 367.412 0.459 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000081047715 488439247 /nfs/dbraw/zinc/43/92/47/488439247.db2.gz XNJIAJMVJCRJAZ-UKRRQHHQSA-N 2 2 367.412 0.459 10 0 FCAELP O=C(Cn1cc[nH+]c1)NC[C@H](NC(=O)Cn1cc[nH+]c1)C1CCCCC1 ZINC000081043053 488439478 /nfs/dbraw/zinc/43/94/78/488439478.db2.gz DMEVDUWYDIFCOS-INIZCTEOSA-N 2 2 358.446 0.961 10 0 FCAELP CC[NH+]1CCC(CCNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000083735273 488448532 /nfs/dbraw/zinc/44/85/32/488448532.db2.gz OYBUCJAVVIPKGD-KRWDZBQOSA-N 2 2 356.511 0.443 10 0 FCAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCCCN(C)S(C)(=O)=O)[C@@H](C)C1 ZINC000245419114 488463809 /nfs/dbraw/zinc/46/38/09/488463809.db2.gz GXKXQMFTLRIVMR-LSDHHAIUSA-N 2 2 362.540 0.046 10 0 FCAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCCCN(C)S(C)(=O)=O)[C@@H](C)C1 ZINC000245419114 488463810 /nfs/dbraw/zinc/46/38/10/488463810.db2.gz GXKXQMFTLRIVMR-LSDHHAIUSA-N 2 2 362.540 0.046 10 0 FCAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCCCN(C)S(C)(=O)=O)[C@@H](C)C1 ZINC000245419114 488463811 /nfs/dbraw/zinc/46/38/11/488463811.db2.gz GXKXQMFTLRIVMR-LSDHHAIUSA-N 2 2 362.540 0.046 10 0 FCAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCCCN(C)S(C)(=O)=O)[C@@H](C)C1 ZINC000245419114 488463812 /nfs/dbraw/zinc/46/38/12/488463812.db2.gz GXKXQMFTLRIVMR-LSDHHAIUSA-N 2 2 362.540 0.046 10 0 FCAELP CNC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000245917194 488467392 /nfs/dbraw/zinc/46/73/92/488467392.db2.gz RYXCLKZBFBQQHJ-CVEARBPZSA-N 2 2 354.495 0.060 10 0 FCAELP CNC(=O)[C@@H]1CCCC[N@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000245917194 488467394 /nfs/dbraw/zinc/46/73/94/488467394.db2.gz RYXCLKZBFBQQHJ-CVEARBPZSA-N 2 2 354.495 0.060 10 0 FCAELP CNC(=O)[C@@H]1CCCC[NH+]1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000245917194 488467395 /nfs/dbraw/zinc/46/73/95/488467395.db2.gz RYXCLKZBFBQQHJ-CVEARBPZSA-N 2 2 354.495 0.060 10 0 FCAELP CNC(=O)[C@@H]1CCCC[NH+]1CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000245917194 488467397 /nfs/dbraw/zinc/46/73/97/488467397.db2.gz RYXCLKZBFBQQHJ-CVEARBPZSA-N 2 2 354.495 0.060 10 0 FCAELP CNC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000245917197 488467468 /nfs/dbraw/zinc/46/74/68/488467468.db2.gz RYXCLKZBFBQQHJ-HOTGVXAUSA-N 2 2 354.495 0.060 10 0 FCAELP CNC(=O)[C@@H]1CCCC[N@H+]1CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000245917197 488467470 /nfs/dbraw/zinc/46/74/70/488467470.db2.gz RYXCLKZBFBQQHJ-HOTGVXAUSA-N 2 2 354.495 0.060 10 0 FCAELP CNC(=O)[C@@H]1CCCC[NH+]1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000245917197 488467472 /nfs/dbraw/zinc/46/74/72/488467472.db2.gz RYXCLKZBFBQQHJ-HOTGVXAUSA-N 2 2 354.495 0.060 10 0 FCAELP CNC(=O)[C@@H]1CCCC[NH+]1CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000245917197 488467474 /nfs/dbraw/zinc/46/74/74/488467474.db2.gz RYXCLKZBFBQQHJ-HOTGVXAUSA-N 2 2 354.495 0.060 10 0 FCAELP CC[C@@H]1CN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000248488971 488497660 /nfs/dbraw/zinc/49/76/60/488497660.db2.gz MSZVZHOEGIAFFB-BRWVUGGUSA-N 2 2 355.527 0.109 10 0 FCAELP CC[C@@H]1CN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC[N@H+]1C[C@@H](C)O ZINC000248488971 488497661 /nfs/dbraw/zinc/49/76/61/488497661.db2.gz MSZVZHOEGIAFFB-BRWVUGGUSA-N 2 2 355.527 0.109 10 0 FCAELP CC(C)[C@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000248591955 488498992 /nfs/dbraw/zinc/49/89/92/488498992.db2.gz HGMSFZTYGBLPDT-SQNIBIBYSA-N 2 2 369.554 0.355 10 0 FCAELP CC(C)[C@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000248591955 488498995 /nfs/dbraw/zinc/49/89/95/488498995.db2.gz HGMSFZTYGBLPDT-SQNIBIBYSA-N 2 2 369.554 0.355 10 0 FCAELP CC(C)[C@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000248591955 488498997 /nfs/dbraw/zinc/49/89/97/488498997.db2.gz HGMSFZTYGBLPDT-SQNIBIBYSA-N 2 2 369.554 0.355 10 0 FCAELP CC(C)[C@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000248591955 488498999 /nfs/dbraw/zinc/49/89/99/488498999.db2.gz HGMSFZTYGBLPDT-SQNIBIBYSA-N 2 2 369.554 0.355 10 0 FCAELP CC(C)[C@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000248591949 488499216 /nfs/dbraw/zinc/49/92/16/488499216.db2.gz HGMSFZTYGBLPDT-BZSNNMDCSA-N 2 2 369.554 0.355 10 0 FCAELP CC(C)[C@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000248591949 488499217 /nfs/dbraw/zinc/49/92/17/488499217.db2.gz HGMSFZTYGBLPDT-BZSNNMDCSA-N 2 2 369.554 0.355 10 0 FCAELP CC(C)[C@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000248591949 488499218 /nfs/dbraw/zinc/49/92/18/488499218.db2.gz HGMSFZTYGBLPDT-BZSNNMDCSA-N 2 2 369.554 0.355 10 0 FCAELP CC(C)[C@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000248591949 488499219 /nfs/dbraw/zinc/49/92/19/488499219.db2.gz HGMSFZTYGBLPDT-BZSNNMDCSA-N 2 2 369.554 0.355 10 0 FCAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCN3CCO[C@@H](C)C3)CC2)C1 ZINC000249297553 488508244 /nfs/dbraw/zinc/50/82/44/488508244.db2.gz RGRHYZINKMNWHN-OALUTQOASA-N 2 2 354.539 0.434 10 0 FCAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCN3CCO[C@@H](C)C3)CC2)C1 ZINC000249297553 488508248 /nfs/dbraw/zinc/50/82/48/488508248.db2.gz RGRHYZINKMNWHN-OALUTQOASA-N 2 2 354.539 0.434 10 0 FCAELP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(CC[NH+]3CCO[C@@H](C)C3)CC2)C1 ZINC000249297553 488508250 /nfs/dbraw/zinc/50/82/50/488508250.db2.gz RGRHYZINKMNWHN-OALUTQOASA-N 2 2 354.539 0.434 10 0 FCAELP CC(C)[N@H+]1CCO[C@@H](CN2CCN(CC[NH+]3CCO[C@@H](C)C3)CC2)C1 ZINC000249297553 488508254 /nfs/dbraw/zinc/50/82/54/488508254.db2.gz RGRHYZINKMNWHN-OALUTQOASA-N 2 2 354.539 0.434 10 0 FCAELP CC(C)[NH+]1CCO[C@@H](CN2CCN(CC[N@@H+]3CCO[C@@H](C)C3)CC2)C1 ZINC000249297553 488508256 /nfs/dbraw/zinc/50/82/56/488508256.db2.gz RGRHYZINKMNWHN-OALUTQOASA-N 2 2 354.539 0.434 10 0 FCAELP CC(C)[NH+]1CCO[C@@H](CN2CCN(CC[N@H+]3CCO[C@@H](C)C3)CC2)C1 ZINC000249297553 488508257 /nfs/dbraw/zinc/50/82/57/488508257.db2.gz RGRHYZINKMNWHN-OALUTQOASA-N 2 2 354.539 0.434 10 0 FCAELP CC(C)CNC(=O)NC(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130805 488511911 /nfs/dbraw/zinc/51/19/11/488511911.db2.gz VHZYRWUMLPYJFM-UHFFFAOYSA-N 2 2 364.494 0.761 10 0 FCAELP CC(C)CNC(=O)NC(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130805 488511912 /nfs/dbraw/zinc/51/19/12/488511912.db2.gz VHZYRWUMLPYJFM-UHFFFAOYSA-N 2 2 364.494 0.761 10 0 FCAELP C[C@H]1C[N@H+](CCCCCN2CC[NH+](CCO)[C@@H](C)C2)CCN1CCO ZINC000249570105 488512229 /nfs/dbraw/zinc/51/22/29/488512229.db2.gz OBCQOGJZVLQOOC-OALUTQOASA-N 2 2 356.555 0.154 10 0 FCAELP C[C@H]1C[N@@H+](CCCCCN2CC[NH+](CCO)[C@@H](C)C2)CCN1CCO ZINC000249570105 488512230 /nfs/dbraw/zinc/51/22/30/488512230.db2.gz OBCQOGJZVLQOOC-OALUTQOASA-N 2 2 356.555 0.154 10 0 FCAELP C[C@H]1C[NH+](CCCCCN2CC[N@H+](CCO)[C@@H](C)C2)CCN1CCO ZINC000249570105 488512231 /nfs/dbraw/zinc/51/22/31/488512231.db2.gz OBCQOGJZVLQOOC-OALUTQOASA-N 2 2 356.555 0.154 10 0 FCAELP C[C@H]1C[NH+](CCCCCN2CC[N@@H+](CCO)[C@@H](C)C2)CCN1CCO ZINC000249570105 488512232 /nfs/dbraw/zinc/51/22/32/488512232.db2.gz OBCQOGJZVLQOOC-OALUTQOASA-N 2 2 356.555 0.154 10 0 FCAELP O=C(NC[C@@H](O)C[NH+]1CCOCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000249771410 488514752 /nfs/dbraw/zinc/51/47/52/488514752.db2.gz LDDOTCHVBGTNBF-RBUKOAKNSA-N 2 2 361.486 0.708 10 0 FCAELP O=C(NC[C@@H](O)C[NH+]1CCOCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000249771410 488514755 /nfs/dbraw/zinc/51/47/55/488514755.db2.gz LDDOTCHVBGTNBF-RBUKOAKNSA-N 2 2 361.486 0.708 10 0 FCAELP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000249757922 488514876 /nfs/dbraw/zinc/51/48/76/488514876.db2.gz IUOKMOYNYNADQV-WBVHZDCISA-N 2 2 356.536 0.978 10 0 FCAELP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000249757922 488514878 /nfs/dbraw/zinc/51/48/78/488514878.db2.gz IUOKMOYNYNADQV-WBVHZDCISA-N 2 2 356.536 0.978 10 0 FCAELP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261783459 488535615 /nfs/dbraw/zinc/53/56/15/488535615.db2.gz PNYNYMWENIGWMR-BRWVUGGUSA-N 2 2 350.507 0.907 10 0 FCAELP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CC(=O)NC(C)(C)C ZINC000115642747 488545026 /nfs/dbraw/zinc/54/50/26/488545026.db2.gz GMOMBAPXWGGDRJ-UHFFFAOYSA-N 2 2 361.490 0.967 10 0 FCAELP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CC(=O)NC(C)(C)C ZINC000115642747 488545028 /nfs/dbraw/zinc/54/50/28/488545028.db2.gz GMOMBAPXWGGDRJ-UHFFFAOYSA-N 2 2 361.490 0.967 10 0 FCAELP COCC[N@@H+]1CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC000117474364 488551445 /nfs/dbraw/zinc/55/14/45/488551445.db2.gz PALHRVIKDYQWKV-SJORKVTESA-N 2 2 356.511 0.705 10 0 FCAELP COCC[N@H+]1CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC000117474364 488551448 /nfs/dbraw/zinc/55/14/48/488551448.db2.gz PALHRVIKDYQWKV-SJORKVTESA-N 2 2 356.511 0.705 10 0 FCAELP O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262401917 488568541 /nfs/dbraw/zinc/56/85/41/488568541.db2.gz YQXGOOPAJCFWPZ-ZBFHGGJFSA-N 2 2 357.414 0.222 10 0 FCAELP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000272297962 488572080 /nfs/dbraw/zinc/57/20/80/488572080.db2.gz ICDVNDFBOXQZLB-QGZVFWFLSA-N 2 2 368.441 0.646 10 0 FCAELP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000272297962 488572081 /nfs/dbraw/zinc/57/20/81/488572081.db2.gz ICDVNDFBOXQZLB-QGZVFWFLSA-N 2 2 368.441 0.646 10 0 FCAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC[N@@H+]1C ZINC000123559468 488586325 /nfs/dbraw/zinc/58/63/25/488586325.db2.gz VSPIAEPTWCQRLS-CVEARBPZSA-N 2 2 362.474 0.979 10 0 FCAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC[N@H+]1C ZINC000123559468 488586326 /nfs/dbraw/zinc/58/63/26/488586326.db2.gz VSPIAEPTWCQRLS-CVEARBPZSA-N 2 2 362.474 0.979 10 0 FCAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC[NH+]1C ZINC000123559468 488586329 /nfs/dbraw/zinc/58/63/29/488586329.db2.gz VSPIAEPTWCQRLS-CVEARBPZSA-N 2 2 362.474 0.979 10 0 FCAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC[NH+]1C ZINC000123559468 488586330 /nfs/dbraw/zinc/58/63/30/488586330.db2.gz VSPIAEPTWCQRLS-CVEARBPZSA-N 2 2 362.474 0.979 10 0 FCAELP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)c1 ZINC000263230781 488607115 /nfs/dbraw/zinc/60/71/15/488607115.db2.gz NJNIPJPVLGCCDW-AWEZNQCLSA-N 2 2 354.401 0.591 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000150776585 488700076 /nfs/dbraw/zinc/70/00/76/488700076.db2.gz QGVZFPYNLAAGPW-MOPGFXCFSA-N 3 2 366.550 0.877 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000150776585 488700078 /nfs/dbraw/zinc/70/00/78/488700078.db2.gz QGVZFPYNLAAGPW-MOPGFXCFSA-N 3 2 366.550 0.877 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000150776585 488700081 /nfs/dbraw/zinc/70/00/81/488700081.db2.gz QGVZFPYNLAAGPW-MOPGFXCFSA-N 3 2 366.550 0.877 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000150776585 488700082 /nfs/dbraw/zinc/70/00/82/488700082.db2.gz QGVZFPYNLAAGPW-MOPGFXCFSA-N 3 2 366.550 0.877 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](CCO)Cc2cccnc2)C1 ZINC000152319849 488716158 /nfs/dbraw/zinc/71/61/58/488716158.db2.gz IMDQPGOGOFDYLY-SFHVURJKSA-N 2 2 364.490 0.349 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](CCO)Cc2cccnc2)C1 ZINC000152319849 488716160 /nfs/dbraw/zinc/71/61/60/488716160.db2.gz IMDQPGOGOFDYLY-SFHVURJKSA-N 2 2 364.490 0.349 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](CCO)Cc2cccnc2)C1 ZINC000152319849 488716162 /nfs/dbraw/zinc/71/61/62/488716162.db2.gz IMDQPGOGOFDYLY-SFHVURJKSA-N 2 2 364.490 0.349 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](CCO)Cc2cccnc2)C1 ZINC000152319849 488716164 /nfs/dbraw/zinc/71/61/64/488716164.db2.gz IMDQPGOGOFDYLY-SFHVURJKSA-N 2 2 364.490 0.349 10 0 FCAELP C[C@H](CNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[N@H+](C)C1CC1 ZINC000159101062 488783031 /nfs/dbraw/zinc/78/30/31/488783031.db2.gz KINDPMCNSGFSBZ-OAHLLOKOSA-N 2 2 365.522 0.713 10 0 FCAELP C[C@H](CNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[N@@H+](C)C1CC1 ZINC000159101062 488783032 /nfs/dbraw/zinc/78/30/32/488783032.db2.gz KINDPMCNSGFSBZ-OAHLLOKOSA-N 2 2 365.522 0.713 10 0 FCAELP CNC(=O)[C@H]1CCCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000159174823 488783813 /nfs/dbraw/zinc/78/38/13/488783813.db2.gz NROWIKKEIRZXGR-MRXNPFEDSA-N 2 2 365.522 0.857 10 0 FCAELP Cc1ccc(OC[C@H](O)C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000162547291 488803495 /nfs/dbraw/zinc/80/34/95/488803495.db2.gz MSZNVFIUHFECCX-IEBWSBKVSA-N 2 2 361.486 0.973 10 0 FCAELP Cc1ccc(OC[C@H](O)C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000162547291 488803497 /nfs/dbraw/zinc/80/34/97/488803497.db2.gz MSZNVFIUHFECCX-IEBWSBKVSA-N 2 2 361.486 0.973 10 0 FCAELP CC[C@@H]1CN(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC000163417067 488807413 /nfs/dbraw/zinc/80/74/13/488807413.db2.gz VMRVDBNTNMCZAD-IAGOWNOFSA-N 2 2 356.511 0.707 10 0 FCAELP CC[C@@H]1CN(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC000163417067 488807415 /nfs/dbraw/zinc/80/74/15/488807415.db2.gz VMRVDBNTNMCZAD-IAGOWNOFSA-N 2 2 356.511 0.707 10 0 FCAELP O=C(N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000168300795 488812810 /nfs/dbraw/zinc/81/28/10/488812810.db2.gz DQIDOSMJCZGXIL-CRAIPNDOSA-N 2 2 351.422 0.272 10 0 FCAELP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@@H]([NH+](C)C)C3)c2)CC1 ZINC000170843231 488816767 /nfs/dbraw/zinc/81/67/67/488816767.db2.gz ARSPADSWTLOMJE-GOSISDBHSA-N 2 2 373.501 0.535 10 0 FCAELP CC(C)(CNC(=O)C[N@@H+]1CCC[C@H](n2cncn2)C1)[NH+]1CCOCC1 ZINC000171524935 488823923 /nfs/dbraw/zinc/82/39/23/488823923.db2.gz VUEZCBOENTVCMS-HNNXBMFYSA-N 2 2 350.467 0.142 10 0 FCAELP CC(C)(CNC(=O)C[N@H+]1CCC[C@H](n2cncn2)C1)[NH+]1CCOCC1 ZINC000171524935 488823924 /nfs/dbraw/zinc/82/39/24/488823924.db2.gz VUEZCBOENTVCMS-HNNXBMFYSA-N 2 2 350.467 0.142 10 0 FCAELP CCn1cc(C[N@@H+]2CCCN(C(=O)NC[C@@H]3C[NH+](C)CCO3)CC2)cn1 ZINC000171853612 488827502 /nfs/dbraw/zinc/82/75/02/488827502.db2.gz AVRQBZRZEALWAB-QGZVFWFLSA-N 2 2 364.494 0.451 10 0 FCAELP CCn1cc(C[N@H+]2CCCN(C(=O)NC[C@@H]3C[NH+](C)CCO3)CC2)cn1 ZINC000171853612 488827503 /nfs/dbraw/zinc/82/75/03/488827503.db2.gz AVRQBZRZEALWAB-QGZVFWFLSA-N 2 2 364.494 0.451 10 0 FCAELP CCn1cc(C[NH+]2CCCN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)CC2)cn1 ZINC000171853612 488827505 /nfs/dbraw/zinc/82/75/05/488827505.db2.gz AVRQBZRZEALWAB-QGZVFWFLSA-N 2 2 364.494 0.451 10 0 FCAELP CCn1cc(C[NH+]2CCCN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)CC2)cn1 ZINC000171853612 488827507 /nfs/dbraw/zinc/82/75/07/488827507.db2.gz AVRQBZRZEALWAB-QGZVFWFLSA-N 2 2 364.494 0.451 10 0 FCAELP CN(Cc1cnn(C)c1)C(=O)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000171921571 488828773 /nfs/dbraw/zinc/82/87/73/488828773.db2.gz ZMJDKGZJHGQDEU-GOSISDBHSA-N 2 2 362.522 0.480 10 0 FCAELP CN(Cc1cnn(C)c1)C(=O)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000171921571 488828775 /nfs/dbraw/zinc/82/87/75/488828775.db2.gz ZMJDKGZJHGQDEU-GOSISDBHSA-N 2 2 362.522 0.480 10 0 FCAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000172071720 488830224 /nfs/dbraw/zinc/83/02/24/488830224.db2.gz VBXFOBARCUMMAP-INIZCTEOSA-N 2 2 364.494 0.195 10 0 FCAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000172071720 488830226 /nfs/dbraw/zinc/83/02/26/488830226.db2.gz VBXFOBARCUMMAP-INIZCTEOSA-N 2 2 364.494 0.195 10 0 FCAELP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172744155 488837266 /nfs/dbraw/zinc/83/72/66/488837266.db2.gz FUVSCOQCAXWKII-HXUWFJFHSA-N 2 2 372.513 0.737 10 0 FCAELP Cn1cc(S(=O)(=O)NCC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cn1 ZINC000173779623 488845169 /nfs/dbraw/zinc/84/51/69/488845169.db2.gz ZVWSFGRTNPJBRR-AWEZNQCLSA-N 2 2 364.475 0.527 10 0 FCAELP Cn1cc(S(=O)(=O)NCC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cn1 ZINC000173779623 488845170 /nfs/dbraw/zinc/84/51/70/488845170.db2.gz ZVWSFGRTNPJBRR-AWEZNQCLSA-N 2 2 364.475 0.527 10 0 FCAELP C[C@H]1CN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C[C@H]1[NH+]1CCOCC1 ZINC000173846125 488845796 /nfs/dbraw/zinc/84/57/96/488845796.db2.gz GMAWXDDJNDCGGT-FUHWJXTLSA-N 2 2 373.501 0.626 10 0 FCAELP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174260468 488848040 /nfs/dbraw/zinc/84/80/40/488848040.db2.gz KPLCFTUQRITPFP-SJLPKXTDSA-N 2 2 366.531 0.850 10 0 FCAELP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174260497 488848047 /nfs/dbraw/zinc/84/80/47/488848047.db2.gz KPLCFTUQRITPFP-AEFFLSMTSA-N 2 2 366.531 0.850 10 0 FCAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)C(=O)NCCCOC)nc[nH+]1 ZINC000174287964 488848364 /nfs/dbraw/zinc/84/83/64/488848364.db2.gz PZJWBYCSLMTMJV-UONOGXRCSA-N 2 2 350.467 0.618 10 0 FCAELP C[NH+]1CCC(C(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)CC1 ZINC000174958181 488852541 /nfs/dbraw/zinc/85/25/41/488852541.db2.gz UIJOUKSFCNJUJA-SFHVURJKSA-N 2 2 361.486 0.912 10 0 FCAELP C[N@@H+]1CCO[C@@H](CNC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000175413063 488854097 /nfs/dbraw/zinc/85/40/97/488854097.db2.gz MHJOOFVNZLHPDX-KRWDZBQOSA-N 2 2 368.522 0.899 10 0 FCAELP C[N@H+]1CCO[C@@H](CNC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000175413063 488854098 /nfs/dbraw/zinc/85/40/98/488854098.db2.gz MHJOOFVNZLHPDX-KRWDZBQOSA-N 2 2 368.522 0.899 10 0 FCAELP C[C@H]1CN(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1[NH+]1CCOCC1 ZINC000175649559 488854800 /nfs/dbraw/zinc/85/48/00/488854800.db2.gz ZGRIFCLCTRTUIM-WNRNVDISSA-N 2 2 368.522 0.848 10 0 FCAELP C[C@H]1CN(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1[NH+]1CCOCC1 ZINC000175649559 488854801 /nfs/dbraw/zinc/85/48/01/488854801.db2.gz ZGRIFCLCTRTUIM-WNRNVDISSA-N 2 2 368.522 0.848 10 0 FCAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H](C)C1 ZINC000175720330 488855175 /nfs/dbraw/zinc/85/51/75/488855175.db2.gz LHQMUZZSZMALEO-SJORKVTESA-N 3 2 354.539 0.876 10 0 FCAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H](C)C1 ZINC000175720330 488855176 /nfs/dbraw/zinc/85/51/76/488855176.db2.gz LHQMUZZSZMALEO-SJORKVTESA-N 3 2 354.539 0.876 10 0 FCAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H](C)C1 ZINC000175720330 488855177 /nfs/dbraw/zinc/85/51/77/488855177.db2.gz LHQMUZZSZMALEO-SJORKVTESA-N 3 2 354.539 0.876 10 0 FCAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H](C)C1 ZINC000175720330 488855178 /nfs/dbraw/zinc/85/51/78/488855178.db2.gz LHQMUZZSZMALEO-SJORKVTESA-N 3 2 354.539 0.876 10 0 FCAELP CC[N@@H+]1CC[C@H](N(C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H](C)C1 ZINC000175720330 488855179 /nfs/dbraw/zinc/85/51/79/488855179.db2.gz LHQMUZZSZMALEO-SJORKVTESA-N 2 2 354.539 0.876 10 0 FCAELP CC[N@H+]1CC[C@H](N(C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H](C)C1 ZINC000175720330 488855180 /nfs/dbraw/zinc/85/51/80/488855180.db2.gz LHQMUZZSZMALEO-SJORKVTESA-N 2 2 354.539 0.876 10 0 FCAELP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180936678 488862660 /nfs/dbraw/zinc/86/26/60/488862660.db2.gz RWSSOTYHWAWJGU-HNNXBMFYSA-N 2 2 367.538 0.070 10 0 FCAELP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180936678 488862661 /nfs/dbraw/zinc/86/26/61/488862661.db2.gz RWSSOTYHWAWJGU-HNNXBMFYSA-N 2 2 367.538 0.070 10 0 FCAELP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000180936678 488862662 /nfs/dbraw/zinc/86/26/62/488862662.db2.gz RWSSOTYHWAWJGU-HNNXBMFYSA-N 2 2 367.538 0.070 10 0 FCAELP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000180936678 488862663 /nfs/dbraw/zinc/86/26/63/488862663.db2.gz RWSSOTYHWAWJGU-HNNXBMFYSA-N 2 2 367.538 0.070 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)C[C@H](O)C(F)(F)F)C1 ZINC000181241974 488863085 /nfs/dbraw/zinc/86/30/85/488863085.db2.gz GDFWQCSIUDPDIK-OLZOCXBDSA-N 2 2 355.401 0.314 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)C[C@H](O)C(F)(F)F)C1 ZINC000181241974 488863086 /nfs/dbraw/zinc/86/30/86/488863086.db2.gz GDFWQCSIUDPDIK-OLZOCXBDSA-N 2 2 355.401 0.314 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)C[C@H](O)C(F)(F)F)C1 ZINC000181241974 488863087 /nfs/dbraw/zinc/86/30/87/488863087.db2.gz GDFWQCSIUDPDIK-OLZOCXBDSA-N 2 2 355.401 0.314 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)C[C@H](O)C(F)(F)F)C1 ZINC000181241974 488863088 /nfs/dbraw/zinc/86/30/88/488863088.db2.gz GDFWQCSIUDPDIK-OLZOCXBDSA-N 2 2 355.401 0.314 10 0 FCAELP Cc1n[nH]cc1C[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000365198790 489048304 /nfs/dbraw/zinc/04/83/04/489048304.db2.gz NLTXZEDXYXZDDE-OAHLLOKOSA-N 2 2 371.489 0.654 10 0 FCAELP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000332793640 489231709 /nfs/dbraw/zinc/23/17/09/489231709.db2.gz OGADCZBVVMKDRF-ZWKOTPCHSA-N 2 2 368.522 0.990 10 0 FCAELP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)C[C@@H]21 ZINC000332802069 489232910 /nfs/dbraw/zinc/23/29/10/489232910.db2.gz YYWOSQJZTORJOV-XMTFNYHQSA-N 2 2 366.506 0.479 10 0 FCAELP C[N@H+]1CCO[C@@H]2CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)C[C@@H]21 ZINC000332802069 489232912 /nfs/dbraw/zinc/23/29/12/489232912.db2.gz YYWOSQJZTORJOV-XMTFNYHQSA-N 2 2 366.506 0.479 10 0 FCAELP C[NH+](C)C1CCN(CCNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000332801086 489233093 /nfs/dbraw/zinc/23/30/93/489233093.db2.gz XLIZAWAGOJXQMM-DLBZAZTESA-N 2 2 353.511 0.127 10 0 FCAELP C[NH+](C)C1CCN(CCNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000332801086 489233094 /nfs/dbraw/zinc/23/30/94/489233094.db2.gz XLIZAWAGOJXQMM-DLBZAZTESA-N 2 2 353.511 0.127 10 0 FCAELP C[C@H](NC(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C(=O)N(C)C ZINC000370017753 489303862 /nfs/dbraw/zinc/30/38/62/489303862.db2.gz HDQAPMYVACLFII-GJZGRUSLSA-N 2 2 361.490 0.992 10 0 FCAELP C[C@H](NC(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C(=O)N(C)C ZINC000370017753 489303863 /nfs/dbraw/zinc/30/38/63/489303863.db2.gz HDQAPMYVACLFII-GJZGRUSLSA-N 2 2 361.490 0.992 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N(C)CC3([NH+](C)C)CCC3)CC2)cc[nH+]1 ZINC000298560059 489337366 /nfs/dbraw/zinc/33/73/66/489337366.db2.gz GDANNRHESSNYKK-UHFFFAOYSA-N 2 2 374.489 0.376 10 0 FCAELP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[NH+](C3CC3)CC2)o1 ZINC000298631003 489346412 /nfs/dbraw/zinc/34/64/12/489346412.db2.gz URENIEHDQNPODF-UHFFFAOYSA-N 2 2 362.474 0.785 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000370507921 489368380 /nfs/dbraw/zinc/36/83/80/489368380.db2.gz MJMKDGRGQGSYLK-MRXNPFEDSA-N 2 2 363.506 0.811 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@]2(C(N)=O)CCOC2)CC1 ZINC000570579950 491251308 /nfs/dbraw/zinc/25/13/08/491251308.db2.gz GWWPFWQEXUFECH-HNAYVOBHSA-N 2 2 360.458 0.126 10 0 FCAELP O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000555540845 491253387 /nfs/dbraw/zinc/25/33/87/491253387.db2.gz AZSXGOWWQCFBDE-OALUTQOASA-N 2 2 361.486 0.708 10 0 FCAELP O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000555540845 491253390 /nfs/dbraw/zinc/25/33/90/491253390.db2.gz AZSXGOWWQCFBDE-OALUTQOASA-N 2 2 361.486 0.708 10 0 FCAELP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1=O ZINC000371308683 489475851 /nfs/dbraw/zinc/47/58/51/489475851.db2.gz QTNWZYIQSHETNZ-SOUVJXGZSA-N 2 2 359.474 0.716 10 0 FCAELP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1=O ZINC000371308683 489475853 /nfs/dbraw/zinc/47/58/53/489475853.db2.gz QTNWZYIQSHETNZ-SOUVJXGZSA-N 2 2 359.474 0.716 10 0 FCAELP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1=O ZINC000371308683 489475856 /nfs/dbraw/zinc/47/58/56/489475856.db2.gz QTNWZYIQSHETNZ-SOUVJXGZSA-N 2 2 359.474 0.716 10 0 FCAELP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1=O ZINC000371308683 489475858 /nfs/dbraw/zinc/47/58/58/489475858.db2.gz QTNWZYIQSHETNZ-SOUVJXGZSA-N 2 2 359.474 0.716 10 0 FCAELP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000371450003 489484773 /nfs/dbraw/zinc/48/47/73/489484773.db2.gz YAQHAETXPCMWDE-OAHLLOKOSA-N 2 2 354.458 0.991 10 0 FCAELP O=C(CC[N@H+]1CC[C@](O)(C(F)F)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000451440640 489504554 /nfs/dbraw/zinc/50/45/54/489504554.db2.gz XFFVFTCQINQBPY-QGZVFWFLSA-N 2 2 354.401 0.822 10 0 FCAELP O=C(CC[N@@H+]1CC[C@](O)(C(F)F)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000451440640 489504557 /nfs/dbraw/zinc/50/45/57/489504557.db2.gz XFFVFTCQINQBPY-QGZVFWFLSA-N 2 2 354.401 0.822 10 0 FCAELP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000423252053 489507090 /nfs/dbraw/zinc/50/70/90/489507090.db2.gz SZDCFAYJDSIIHN-IRXDYDNUSA-N 2 2 366.506 0.158 10 0 FCAELP Cc1[nH+]c2n(c1CN1CC[NH+](C[C@@H](O)Cn3cccn3)CC1)CCCC2 ZINC000371777760 489508016 /nfs/dbraw/zinc/50/80/16/489508016.db2.gz LFHCUSWZWODXPV-QGZVFWFLSA-N 2 2 358.490 0.903 10 0 FCAELP O=C(CC[N@@H+]1CCN2CCOC[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000371830124 489515744 /nfs/dbraw/zinc/51/57/44/489515744.db2.gz XVRYICGUNQCBBV-KRWDZBQOSA-N 2 2 359.474 0.137 10 0 FCAELP O=C(CC[N@H+]1CCN2CCOC[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000371830124 489515747 /nfs/dbraw/zinc/51/57/47/489515747.db2.gz XVRYICGUNQCBBV-KRWDZBQOSA-N 2 2 359.474 0.137 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(O)(C(F)F)CC2)C1 ZINC000426261166 489561107 /nfs/dbraw/zinc/56/11/07/489561107.db2.gz OOYYQQJOSNDVGA-AWEZNQCLSA-N 2 2 363.449 0.551 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(O)(C(F)F)CC2)C1 ZINC000426261166 489561111 /nfs/dbraw/zinc/56/11/11/489561111.db2.gz OOYYQQJOSNDVGA-AWEZNQCLSA-N 2 2 363.449 0.551 10 0 FCAELP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000416290509 489577741 /nfs/dbraw/zinc/57/77/41/489577741.db2.gz GSKUFTUOQGMMFW-QZTJIDSGSA-N 2 2 374.529 0.961 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000416290509 489577744 /nfs/dbraw/zinc/57/77/44/489577744.db2.gz GSKUFTUOQGMMFW-QZTJIDSGSA-N 2 2 374.529 0.961 10 0 FCAELP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000416300633 489580840 /nfs/dbraw/zinc/58/08/40/489580840.db2.gz UGOPQNVQHYGRSW-LMMKCTJWSA-N 2 2 361.486 0.801 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000416300633 489580843 /nfs/dbraw/zinc/58/08/43/489580843.db2.gz UGOPQNVQHYGRSW-LMMKCTJWSA-N 2 2 361.486 0.801 10 0 FCAELP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000416300633 489580846 /nfs/dbraw/zinc/58/08/46/489580846.db2.gz UGOPQNVQHYGRSW-LMMKCTJWSA-N 2 2 361.486 0.801 10 0 FCAELP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000416300633 489580847 /nfs/dbraw/zinc/58/08/47/489580847.db2.gz UGOPQNVQHYGRSW-LMMKCTJWSA-N 2 2 361.486 0.801 10 0 FCAELP CNC(=O)C[C@H](C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000455456221 489592755 /nfs/dbraw/zinc/59/27/55/489592755.db2.gz FEQOMBDNODUPBT-HNNXBMFYSA-N 2 2 353.511 0.761 10 0 FCAELP COCC(COC)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000455432362 489592768 /nfs/dbraw/zinc/59/27/68/489592768.db2.gz UJDONQIPTRZAKZ-UHFFFAOYSA-N 2 2 356.511 0.897 10 0 FCAELP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000416663832 489623830 /nfs/dbraw/zinc/62/38/30/489623830.db2.gz MKTNIYHJYSITKH-GJZGRUSLSA-N 2 2 355.504 0.824 10 0 FCAELP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000416663832 489623835 /nfs/dbraw/zinc/62/38/35/489623835.db2.gz MKTNIYHJYSITKH-GJZGRUSLSA-N 2 2 355.504 0.824 10 0 FCAELP COCC[NH2+]CCNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000416991549 489638193 /nfs/dbraw/zinc/63/81/93/489638193.db2.gz QNFHMGMGOXKFRF-GJZGRUSLSA-N 2 2 365.478 0.730 10 0 FCAELP CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000417987428 489674121 /nfs/dbraw/zinc/67/41/21/489674121.db2.gz HTGPIOAOVPJQLL-ZIAGYGMSSA-N 2 2 350.467 0.584 10 0 FCAELP CC(C)C[C@H](C[NH3+])NC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000417987424 489674296 /nfs/dbraw/zinc/67/42/96/489674296.db2.gz HTGPIOAOVPJQLL-KGLIPLIRSA-N 2 2 350.467 0.584 10 0 FCAELP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373176193 489676033 /nfs/dbraw/zinc/67/60/33/489676033.db2.gz KAZLNUQNGUTSNS-LSDHHAIUSA-N 2 2 353.511 0.709 10 0 FCAELP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373176193 489676034 /nfs/dbraw/zinc/67/60/34/489676034.db2.gz KAZLNUQNGUTSNS-LSDHHAIUSA-N 2 2 353.511 0.709 10 0 FCAELP CC[N@H+](CCNC(=O)N1CC[NH+](CCO)C[C@@H]1C)CCC(F)(F)F ZINC000458707499 489696673 /nfs/dbraw/zinc/69/66/73/489696673.db2.gz FZRDMSVHIWCXAK-ZDUSSCGKSA-N 2 2 354.417 0.969 10 0 FCAELP CC[N@@H+](CCNC(=O)N1CC[NH+](CCO)C[C@@H]1C)CCC(F)(F)F ZINC000458707499 489696675 /nfs/dbraw/zinc/69/66/75/489696675.db2.gz FZRDMSVHIWCXAK-ZDUSSCGKSA-N 2 2 354.417 0.969 10 0 FCAELP CC[NH+](CCNC(=O)N1CC[N@H+](CCO)C[C@@H]1C)CCC(F)(F)F ZINC000458707499 489696680 /nfs/dbraw/zinc/69/66/80/489696680.db2.gz FZRDMSVHIWCXAK-ZDUSSCGKSA-N 2 2 354.417 0.969 10 0 FCAELP CC[NH+](CCNC(=O)N1CC[N@@H+](CCO)C[C@@H]1C)CCC(F)(F)F ZINC000458707499 489696683 /nfs/dbraw/zinc/69/66/83/489696683.db2.gz FZRDMSVHIWCXAK-ZDUSSCGKSA-N 2 2 354.417 0.969 10 0 FCAELP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000418796543 489729233 /nfs/dbraw/zinc/72/92/33/489729233.db2.gz DUHPMKWTMURAEM-CYBMUJFWSA-N 2 2 368.428 0.723 10 0 FCAELP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000418796543 489729237 /nfs/dbraw/zinc/72/92/37/489729237.db2.gz DUHPMKWTMURAEM-CYBMUJFWSA-N 2 2 368.428 0.723 10 0 FCAELP O=C(NCC1C[NH2+]C1)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000418797554 489729531 /nfs/dbraw/zinc/72/95/31/489729531.db2.gz GCNDHTQWGGXIOQ-CYBMUJFWSA-N 2 2 366.412 0.381 10 0 FCAELP O=C(NCC1C[NH2+]C1)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000418797554 489729537 /nfs/dbraw/zinc/72/95/37/489729537.db2.gz GCNDHTQWGGXIOQ-CYBMUJFWSA-N 2 2 366.412 0.381 10 0 FCAELP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000418807159 489731898 /nfs/dbraw/zinc/73/18/98/489731898.db2.gz PMYQUURLENMMGF-CHWSQXEVSA-N 2 2 368.428 0.899 10 0 FCAELP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000418807159 489731903 /nfs/dbraw/zinc/73/19/03/489731903.db2.gz PMYQUURLENMMGF-CHWSQXEVSA-N 2 2 368.428 0.899 10 0 FCAELP [NH3+][C@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)C1 ZINC000418813970 489735234 /nfs/dbraw/zinc/73/52/34/489735234.db2.gz ZEACREQCDGEVLD-STQMWFEESA-N 2 2 366.412 0.605 10 0 FCAELP [NH3+][C@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)C1 ZINC000418813970 489735238 /nfs/dbraw/zinc/73/52/38/489735238.db2.gz ZEACREQCDGEVLD-STQMWFEESA-N 2 2 366.412 0.605 10 0 FCAELP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000570948694 491275743 /nfs/dbraw/zinc/27/57/43/491275743.db2.gz TZQQRWBSYXXKKM-INIZCTEOSA-N 2 2 354.495 0.014 10 0 FCAELP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000570948694 491275745 /nfs/dbraw/zinc/27/57/45/491275745.db2.gz TZQQRWBSYXXKKM-INIZCTEOSA-N 2 2 354.495 0.014 10 0 FCAELP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418833786 489745307 /nfs/dbraw/zinc/74/53/07/489745307.db2.gz NQZASTRQLKVYMA-NJAFHUGGSA-N 2 2 374.485 0.118 10 0 FCAELP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418833786 489745314 /nfs/dbraw/zinc/74/53/14/489745314.db2.gz NQZASTRQLKVYMA-NJAFHUGGSA-N 2 2 374.485 0.118 10 0 FCAELP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C)C[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000418868875 489767227 /nfs/dbraw/zinc/76/72/27/489767227.db2.gz QGRBWQVIOBQTMG-XXLQHYSLSA-N 2 2 372.391 0.819 10 0 FCAELP CC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C)C[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000418868875 489767228 /nfs/dbraw/zinc/76/72/28/489767228.db2.gz QGRBWQVIOBQTMG-XXLQHYSLSA-N 2 2 372.391 0.819 10 0 FCAELP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418900104 489782357 /nfs/dbraw/zinc/78/23/57/489782357.db2.gz CPVSGHJQRAEBNM-KNXALSJPSA-N 2 2 366.412 0.647 10 0 FCAELP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418900104 489782362 /nfs/dbraw/zinc/78/23/62/489782362.db2.gz CPVSGHJQRAEBNM-KNXALSJPSA-N 2 2 366.412 0.647 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)[C@H]1c1ccc(F)c(F)c1 ZINC000418903638 489782935 /nfs/dbraw/zinc/78/29/35/489782935.db2.gz IHQFFRZMPFQHAK-DAXOMENPSA-N 2 2 366.412 0.694 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)[C@H]1c1ccc(F)c(F)c1 ZINC000418903638 489782938 /nfs/dbraw/zinc/78/29/38/489782938.db2.gz IHQFFRZMPFQHAK-DAXOMENPSA-N 2 2 366.412 0.694 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418906475 489785196 /nfs/dbraw/zinc/78/51/96/489785196.db2.gz KXSJWUZWDYQJQD-UGFHNGPFSA-N 2 2 368.840 0.819 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418906475 489785200 /nfs/dbraw/zinc/78/52/00/489785200.db2.gz KXSJWUZWDYQJQD-UGFHNGPFSA-N 2 2 368.840 0.819 10 0 FCAELP CN(CC[NH3+])C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000418910608 489786299 /nfs/dbraw/zinc/78/62/99/489786299.db2.gz OYUXVOUIUJLZPB-KBPBESRZSA-N 2 2 356.829 0.758 10 0 FCAELP CN(CC[NH3+])C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000418910608 489786306 /nfs/dbraw/zinc/78/63/06/489786306.db2.gz OYUXVOUIUJLZPB-KBPBESRZSA-N 2 2 356.829 0.758 10 0 FCAELP CN(CC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418910611 489786336 /nfs/dbraw/zinc/78/63/36/489786336.db2.gz OYUXVOUIUJLZPB-ZIAGYGMSSA-N 2 2 356.829 0.758 10 0 FCAELP CN(CC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418910611 489786339 /nfs/dbraw/zinc/78/63/39/489786339.db2.gz OYUXVOUIUJLZPB-ZIAGYGMSSA-N 2 2 356.829 0.758 10 0 FCAELP CN(CC[NH3+])C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418910610 489786952 /nfs/dbraw/zinc/78/69/52/489786952.db2.gz OYUXVOUIUJLZPB-UONOGXRCSA-N 2 2 356.829 0.758 10 0 FCAELP CN(CC[NH3+])C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418910610 489786955 /nfs/dbraw/zinc/78/69/55/489786955.db2.gz OYUXVOUIUJLZPB-UONOGXRCSA-N 2 2 356.829 0.758 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418916744 489789962 /nfs/dbraw/zinc/78/99/62/489789962.db2.gz XHMXCMYTRHMNID-UGFHNGPFSA-N 2 2 352.385 0.386 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418916744 489789965 /nfs/dbraw/zinc/78/99/65/489789965.db2.gz XHMXCMYTRHMNID-UGFHNGPFSA-N 2 2 352.385 0.386 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418917797 489790702 /nfs/dbraw/zinc/79/07/02/489790702.db2.gz YTBYIELMJWKAEP-JYJNAYRXSA-N 2 2 366.412 0.680 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418917797 489790706 /nfs/dbraw/zinc/79/07/06/489790706.db2.gz YTBYIELMJWKAEP-JYJNAYRXSA-N 2 2 366.412 0.680 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418917799 489791191 /nfs/dbraw/zinc/79/11/91/489791191.db2.gz YTBYIELMJWKAEP-XHSDSOJGSA-N 2 2 366.412 0.680 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418917799 489791194 /nfs/dbraw/zinc/79/11/94/489791194.db2.gz YTBYIELMJWKAEP-XHSDSOJGSA-N 2 2 366.412 0.680 10 0 FCAELP C[C@@H]1C[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000490987838 489791786 /nfs/dbraw/zinc/79/17/86/489791786.db2.gz NITDQDVEIJCFCL-FGTMMUONSA-N 2 2 372.579 0.616 10 0 FCAELP C[C@@H]1C[N@@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000490987838 489791790 /nfs/dbraw/zinc/79/17/90/489791790.db2.gz NITDQDVEIJCFCL-FGTMMUONSA-N 2 2 372.579 0.616 10 0 FCAELP O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000418919903 489792411 /nfs/dbraw/zinc/79/24/11/489792411.db2.gz XWTLGCFEYLSFCO-GOSISDBHSA-N 2 2 374.485 0.393 10 0 FCAELP O=C(C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CC[NH+](C2CC2)CC1 ZINC000459929348 489797090 /nfs/dbraw/zinc/79/70/90/489797090.db2.gz FIIDFDPGOBUEFE-YJBOKZPZSA-N 2 2 360.502 0.768 10 0 FCAELP O=C(C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CC[NH+](C2CC2)CC1 ZINC000459929348 489797092 /nfs/dbraw/zinc/79/70/92/489797092.db2.gz FIIDFDPGOBUEFE-YJBOKZPZSA-N 2 2 360.502 0.768 10 0 FCAELP COc1cc2[nH+]c(N3C[C@H](C)[N@H+](CCO)C[C@@H]3C)nc(N)c2cc1OC ZINC000419007699 489816287 /nfs/dbraw/zinc/81/62/87/489816287.db2.gz RVLUTMUJVVTWDU-RYUDHWBXSA-N 2 2 361.446 1.121 10 0 FCAELP COc1cc2[nH+]c(N3C[C@H](C)[N@@H+](CCO)C[C@@H]3C)nc(N)c2cc1OC ZINC000419007699 489816290 /nfs/dbraw/zinc/81/62/90/489816290.db2.gz RVLUTMUJVVTWDU-RYUDHWBXSA-N 2 2 361.446 1.121 10 0 FCAELP COCCO[C@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000376969547 489827038 /nfs/dbraw/zinc/82/70/38/489827038.db2.gz WLANOWBQPXQILG-DLBZAZTESA-N 2 2 357.495 0.197 10 0 FCAELP COCCO[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000376969547 489827041 /nfs/dbraw/zinc/82/70/41/489827041.db2.gz WLANOWBQPXQILG-DLBZAZTESA-N 2 2 357.495 0.197 10 0 FCAELP COCCO[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000376969547 489827045 /nfs/dbraw/zinc/82/70/45/489827045.db2.gz WLANOWBQPXQILG-DLBZAZTESA-N 2 2 357.495 0.197 10 0 FCAELP COCCO[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000376969547 489827049 /nfs/dbraw/zinc/82/70/49/489827049.db2.gz WLANOWBQPXQILG-DLBZAZTESA-N 2 2 357.495 0.197 10 0 FCAELP COc1ccc([C@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)c2[nH+]ccn2C)cc1 ZINC000419065362 489841877 /nfs/dbraw/zinc/84/18/77/489841877.db2.gz JMUHTNISRUXMHI-BBRMVZONSA-N 2 2 371.441 0.455 10 0 FCAELP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419119859 489864194 /nfs/dbraw/zinc/86/41/94/489864194.db2.gz POJVKOOSPHIYJL-INIZCTEOSA-N 2 2 359.474 0.946 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000420096790 489910605 /nfs/dbraw/zinc/91/06/05/489910605.db2.gz BGRWPLKVVCPIOW-UHFFFAOYSA-N 2 2 359.474 0.545 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)[C@@H]1c1ccccc1 ZINC000564066547 491286609 /nfs/dbraw/zinc/28/66/09/491286609.db2.gz LKSIVNCWTPLWQY-BQFCYCMXSA-N 2 2 367.453 0.876 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)[C@@H]1c1ccccc1 ZINC000564066547 491286611 /nfs/dbraw/zinc/28/66/11/491286611.db2.gz LKSIVNCWTPLWQY-BQFCYCMXSA-N 2 2 367.453 0.876 10 0 FCAELP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C[C@@H]3C)CC2)c1 ZINC000420100828 489912220 /nfs/dbraw/zinc/91/22/20/489912220.db2.gz LFOIHKWHUIKQPW-WMZOPIPTSA-N 2 2 358.486 0.753 10 0 FCAELP C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000420101125 489912411 /nfs/dbraw/zinc/91/24/11/489912411.db2.gz LSMKHTBMEQQWPC-FUHWJXTLSA-N 2 2 374.485 0.324 10 0 FCAELP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000420128515 489922404 /nfs/dbraw/zinc/92/24/04/489922404.db2.gz PIOFDHLMPTVUMF-GJZGRUSLSA-N 2 2 362.474 0.502 10 0 FCAELP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000420130515 489923483 /nfs/dbraw/zinc/92/34/83/489923483.db2.gz QLFNVJDJXSDBQY-CRAIPNDOSA-N 2 2 374.485 0.646 10 0 FCAELP CCC(CC)[C@H](CNC(=O)CN1CC[NH+](CC)CC1)[NH+]1CCOCC1 ZINC000462033718 489952210 /nfs/dbraw/zinc/95/22/10/489952210.db2.gz XFJSDUBXXBRYGT-SFHVURJKSA-N 2 2 354.539 0.877 10 0 FCAELP O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000420217136 489955270 /nfs/dbraw/zinc/95/52/70/489955270.db2.gz MOWQDMQJPSJREW-KRWDZBQOSA-N 2 2 364.490 0.126 10 0 FCAELP Cc1[nH+]ccn1CCCNC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000556062171 491291757 /nfs/dbraw/zinc/29/17/57/491291757.db2.gz OBSUGRCHDHRDDC-UHFFFAOYSA-N 2 2 370.457 0.878 10 0 FCAELP CC(C)C[C@H](NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)C(=O)NCC[NH+](C)C ZINC000462359772 489972121 /nfs/dbraw/zinc/97/21/21/489972121.db2.gz JNHRLPFRQLDGSU-BBRMVZONSA-N 2 2 364.494 0.659 10 0 FCAELP CC(C)C[C@H](NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)C(=O)NCC[NH+](C)C ZINC000462359772 489972126 /nfs/dbraw/zinc/97/21/26/489972126.db2.gz JNHRLPFRQLDGSU-BBRMVZONSA-N 2 2 364.494 0.659 10 0 FCAELP CC[NH+](CC)CC1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000556111605 491295632 /nfs/dbraw/zinc/29/56/32/491295632.db2.gz KZWJEKVUKZEQAF-INIZCTEOSA-N 2 2 368.522 0.404 10 0 FCAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CCCN(C)C3=O)CC2)CC1 ZINC000422023557 490127994 /nfs/dbraw/zinc/12/79/94/490127994.db2.gz PVIJGVASKCEORN-QGZVFWFLSA-N 2 2 350.507 0.873 10 0 FCAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3CCCN(C)C3=O)CC2)CC1 ZINC000422023557 490128000 /nfs/dbraw/zinc/12/80/00/490128000.db2.gz PVIJGVASKCEORN-QGZVFWFLSA-N 2 2 350.507 0.873 10 0 FCAELP CC[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1nnc2n1CCCCC2 ZINC000520396994 490142702 /nfs/dbraw/zinc/14/27/02/490142702.db2.gz YDNQKBFMZXEVAL-HZPDHXFCSA-N 2 2 350.511 0.654 10 0 FCAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)N(C)CC3CC3)CC2)CC1 ZINC000422104352 490156794 /nfs/dbraw/zinc/15/67/94/490156794.db2.gz ILIBDECISMGGFE-UHFFFAOYSA-N 2 2 350.507 0.873 10 0 FCAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)N(C)CC3CC3)CC2)CC1 ZINC000422104352 490156801 /nfs/dbraw/zinc/15/68/01/490156801.db2.gz ILIBDECISMGGFE-UHFFFAOYSA-N 2 2 350.507 0.873 10 0 FCAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C[C@H]2C1 ZINC000520566429 490163949 /nfs/dbraw/zinc/16/39/49/490163949.db2.gz ZIWDETFPBLNMDP-ILOCAZANSA-N 2 2 351.491 0.713 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCN3CCOC[C@@H]3C2)CC1 ZINC000520892343 490203216 /nfs/dbraw/zinc/20/32/16/490203216.db2.gz ALLIVNSPHQPJPV-QUCCMNQESA-N 2 2 372.513 0.908 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCN3CCOC[C@@H]3C2)CC1 ZINC000520892343 490203221 /nfs/dbraw/zinc/20/32/21/490203221.db2.gz ALLIVNSPHQPJPV-QUCCMNQESA-N 2 2 372.513 0.908 10 0 FCAELP C[NH+]1CCC(CNC(=O)N2C[C@@H](O)C[C@H]2CO)([NH+]2CCCCC2)CC1 ZINC000483096344 490281601 /nfs/dbraw/zinc/28/16/01/490281601.db2.gz JBHCNYVKXPNKIT-HOTGVXAUSA-N 2 2 354.495 0.074 10 0 FCAELP C[C@@H]1OCC[C@@H]1[N@H+](CCO)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000483291027 490301412 /nfs/dbraw/zinc/30/14/12/490301412.db2.gz CWFAAXOMZBMSRQ-RDJZCZTQSA-N 2 2 367.515 0.864 10 0 FCAELP C[C@@H]1OCC[C@@H]1[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000483291027 490301416 /nfs/dbraw/zinc/30/14/16/490301416.db2.gz CWFAAXOMZBMSRQ-RDJZCZTQSA-N 2 2 367.515 0.864 10 0 FCAELP C[C@@H]1OCC[C@H]1[N@H+](CCO)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000483291238 490303121 /nfs/dbraw/zinc/30/31/21/490303121.db2.gz BEFJWIZRLJNSGT-PKOBYXMFSA-N 2 2 361.486 0.803 10 0 FCAELP C[C@@H]1OCC[C@H]1[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000483291238 490303126 /nfs/dbraw/zinc/30/31/26/490303126.db2.gz BEFJWIZRLJNSGT-PKOBYXMFSA-N 2 2 361.486 0.803 10 0 FCAELP C[C@@H]1OCC[C@H]1[N@H+](CCO)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000483300053 490304081 /nfs/dbraw/zinc/30/40/81/490304081.db2.gz XLIQAUHXGWSZPN-DLBZAZTESA-N 2 2 362.474 0.592 10 0 FCAELP C[C@@H]1OCC[C@H]1[N@@H+](CCO)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000483300053 490304090 /nfs/dbraw/zinc/30/40/90/490304090.db2.gz XLIQAUHXGWSZPN-DLBZAZTESA-N 2 2 362.474 0.592 10 0 FCAELP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H]3CCCS(=O)(=O)C3)CC2)CC1 ZINC000556498159 491316528 /nfs/dbraw/zinc/31/65/28/491316528.db2.gz ZCLOULJSSDOYML-QGZVFWFLSA-N 2 2 371.547 0.687 10 0 FCAELP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000508797185 490361330 /nfs/dbraw/zinc/36/13/30/490361330.db2.gz UKPVTGCKWYQHHW-UHFFFAOYSA-N 2 2 365.478 0.070 10 0 FCAELP Cc1cc(N2CC[NH+](C)CC2)ccc1NC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000571671329 491322261 /nfs/dbraw/zinc/32/22/61/491322261.db2.gz BCLQPJDQKMHUPI-LJQANCHMSA-N 2 2 361.534 0.767 10 0 FCAELP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCN(C(=O)CO)CC2)CC1 ZINC000556616977 491322805 /nfs/dbraw/zinc/32/28/05/491322805.db2.gz AUYVQKSMSDBDLB-UHFFFAOYSA-N 2 2 360.502 0.855 10 0 FCAELP OCCNc1nc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)[nH+]c2ccccc21 ZINC000522905838 490417743 /nfs/dbraw/zinc/41/77/43/490417743.db2.gz WYECOKVFFDBASY-HNNXBMFYSA-N 2 2 371.485 0.791 10 0 FCAELP C[NH+](C)CCN1C[C@@H](C(=O)NCc2[nH+]ccn2CC(F)(F)F)CC1=O ZINC000468780759 490445916 /nfs/dbraw/zinc/44/59/16/490445916.db2.gz BHJKEWHNYSUMDC-NSHDSACASA-N 2 2 361.368 0.472 10 0 FCAELP CC[NH+]1CCN(CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000468860628 490457769 /nfs/dbraw/zinc/45/77/69/490457769.db2.gz HLIYHAMHAHPTMU-UHFFFAOYSA-N 3 2 374.533 0.347 10 0 FCAELP c1cnc(N2CC[NH+](CCCC[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)CC2)nc1 ZINC000422718487 490464702 /nfs/dbraw/zinc/46/47/02/490464702.db2.gz PUJKXQYLSZQGCN-MOPGFXCFSA-N 3 2 374.533 0.735 10 0 FCAELP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000535313791 490477127 /nfs/dbraw/zinc/47/71/27/490477127.db2.gz KRKHIDWUHLDFNI-CYBMUJFWSA-N 2 2 371.445 0.047 10 0 FCAELP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000535313791 490477135 /nfs/dbraw/zinc/47/71/35/490477135.db2.gz KRKHIDWUHLDFNI-CYBMUJFWSA-N 2 2 371.445 0.047 10 0 FCAELP O[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)COc1ccc2c(c1)OCO2 ZINC000422893496 490493307 /nfs/dbraw/zinc/49/33/07/490493307.db2.gz AASMTYAGLANLCN-BVGQSLNGSA-N 2 2 350.415 0.512 10 0 FCAELP O=C(C1CCC1)N1CCN(CC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000422952599 490504660 /nfs/dbraw/zinc/50/46/60/490504660.db2.gz BNAZLVPTDYDNRT-QZTJIDSGSA-N 2 2 350.507 0.287 10 0 FCAELP O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422957400 490505635 /nfs/dbraw/zinc/50/56/35/490505635.db2.gz TVXUVGWRZAGAJG-UHFFFAOYSA-N 2 2 362.499 0.577 10 0 FCAELP O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422957400 490505640 /nfs/dbraw/zinc/50/56/40/490505640.db2.gz TVXUVGWRZAGAJG-UHFFFAOYSA-N 2 2 362.499 0.577 10 0 FCAELP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)C1CC1 ZINC000564867907 491332295 /nfs/dbraw/zinc/33/22/95/491332295.db2.gz AZUMQXKFUCJJDL-GOEBONIOSA-N 2 2 353.488 0.494 10 0 FCAELP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)C1CC1 ZINC000564867907 491332296 /nfs/dbraw/zinc/33/22/96/491332296.db2.gz AZUMQXKFUCJJDL-GOEBONIOSA-N 2 2 353.488 0.494 10 0 FCAELP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H](CO)C[C@H](O)C(C)(C)C)CC1 ZINC000500393562 490510987 /nfs/dbraw/zinc/51/09/87/490510987.db2.gz MORHTAIBKRNASN-HOCLYGCPSA-N 2 2 358.527 0.470 10 0 FCAELP C[NH+](C)C1(CNC(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC000500461815 490519704 /nfs/dbraw/zinc/51/97/04/490519704.db2.gz ABFGGSWUMLJXKA-UHFFFAOYSA-N 2 2 359.474 0.767 10 0 FCAELP Nc1cc[nH+]cc1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000564993911 491344725 /nfs/dbraw/zinc/34/47/25/491344725.db2.gz CDLRNUQHRLUNDM-UHFFFAOYSA-N 2 2 369.429 0.083 10 0 FCAELP Nc1cc[nH+]cc1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000564993911 491344728 /nfs/dbraw/zinc/34/47/28/491344728.db2.gz CDLRNUQHRLUNDM-UHFFFAOYSA-N 2 2 369.429 0.083 10 0 FCAELP C[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)C1(S(C)(=O)=O)CC1 ZINC000512903701 490703851 /nfs/dbraw/zinc/70/38/51/490703851.db2.gz DYQYQYBWHYGHPL-CYBMUJFWSA-N 2 2 353.492 0.284 10 0 FCAELP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000503514843 490760666 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/nfs/dbraw/zinc/05/21/19/492052119.db2.gz KZWNWKVTGPTVDL-CQSZACIVSA-N 2 2 363.462 0.364 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC(=O)NCc3ccco3)C2)CC1 ZINC000604162358 492052121 /nfs/dbraw/zinc/05/21/21/492052121.db2.gz KZWNWKVTGPTVDL-CQSZACIVSA-N 2 2 363.462 0.364 10 0 FCAELP COC(=O)CCNC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000599088748 492134334 /nfs/dbraw/zinc/13/43/34/492134334.db2.gz MNEPIVLQDHASAE-NVXWUHKLSA-N 2 2 362.474 0.951 10 0 FCAELP COC(=O)CCNC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000599088748 492134337 /nfs/dbraw/zinc/13/43/37/492134337.db2.gz MNEPIVLQDHASAE-NVXWUHKLSA-N 2 2 362.474 0.951 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000617504741 492173310 /nfs/dbraw/zinc/17/33/10/492173310.db2.gz ICALZVDDJXRAED-NSHDSACASA-N 2 2 362.434 0.438 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000617504741 492173312 /nfs/dbraw/zinc/17/33/12/492173312.db2.gz ICALZVDDJXRAED-NSHDSACASA-N 2 2 362.434 0.438 10 0 FCAELP C[NH+]1CCC(CNC(=O)CNC(=O)c2ccncc2)([NH+]2CCCCC2)CC1 ZINC000608474103 492177517 /nfs/dbraw/zinc/17/75/17/492177517.db2.gz ZWHXWKXEZMTMTR-UHFFFAOYSA-N 2 2 373.501 0.878 10 0 FCAELP C[C@@H]1C[N@H+](CCNC(=O)C2CC[NH+](Cc3nccn3C)CC2)[C@H](C)CO1 ZINC000617730542 492185774 /nfs/dbraw/zinc/18/57/74/492185774.db2.gz OCVOSKAUCIPOTF-HZPDHXFCSA-N 2 2 363.506 0.858 10 0 FCAELP C[C@@H]1C[N@@H+](CCNC(=O)C2CC[NH+](Cc3nccn3C)CC2)[C@H](C)CO1 ZINC000617730542 492185775 /nfs/dbraw/zinc/18/57/75/492185775.db2.gz OCVOSKAUCIPOTF-HZPDHXFCSA-N 2 2 363.506 0.858 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC000617764913 492190260 /nfs/dbraw/zinc/19/02/60/492190260.db2.gz LSHDSYVLUOGHFF-INIZCTEOSA-N 2 2 350.463 0.863 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC000617764913 492190261 /nfs/dbraw/zinc/19/02/61/492190261.db2.gz LSHDSYVLUOGHFF-INIZCTEOSA-N 2 2 350.463 0.863 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)CNC(=O)c1ccc(F)cc1F ZINC000617765221 492190263 /nfs/dbraw/zinc/19/02/63/492190263.db2.gz XVSYJDLXIOVSIG-UHFFFAOYSA-N 2 2 356.417 0.694 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CNC(=O)c1ccc(F)cc1F ZINC000617765221 492190264 /nfs/dbraw/zinc/19/02/64/492190264.db2.gz XVSYJDLXIOVSIG-UHFFFAOYSA-N 2 2 356.417 0.694 10 0 FCAELP COc1cccc(-n2cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)nn2)c1 ZINC000617763326 492190272 /nfs/dbraw/zinc/19/02/72/492190272.db2.gz NGKMPSMOBSJHLA-UHFFFAOYSA-N 2 2 360.462 0.889 10 0 FCAELP COc1cccc(-n2cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)nn2)c1 ZINC000617763326 492190273 /nfs/dbraw/zinc/19/02/73/492190273.db2.gz NGKMPSMOBSJHLA-UHFFFAOYSA-N 2 2 360.462 0.889 10 0 FCAELP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764907 492190276 /nfs/dbraw/zinc/19/02/76/492190276.db2.gz LGTQFKGQOWOYQU-UHFFFAOYSA-N 3 2 361.494 0.836 10 0 FCAELP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764907 492190277 /nfs/dbraw/zinc/19/02/77/492190277.db2.gz LGTQFKGQOWOYQU-UHFFFAOYSA-N 3 2 361.494 0.836 10 0 FCAELP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCN(C)CCC[NH+](C)C ZINC000617764907 492190278 /nfs/dbraw/zinc/19/02/78/492190278.db2.gz LGTQFKGQOWOYQU-UHFFFAOYSA-N 2 2 361.494 0.836 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnn2c1[nH]c(=O)c1ccccc12 ZINC000617767529 492190723 /nfs/dbraw/zinc/19/07/23/492190723.db2.gz YYIWPVBDAYQRAU-UHFFFAOYSA-N 2 2 370.457 0.789 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnn2c1[nH]c(=O)c1ccccc12 ZINC000617767529 492190724 /nfs/dbraw/zinc/19/07/24/492190724.db2.gz YYIWPVBDAYQRAU-UHFFFAOYSA-N 2 2 370.457 0.789 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C ZINC000617766815 492190754 /nfs/dbraw/zinc/19/07/54/492190754.db2.gz VZTOJEOVNQTMFX-AWEZNQCLSA-N 2 2 358.552 0.934 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C ZINC000617766815 492190756 /nfs/dbraw/zinc/19/07/56/492190756.db2.gz VZTOJEOVNQTMFX-AWEZNQCLSA-N 2 2 358.552 0.934 10 0 FCAELP C[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)n1nnc(-c2ccccc2)n1 ZINC000617766569 492190891 /nfs/dbraw/zinc/19/08/91/492190891.db2.gz PQBCMFMKNYVULT-OAHLLOKOSA-N 2 2 359.478 0.901 10 0 FCAELP C[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1nnc(-c2ccccc2)n1 ZINC000617766569 492190894 /nfs/dbraw/zinc/19/08/94/492190894.db2.gz PQBCMFMKNYVULT-OAHLLOKOSA-N 2 2 359.478 0.901 10 0 FCAELP O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000627440915 492296736 /nfs/dbraw/zinc/29/67/36/492296736.db2.gz XNQPEGNIVXNMAX-CVEARBPZSA-N 2 2 364.490 0.101 10 0 FCAELP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000627442503 492297416 /nfs/dbraw/zinc/29/74/16/492297416.db2.gz LITYYSKUBQYBLZ-NVXWUHKLSA-N 2 2 371.485 0.688 10 0 FCAELP C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)[C@@H](c2ccccc2)C1 ZINC000627442729 492297563 /nfs/dbraw/zinc/29/75/63/492297563.db2.gz QNSWMVLLGBDOBN-IAGOWNOFSA-N 2 2 356.470 0.903 10 0 FCAELP C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)[C@@H](c2ccccc2)C1 ZINC000627442729 492297566 /nfs/dbraw/zinc/29/75/66/492297566.db2.gz QNSWMVLLGBDOBN-IAGOWNOFSA-N 2 2 356.470 0.903 10 0 FCAELP C[C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654430999 492302010 /nfs/dbraw/zinc/30/20/10/492302010.db2.gz VJYIEVVYDQMEHT-UHDSXZAQSA-N 2 2 356.511 0.893 10 0 FCAELP C[C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654430999 492302012 /nfs/dbraw/zinc/30/20/12/492302012.db2.gz VJYIEVVYDQMEHT-UHDSXZAQSA-N 2 2 356.511 0.893 10 0 FCAELP C[C@H](CNC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000654460524 492307388 /nfs/dbraw/zinc/30/73/88/492307388.db2.gz DFTGCFVLCUKCAW-XDNAFOTISA-N 2 2 369.554 0.667 10 0 FCAELP C[C@H](CNC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000654460524 492307391 /nfs/dbraw/zinc/30/73/91/492307391.db2.gz DFTGCFVLCUKCAW-XDNAFOTISA-N 2 2 369.554 0.667 10 0 FCAELP C[C@H](CNC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC000654460524 492307395 /nfs/dbraw/zinc/30/73/95/492307395.db2.gz DFTGCFVLCUKCAW-XDNAFOTISA-N 2 2 369.554 0.667 10 0 FCAELP C[C@H](CNC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC000654460524 492307398 /nfs/dbraw/zinc/30/73/98/492307398.db2.gz DFTGCFVLCUKCAW-XDNAFOTISA-N 2 2 369.554 0.667 10 0 FCAELP CCN1C(=O)CO[C@H](C(=O)NC[C@H](C)C[NH+](C)C)[C@H]1c1[nH+]ccn1C ZINC000627476739 492315055 /nfs/dbraw/zinc/31/50/55/492315055.db2.gz KQPFFLGWBZKAID-QEJZJMRPSA-N 2 2 351.451 0.022 10 0 FCAELP C[C@@H](C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000620724244 492328526 /nfs/dbraw/zinc/32/85/26/492328526.db2.gz YMJLWTXAJHAKEH-ICSRJNTNSA-N 2 2 373.545 0.555 10 0 FCAELP C[C@@H](C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000620724244 492328529 /nfs/dbraw/zinc/32/85/29/492328529.db2.gz YMJLWTXAJHAKEH-ICSRJNTNSA-N 2 2 373.545 0.555 10 0 FCAELP C[C@@H](CNC(=O)N1CC[N@H+](CCO)C(C)(C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654291 492333582 /nfs/dbraw/zinc/33/35/82/492333582.db2.gz WKCHBYKOSZKUGC-HRCADAONSA-N 2 2 356.511 0.582 10 0 FCAELP C[C@@H](CNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654291 492333583 /nfs/dbraw/zinc/33/35/83/492333583.db2.gz WKCHBYKOSZKUGC-HRCADAONSA-N 2 2 356.511 0.582 10 0 FCAELP C[C@@H](CNC(=O)N1CC[NH+](CCO)C(C)(C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654291 492333584 /nfs/dbraw/zinc/33/35/84/492333584.db2.gz WKCHBYKOSZKUGC-HRCADAONSA-N 2 2 356.511 0.582 10 0 FCAELP C[C@@H](CNC(=O)N1CC[NH+](CCO)C(C)(C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654291 492333585 /nfs/dbraw/zinc/33/35/85/492333585.db2.gz WKCHBYKOSZKUGC-HRCADAONSA-N 2 2 356.511 0.582 10 0 FCAELP C[C@@H](CNC(=O)NC(C)(C)C[NH+]1CCOCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654656873 492335103 /nfs/dbraw/zinc/33/51/03/492335103.db2.gz ZHWNYFFQTHSGDG-HRCADAONSA-N 2 2 356.511 0.894 10 0 FCAELP C[C@@H](CNC(=O)NC(C)(C)C[NH+]1CCOCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654656873 492335107 /nfs/dbraw/zinc/33/51/07/492335107.db2.gz ZHWNYFFQTHSGDG-HRCADAONSA-N 2 2 356.511 0.894 10 0 FCAELP C[C@@](O)(C[C@H](O)C[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)C1CC1 ZINC000634700286 492360916 /nfs/dbraw/zinc/36/09/16/492360916.db2.gz WRDMIPYSDXZJHQ-PKOBYXMFSA-N 2 2 363.506 0.490 10 0 FCAELP CN1CCCC[C@H]([NH+](C)CC(O)C[N@@H+](C)[C@H]2CCCCN(C)C2=O)C1=O ZINC000634743618 492366678 /nfs/dbraw/zinc/36/66/78/492366678.db2.gz ZKAFGPBSPBOSBR-IRXDYDNUSA-N 2 2 368.522 0.233 10 0 FCAELP CN1CCCC[C@H]([NH+](C)CC(O)C[N@H+](C)[C@H]2CCCCN(C)C2=O)C1=O ZINC000634743618 492366681 /nfs/dbraw/zinc/36/66/81/492366681.db2.gz ZKAFGPBSPBOSBR-IRXDYDNUSA-N 2 2 368.522 0.233 10 0 FCAELP Cc1[nH+]c2cc(NC(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)ccc2n1C ZINC000654907607 492376538 /nfs/dbraw/zinc/37/65/38/492376538.db2.gz NWPSGROQALWETM-UONOGXRCSA-N 2 2 357.414 0.098 10 0 FCAELP Cc1[nH+]c2cc(NC(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)ccc2n1C ZINC000654907607 492376541 /nfs/dbraw/zinc/37/65/41/492376541.db2.gz NWPSGROQALWETM-UONOGXRCSA-N 2 2 357.414 0.098 10 0 FCAELP O=C(CN1CC[NH2+]CC1=O)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000648048368 492395327 /nfs/dbraw/zinc/39/53/27/492395327.db2.gz MSDPFILDTBVUDI-HNNXBMFYSA-N 2 2 362.499 0.651 10 0 FCAELP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)NCC[NH2+]C3CC3)CC2)s1 ZINC000642918277 492403010 /nfs/dbraw/zinc/40/30/10/492403010.db2.gz QVLNGQBBUVZTCD-UHFFFAOYSA-N 2 2 364.515 0.823 10 0 FCAELP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NCc1[nH+]ccn1CC(F)(F)F)C2 ZINC000621844897 492425542 /nfs/dbraw/zinc/42/55/42/492425542.db2.gz ZCJRBWFUJJRWTC-YGRLFVJLSA-N 2 2 359.352 0.401 10 0 FCAELP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)C2 ZINC000622027768 492443663 /nfs/dbraw/zinc/44/36/63/492443663.db2.gz HQXDDMLXZXFESJ-GJYPPUQNSA-N 2 2 364.490 0.040 10 0 FCAELP O=C(NCc1ccc2c[nH+]cn2c1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000643418352 492452896 /nfs/dbraw/zinc/45/28/96/492452896.db2.gz GJFUMLKTPHSXAF-QGZVFWFLSA-N 2 2 371.441 0.274 10 0 FCAELP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000648777226 492454952 /nfs/dbraw/zinc/45/49/52/492454952.db2.gz UHUVIKWFJDIPKK-OAHLLOKOSA-N 2 2 360.462 1.564 10 0 FCAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000648814093 492461190 /nfs/dbraw/zinc/46/11/90/492461190.db2.gz NFUPIKWMIRBSGQ-CABCVRRESA-N 2 2 370.519 0.974 10 0 FCAELP CC1(C)C[NH+](CC(=O)N[C@@H]2CCCN(C(=O)C[NH+]3CC(C)(C)C3)C2)C1 ZINC000628216783 492482546 /nfs/dbraw/zinc/48/25/46/492482546.db2.gz ZYBXZLCRKDTXOB-OAHLLOKOSA-N 2 2 350.507 0.777 10 0 FCAELP CC[C@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)[N@@H+]1CCO[C@H](CC)C1 ZINC000649070838 492488933 /nfs/dbraw/zinc/48/89/33/492488933.db2.gz WPJJCOVTRBLKRX-BZUAXINKSA-N 2 2 354.495 0.454 10 0 FCAELP CC[C@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)[N@H+]1CCO[C@H](CC)C1 ZINC000649070838 492488937 /nfs/dbraw/zinc/48/89/37/492488937.db2.gz WPJJCOVTRBLKRX-BZUAXINKSA-N 2 2 354.495 0.454 10 0 FCAELP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655922920 492489885 /nfs/dbraw/zinc/48/98/85/492489885.db2.gz UZQOWXGOHFARGE-NEPJUHHUSA-N 2 2 365.400 0.214 10 0 FCAELP CCOC1CC(CNC(=O)N[C@H](C[NH3+])C(F)(F)F)([NH+]2CCOCC2)C1 ZINC000655929540 492490475 /nfs/dbraw/zinc/49/04/75/492490475.db2.gz UNSPWXHZEDYPFH-MBHSVXNSSA-N 2 2 368.400 0.445 10 0 FCAELP C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655954609 492495975 /nfs/dbraw/zinc/49/59/75/492495975.db2.gz AMRNSMGRFUXMLA-SOUVJXGZSA-N 2 2 374.485 0.885 10 0 FCAELP C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655954609 492495978 /nfs/dbraw/zinc/49/59/78/492495978.db2.gz AMRNSMGRFUXMLA-SOUVJXGZSA-N 2 2 374.485 0.885 10 0 FCAELP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)CC1 ZINC000643594126 492503548 /nfs/dbraw/zinc/50/35/48/492503548.db2.gz USNWEWQBTMYRGK-UHFFFAOYSA-N 2 2 370.497 0.994 10 0 FCAELP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000656072546 492534039 /nfs/dbraw/zinc/53/40/39/492534039.db2.gz QNGWTICVDJVVBB-XYJFISCASA-N 2 2 373.501 0.743 10 0 FCAELP C[C@@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)[C@H](C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623260864 492535200 /nfs/dbraw/zinc/53/52/00/492535200.db2.gz TUAXKPPOXGYVIM-LVEBTZEWSA-N 2 2 356.430 0.134 10 0 FCAELP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656083929 492545132 /nfs/dbraw/zinc/54/51/32/492545132.db2.gz PKYSCQXKBHCHGE-NXOAAHMSSA-N 2 2 368.522 0.589 10 0 FCAELP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656083929 492545134 /nfs/dbraw/zinc/54/51/34/492545134.db2.gz PKYSCQXKBHCHGE-NXOAAHMSSA-N 2 2 368.522 0.589 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000649415032 492552846 /nfs/dbraw/zinc/55/28/46/492552846.db2.gz FTWPEQHVBWNTBX-OTWHNJEPSA-N 3 2 366.550 0.923 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000649415032 492552848 /nfs/dbraw/zinc/55/28/48/492552848.db2.gz FTWPEQHVBWNTBX-OTWHNJEPSA-N 3 2 366.550 0.923 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000649415032 492552849 /nfs/dbraw/zinc/55/28/49/492552849.db2.gz FTWPEQHVBWNTBX-OTWHNJEPSA-N 3 2 366.550 0.923 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000649415032 492552852 /nfs/dbraw/zinc/55/28/52/492552852.db2.gz FTWPEQHVBWNTBX-OTWHNJEPSA-N 3 2 366.550 0.923 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(C3(O)CC3)CC2)C1 ZINC000649674938 492570144 /nfs/dbraw/zinc/57/01/44/492570144.db2.gz ILZIBHLFUNPGPU-QGZVFWFLSA-N 2 2 353.507 0.696 10 0 FCAELP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656308697 492583643 /nfs/dbraw/zinc/58/36/43/492583643.db2.gz DGHOHTOYJSXICJ-MWDXBVQZSA-N 2 2 368.522 0.591 10 0 FCAELP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656308697 492583645 /nfs/dbraw/zinc/58/36/45/492583645.db2.gz DGHOHTOYJSXICJ-MWDXBVQZSA-N 2 2 368.522 0.591 10 0 FCAELP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656308697 492583648 /nfs/dbraw/zinc/58/36/48/492583648.db2.gz DGHOHTOYJSXICJ-MWDXBVQZSA-N 2 2 368.522 0.591 10 0 FCAELP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656308697 492583649 /nfs/dbraw/zinc/58/36/49/492583649.db2.gz DGHOHTOYJSXICJ-MWDXBVQZSA-N 2 2 368.522 0.591 10 0 FCAELP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656308699 492583674 /nfs/dbraw/zinc/58/36/74/492583674.db2.gz DGHOHTOYJSXICJ-NXOAAHMSSA-N 2 2 368.522 0.591 10 0 FCAELP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656308699 492583676 /nfs/dbraw/zinc/58/36/76/492583676.db2.gz DGHOHTOYJSXICJ-NXOAAHMSSA-N 2 2 368.522 0.591 10 0 FCAELP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656308699 492583680 /nfs/dbraw/zinc/58/36/80/492583680.db2.gz DGHOHTOYJSXICJ-NXOAAHMSSA-N 2 2 368.522 0.591 10 0 FCAELP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656308699 492583684 /nfs/dbraw/zinc/58/36/84/492583684.db2.gz DGHOHTOYJSXICJ-NXOAAHMSSA-N 2 2 368.522 0.591 10 0 FCAELP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656309970 492584314 /nfs/dbraw/zinc/58/43/14/492584314.db2.gz VSZYKGKAIAOHSZ-QXSJWSMHSA-N 2 2 356.511 0.447 10 0 FCAELP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656309970 492584317 /nfs/dbraw/zinc/58/43/17/492584317.db2.gz VSZYKGKAIAOHSZ-QXSJWSMHSA-N 2 2 356.511 0.447 10 0 FCAELP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656309970 492584319 /nfs/dbraw/zinc/58/43/19/492584319.db2.gz VSZYKGKAIAOHSZ-QXSJWSMHSA-N 2 2 356.511 0.447 10 0 FCAELP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656309970 492584321 /nfs/dbraw/zinc/58/43/21/492584321.db2.gz VSZYKGKAIAOHSZ-QXSJWSMHSA-N 2 2 356.511 0.447 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656322844 492592887 /nfs/dbraw/zinc/59/28/87/492592887.db2.gz WSHUVDUPSWXNMT-LVQVYYBASA-N 2 2 370.538 0.693 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656322844 492592890 /nfs/dbraw/zinc/59/28/90/492592890.db2.gz WSHUVDUPSWXNMT-LVQVYYBASA-N 2 2 370.538 0.693 10 0 FCAELP CN(C)S(=O)(=O)N1CC([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000623793972 492596199 /nfs/dbraw/zinc/59/61/99/492596199.db2.gz ALANVBBDTFVNJB-UHFFFAOYSA-N 2 2 353.492 0.126 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656333543 492597497 /nfs/dbraw/zinc/59/74/97/492597497.db2.gz IMQWKTOKIGXGIQ-ZVDSWSACSA-N 2 2 366.506 0.342 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656333543 492597502 /nfs/dbraw/zinc/59/75/02/492597502.db2.gz IMQWKTOKIGXGIQ-ZVDSWSACSA-N 2 2 366.506 0.342 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H](C)[NH+](C2CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656333543 492597507 /nfs/dbraw/zinc/59/75/07/492597507.db2.gz IMQWKTOKIGXGIQ-ZVDSWSACSA-N 2 2 366.506 0.342 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H](C)[NH+](C2CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656333543 492597510 /nfs/dbraw/zinc/59/75/10/492597510.db2.gz IMQWKTOKIGXGIQ-ZVDSWSACSA-N 2 2 366.506 0.342 10 0 FCAELP C[C@H](CNC(=O)C(=O)NCCCC[N@H+](C)C1CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656338756 492601414 /nfs/dbraw/zinc/60/14/14/492601414.db2.gz WZWCTADLGIPQFZ-OAGGEKHMSA-N 2 2 368.522 0.591 10 0 FCAELP C[C@H](CNC(=O)C(=O)NCCCC[N@@H+](C)C1CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656338756 492601417 /nfs/dbraw/zinc/60/14/17/492601417.db2.gz WZWCTADLGIPQFZ-OAGGEKHMSA-N 2 2 368.522 0.591 10 0 FCAELP C[C@H](CNC(=O)C(=O)NCCCC[NH+](C)C1CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656338756 492601420 /nfs/dbraw/zinc/60/14/20/492601420.db2.gz WZWCTADLGIPQFZ-OAGGEKHMSA-N 2 2 368.522 0.591 10 0 FCAELP C[C@H](CNC(=O)C(=O)NCCCC[NH+](C)C1CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656338756 492601425 /nfs/dbraw/zinc/60/14/25/492601425.db2.gz WZWCTADLGIPQFZ-OAGGEKHMSA-N 2 2 368.522 0.591 10 0 FCAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000656474381 492623961 /nfs/dbraw/zinc/62/39/61/492623961.db2.gz TZVYARJKERLHTJ-ROUUACIJSA-N 2 2 362.474 0.772 10 0 FCAELP C[NH+](C)CCN1CCN(C(=O)c2ccccc2C[NH+]2CCOCC2)CC1=O ZINC000650305380 492629973 /nfs/dbraw/zinc/62/99/73/492629973.db2.gz TXLOKCGKIWIENL-UHFFFAOYSA-N 2 2 374.485 0.365 10 0 FCAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CN(S(=O)(=O)N(C)C)C2)[C@@H](C)C1 ZINC000624283435 492633968 /nfs/dbraw/zinc/63/39/68/492633968.db2.gz OOUJINNCTGSDMY-GOEBONIOSA-N 2 2 362.540 0.204 10 0 FCAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CN(S(=O)(=O)N(C)C)C2)[C@@H](C)C1 ZINC000624283435 492633969 /nfs/dbraw/zinc/63/39/69/492633969.db2.gz OOUJINNCTGSDMY-GOEBONIOSA-N 2 2 362.540 0.204 10 0 FCAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000624280947 492634361 /nfs/dbraw/zinc/63/43/61/492634361.db2.gz VSFZXOXPOGNXDK-CRAIPNDOSA-N 2 2 366.531 0.977 10 0 FCAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000624280947 492634363 /nfs/dbraw/zinc/63/43/63/492634363.db2.gz VSFZXOXPOGNXDK-CRAIPNDOSA-N 2 2 366.531 0.977 10 0 FCAELP C[NH2+]CCOCC[N@H+](C)Cc1nnc2n1c1ccsc1c(=O)n2C ZINC000629571136 492648646 /nfs/dbraw/zinc/64/86/46/492648646.db2.gz QNKKGSCCYWLYFF-UHFFFAOYSA-N 2 2 350.448 0.311 10 0 FCAELP C[NH2+]CCOCC[N@@H+](C)Cc1nnc2n1c1ccsc1c(=O)n2C ZINC000629571136 492648647 /nfs/dbraw/zinc/64/86/47/492648647.db2.gz QNKKGSCCYWLYFF-UHFFFAOYSA-N 2 2 350.448 0.311 10 0 FCAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CC(=O)N1CCN(C(=O)c3ccco3)CC1)C2 ZINC000629584437 492656489 /nfs/dbraw/zinc/65/64/89/492656489.db2.gz TZSRFTPDDNKZNU-KDURUIRLSA-N 2 2 360.458 0.495 10 0 FCAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC(=O)N1CCN(C(=O)c3ccco3)CC1)C2 ZINC000629584437 492656493 /nfs/dbraw/zinc/65/64/93/492656493.db2.gz TZSRFTPDDNKZNU-KDURUIRLSA-N 2 2 360.458 0.495 10 0 FCAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CC(=O)NCCOc1ccc3c(c1)OCO3)C2 ZINC000629584953 492657394 /nfs/dbraw/zinc/65/73/94/492657394.db2.gz GYIMISNFPBJIFG-KDURUIRLSA-N 2 2 361.442 0.842 10 0 FCAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC(=O)NCCOc1ccc3c(c1)OCO3)C2 ZINC000629584953 492657397 /nfs/dbraw/zinc/65/73/97/492657397.db2.gz GYIMISNFPBJIFG-KDURUIRLSA-N 2 2 361.442 0.842 10 0 FCAELP C[NH+](C)CCN1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1=O ZINC000650735644 492664986 /nfs/dbraw/zinc/66/49/86/492664986.db2.gz UPAPEBHVFXIIQF-UHFFFAOYSA-N 2 2 370.457 0.788 10 0 FCAELP C[NH+]1CCC(CNC(=O)N[C@H]2C[C@H](C(N)=O)C2)([NH+]2CCCCC2)CC1 ZINC000624626193 492667866 /nfs/dbraw/zinc/66/78/66/492667866.db2.gz JSPKYULXLUGPCO-SHTZXODSSA-N 2 2 351.495 0.500 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC(C)(C)O[C@@H]4COC[C@H]43)C2)CC1 ZINC000650877213 492679893 /nfs/dbraw/zinc/67/98/93/492679893.db2.gz PTSMZYXDGXIOGA-DJIMGWMZSA-N 2 2 366.506 0.743 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC(C)(C)O[C@@H]4COC[C@H]43)C2)CC1 ZINC000650877213 492679895 /nfs/dbraw/zinc/67/98/95/492679895.db2.gz PTSMZYXDGXIOGA-DJIMGWMZSA-N 2 2 366.506 0.743 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1ccc2[nH]c(=O)cnc2c1 ZINC000657091193 492715418 /nfs/dbraw/zinc/71/54/18/492715418.db2.gz JXOKCPZNBOJZBX-UHFFFAOYSA-N 2 2 367.475 0.085 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1ccc2[nH]c(=O)cnc2c1 ZINC000657091193 492715420 /nfs/dbraw/zinc/71/54/20/492715420.db2.gz JXOKCPZNBOJZBX-UHFFFAOYSA-N 2 2 367.475 0.085 10 0 FCAELP CC[NH+](CC)CC(=O)N1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000651259465 492728930 /nfs/dbraw/zinc/72/89/30/492728930.db2.gz RNADVAHWFCHIBN-UHFFFAOYSA-N 2 2 361.490 0.775 10 0 FCAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000651256112 492728990 /nfs/dbraw/zinc/72/89/90/492728990.db2.gz UZMNMMHAZGNIHI-UHFFFAOYSA-N 2 2 359.474 0.529 10 0 FCAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCC[C@@]3(O)CCOC3)CC2)CC1 ZINC000651288084 492736142 /nfs/dbraw/zinc/73/61/42/492736142.db2.gz BKZAFGZPSAHKKX-LJQANCHMSA-N 2 2 368.522 0.730 10 0 FCAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCC[C@@]3(O)CCOC3)CC2)CC1 ZINC000651288084 492736145 /nfs/dbraw/zinc/73/61/45/492736145.db2.gz BKZAFGZPSAHKKX-LJQANCHMSA-N 2 2 368.522 0.730 10 0 FCAELP Cn1ncc(C2CCC2)c1C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000657368663 492750263 /nfs/dbraw/zinc/75/02/63/492750263.db2.gz ZXCZFHSBFOVICZ-INIZCTEOSA-N 2 2 361.490 0.710 10 0 FCAELP CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccn3cc(C)[nH+]c3c2)CC1 ZINC000657714595 492781548 /nfs/dbraw/zinc/78/15/48/492781548.db2.gz BIOGLNBJPJDEPK-OAHLLOKOSA-N 2 2 359.430 0.496 10 0 FCAELP Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000644569140 492785658 /nfs/dbraw/zinc/78/56/58/492785658.db2.gz MAMLVUFLTRJWKE-RTBURBONSA-N 2 2 363.502 0.731 10 0 FCAELP CC[C@@H](C)[C@H](NC(=O)Cn1c[nH+]cc1C)C(=O)NCC[NH+]1CCOCC1 ZINC000625483773 492796966 /nfs/dbraw/zinc/79/69/66/492796966.db2.gz VQCMPMNDVIHWDH-PBHICJAKSA-N 2 2 365.478 0.171 10 0 FCAELP C[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000644710863 492799625 /nfs/dbraw/zinc/79/96/25/492799625.db2.gz MHTHXQPZIYGXEC-DLBZAZTESA-N 2 2 355.504 0.445 10 0 FCAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000644710863 492799629 /nfs/dbraw/zinc/79/96/29/492799629.db2.gz MHTHXQPZIYGXEC-DLBZAZTESA-N 2 2 355.504 0.445 10 0 FCAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000644710863 492799630 /nfs/dbraw/zinc/79/96/30/492799630.db2.gz MHTHXQPZIYGXEC-DLBZAZTESA-N 2 2 355.504 0.445 10 0 FCAELP Cc1cnn(C)c1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000657839391 492800974 /nfs/dbraw/zinc/80/09/74/492800974.db2.gz UAINOVJWDGLKTM-OAHLLOKOSA-N 2 2 362.478 0.294 10 0 FCAELP Cc1cnn(C)c1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000657839391 492800976 /nfs/dbraw/zinc/80/09/76/492800976.db2.gz UAINOVJWDGLKTM-OAHLLOKOSA-N 2 2 362.478 0.294 10 0 FCAELP CCc1ccncc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000651711040 492810885 /nfs/dbraw/zinc/81/08/85/492810885.db2.gz XMZBIIFHJXWUNM-HNNXBMFYSA-N 2 2 359.474 0.867 10 0 FCAELP CCc1ccncc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000651711040 492810889 /nfs/dbraw/zinc/81/08/89/492810889.db2.gz XMZBIIFHJXWUNM-HNNXBMFYSA-N 2 2 359.474 0.867 10 0 FCAELP COC[C@@H](CC1CCOCC1)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000657918446 492814317 /nfs/dbraw/zinc/81/43/17/492814317.db2.gz CPMDYMFITSLABC-ZWKOTPCHSA-N 2 2 369.506 0.341 10 0 FCAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC[N@H+](CC(=O)N3CCCC3)CC1)CC2 ZINC000625544715 492816396 /nfs/dbraw/zinc/81/63/96/492816396.db2.gz YSHAPRCNOSQZDX-QGZVFWFLSA-N 2 2 373.501 0.911 10 0 FCAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC[N@@H+](CC(=O)N3CCCC3)CC1)CC2 ZINC000625544715 492816398 /nfs/dbraw/zinc/81/63/98/492816398.db2.gz YSHAPRCNOSQZDX-QGZVFWFLSA-N 2 2 373.501 0.911 10 0 FCAELP Cc1ccc(N2CCC(C(=O)N[C@@H](CO)C[NH+]3CCOCC3)CC2)[nH+]c1 ZINC000644886066 492819689 /nfs/dbraw/zinc/81/96/89/492819689.db2.gz WCDAJLUXYORUCC-QGZVFWFLSA-N 2 2 362.474 0.416 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000625570841 492823393 /nfs/dbraw/zinc/82/33/93/492823393.db2.gz PXGVOXHMWAVQEF-RDJZCZTQSA-N 2 2 366.506 0.299 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000625570841 492823395 /nfs/dbraw/zinc/82/33/95/492823395.db2.gz PXGVOXHMWAVQEF-RDJZCZTQSA-N 2 2 366.506 0.299 10 0 FCAELP CN1c2ccccc2C[C@@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1=O ZINC000658111030 492840830 /nfs/dbraw/zinc/84/08/30/492840830.db2.gz LAXFZWSNXWEQSV-LJQANCHMSA-N 2 2 372.513 0.960 10 0 FCAELP CN1c2ccccc2C[C@@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1=O ZINC000658111030 492840834 /nfs/dbraw/zinc/84/08/34/492840834.db2.gz LAXFZWSNXWEQSV-LJQANCHMSA-N 2 2 372.513 0.960 10 0 FCAELP C[C@H](CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000631724200 492841243 /nfs/dbraw/zinc/84/12/43/492841243.db2.gz YQVSFSHKARGORP-QAPCUYQASA-N 2 2 367.515 0.683 10 0 FCAELP C[C@H](CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000631724200 492841247 /nfs/dbraw/zinc/84/12/47/492841247.db2.gz YQVSFSHKARGORP-QAPCUYQASA-N 2 2 367.515 0.683 10 0 FCAELP C[C@H](CNS(=O)(=O)C[C@@H]1C[NH+](C)CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000631724200 492841251 /nfs/dbraw/zinc/84/12/51/492841251.db2.gz YQVSFSHKARGORP-QAPCUYQASA-N 2 2 367.515 0.683 10 0 FCAELP C[C@H](CNS(=O)(=O)C[C@@H]1C[NH+](C)CCO1)[N@H+]1CCc2ccccc2C1 ZINC000631724200 492841255 /nfs/dbraw/zinc/84/12/55/492841255.db2.gz YQVSFSHKARGORP-QAPCUYQASA-N 2 2 367.515 0.683 10 0 FCAELP C[C@@H]1C[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C[C@H]1C[NH3+] ZINC000631844328 492860856 /nfs/dbraw/zinc/86/08/56/492860856.db2.gz WLPVLSLLFFRSFI-CHWSQXEVSA-N 2 2 354.476 0.402 10 0 FCAELP C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C[C@H]1C[NH3+] ZINC000631844328 492860861 /nfs/dbraw/zinc/86/08/61/492860861.db2.gz WLPVLSLLFFRSFI-CHWSQXEVSA-N 2 2 354.476 0.402 10 0 FCAELP COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631885922 492869395 /nfs/dbraw/zinc/86/93/95/492869395.db2.gz FCYZUHLBKAFVOU-JKSUJKDBSA-N 2 2 374.485 0.978 10 0 FCAELP COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631885922 492869399 /nfs/dbraw/zinc/86/93/99/492869399.db2.gz FCYZUHLBKAFVOU-JKSUJKDBSA-N 2 2 374.485 0.978 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H]3C[NH2+]CC[C@H]32)C1 ZINC000631889312 492870473 /nfs/dbraw/zinc/87/04/73/492870473.db2.gz IGFKONVQCJPFTO-RCCFBDPRSA-N 3 2 352.523 0.533 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H]3C[NH2+]CC[C@H]32)C1 ZINC000631889312 492870477 /nfs/dbraw/zinc/87/04/77/492870477.db2.gz IGFKONVQCJPFTO-RCCFBDPRSA-N 3 2 352.523 0.533 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)C1 ZINC000631889312 492870483 /nfs/dbraw/zinc/87/04/83/492870483.db2.gz IGFKONVQCJPFTO-RCCFBDPRSA-N 3 2 352.523 0.533 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)C1 ZINC000631889312 492870487 /nfs/dbraw/zinc/87/04/87/492870487.db2.gz IGFKONVQCJPFTO-RCCFBDPRSA-N 3 2 352.523 0.533 10 0 FCAELP O=C(CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)N1CCN(c2ncccn2)CC1 ZINC000631888755 492870703 /nfs/dbraw/zinc/87/07/03/492870703.db2.gz AGDPCUIZSXHDDF-SJORKVTESA-N 2 2 358.490 0.589 10 0 FCAELP O=C(CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)N1CCN(c2ncccn2)CC1 ZINC000631888755 492870706 /nfs/dbraw/zinc/87/07/06/492870706.db2.gz AGDPCUIZSXHDDF-SJORKVTESA-N 2 2 358.490 0.589 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1CCC(C[NH+]3CCCC3)CC1)CC2 ZINC000658400414 492870875 /nfs/dbraw/zinc/87/08/75/492870875.db2.gz PYZPPIGCDXUGOH-UHFFFAOYSA-N 2 2 359.474 0.868 10 0 FCAELP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000631911089 492876945 /nfs/dbraw/zinc/87/69/45/492876945.db2.gz VQGBFASRZNMXCG-KRWDZBQOSA-N 2 2 353.488 0.165 10 0 FCAELP Cn1cc[nH+]c1[C@H](NS(=O)(=O)C[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000631911020 492876994 /nfs/dbraw/zinc/87/69/94/492876994.db2.gz TYDVKLNNAUPMCX-LSDHHAIUSA-N 2 2 350.444 0.417 10 0 FCAELP CCC(CC)[C@@H](CNS(=O)(=O)C[C@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000631911632 492877952 /nfs/dbraw/zinc/87/79/52/492877952.db2.gz MGDFOICMIQBCMD-HZPDHXFCSA-N 2 2 363.524 0.031 10 0 FCAELP Cc1cc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)n(C(C)(C)C)n1 ZINC000658425665 492884528 /nfs/dbraw/zinc/88/45/28/492884528.db2.gz CRQZDBNCRCQJIJ-UHFFFAOYSA-N 2 2 366.510 0.885 10 0 FCAELP Cc1cc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)n(C(C)(C)C)n1 ZINC000658425665 492884531 /nfs/dbraw/zinc/88/45/31/492884531.db2.gz CRQZDBNCRCQJIJ-UHFFFAOYSA-N 2 2 366.510 0.885 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000658426470 492884772 /nfs/dbraw/zinc/88/47/72/492884772.db2.gz HOXCQPQGURUCCW-UHFFFAOYSA-N 2 2 370.523 0.774 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000658426470 492884776 /nfs/dbraw/zinc/88/47/76/492884776.db2.gz HOXCQPQGURUCCW-UHFFFAOYSA-N 2 2 370.523 0.774 10 0 FCAELP Cc1ccc(C(N)=O)cc1NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000658426926 492885475 /nfs/dbraw/zinc/88/54/75/492885475.db2.gz LLHZGXICZJAIOR-UHFFFAOYSA-N 2 2 363.462 0.032 10 0 FCAELP Cc1ccc(C(N)=O)cc1NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000658426926 492885478 /nfs/dbraw/zinc/88/54/78/492885478.db2.gz LLHZGXICZJAIOR-UHFFFAOYSA-N 2 2 363.462 0.032 10 0 FCAELP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000658431409 492887967 /nfs/dbraw/zinc/88/79/67/492887967.db2.gz AIGDSBJPNMHYBZ-HZPDHXFCSA-N 2 2 366.506 0.299 10 0 FCAELP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000658431409 492887973 /nfs/dbraw/zinc/88/79/73/492887973.db2.gz AIGDSBJPNMHYBZ-HZPDHXFCSA-N 2 2 366.506 0.299 10 0 FCAELP CCC[N@H+](CC)CCNC(=O)[C@@H]1OCC(=O)N(CC)[C@H]1c1[nH+]ccn1C ZINC000625968104 492909389 /nfs/dbraw/zinc/90/93/89/492909389.db2.gz VWTHBSKNUAXLCG-HZPDHXFCSA-N 2 2 365.478 0.557 10 0 FCAELP CCC[N@@H+](CC)CCNC(=O)[C@@H]1OCC(=O)N(CC)[C@H]1c1[nH+]ccn1C ZINC000625968104 492909395 /nfs/dbraw/zinc/90/93/95/492909395.db2.gz VWTHBSKNUAXLCG-HZPDHXFCSA-N 2 2 365.478 0.557 10 0 FCAELP CCO[C@@H]1C[N@H+](CCN(Cc2ccccc2)S(C)(=O)=O)C[C@H]1C[NH3+] ZINC000652355653 492914319 /nfs/dbraw/zinc/91/43/19/492914319.db2.gz CASAIJRIGTUNQU-IAGOWNOFSA-N 2 2 355.504 0.744 10 0 FCAELP CCO[C@@H]1C[N@@H+](CCN(Cc2ccccc2)S(C)(=O)=O)C[C@H]1C[NH3+] ZINC000652355653 492914322 /nfs/dbraw/zinc/91/43/22/492914322.db2.gz CASAIJRIGTUNQU-IAGOWNOFSA-N 2 2 355.504 0.744 10 0 FCAELP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)C[C@H]1C[NH3+] ZINC000652357445 492915180 /nfs/dbraw/zinc/91/51/80/492915180.db2.gz PTETVMYORIANFG-ATNYBXOESA-N 2 2 363.458 0.627 10 0 FCAELP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)C[C@H]1C[NH3+] ZINC000652357445 492915186 /nfs/dbraw/zinc/91/51/86/492915186.db2.gz PTETVMYORIANFG-ATNYBXOESA-N 2 2 363.458 0.627 10 0 FCAELP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+](C)[C@H]3C[C@@H](C(N)=O)C3)CC2)cc1 ZINC000626039084 492921870 /nfs/dbraw/zinc/92/18/70/492921870.db2.gz OUDOYPLTLAMMGJ-CALCHBBNSA-N 2 2 374.485 0.535 10 0 FCAELP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+](C)[C@H]3C[C@@H](C(N)=O)C3)CC2)cc1 ZINC000626039084 492921875 /nfs/dbraw/zinc/92/18/75/492921875.db2.gz OUDOYPLTLAMMGJ-CALCHBBNSA-N 2 2 374.485 0.535 10 0 FCAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[C@@H](OCC[NH+]3CCOCC3)C1)CC2 ZINC000626105937 492933746 /nfs/dbraw/zinc/93/37/46/492933746.db2.gz VJQIKXDUPYSGDZ-DLBZAZTESA-N 2 2 362.474 0.704 10 0 FCAELP O=C(C[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21)NCc1ccccc1C[NH+]1CCOCC1 ZINC000626137773 492935970 /nfs/dbraw/zinc/93/59/70/492935970.db2.gz VWHHQSDAIXITEC-LDQXTDLNSA-N 2 2 373.497 0.980 10 0 FCAELP O=C(C[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21)NCc1ccccc1C[NH+]1CCOCC1 ZINC000626137773 492935973 /nfs/dbraw/zinc/93/59/73/492935973.db2.gz VWHHQSDAIXITEC-LDQXTDLNSA-N 2 2 373.497 0.980 10 0 FCAELP CC(C)Cn1cc[nH+]c1CNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632180913 492945023 /nfs/dbraw/zinc/94/50/23/492945023.db2.gz PWRBNIZCPIYNRX-UHFFFAOYSA-N 2 2 357.524 0.596 10 0 FCAELP COc1ccc([C@@H](C[NH+](C)C)NS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)cc1 ZINC000632319290 492972385 /nfs/dbraw/zinc/97/23/85/492972385.db2.gz UTEKAIAOUNYVOQ-IAGOWNOFSA-N 2 2 371.503 0.548 10 0 FCAELP COc1ccc([C@@H](C[NH+](C)C)NS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000632319290 492972389 /nfs/dbraw/zinc/97/23/89/492972389.db2.gz UTEKAIAOUNYVOQ-IAGOWNOFSA-N 2 2 371.503 0.548 10 0 FCAELP CN(CCC[N@H+](C)Cc1ccco1)S(=O)(=O)C[C@@H]1C[NH+](C)CCO1 ZINC000632335492 492976716 /nfs/dbraw/zinc/97/67/16/492976716.db2.gz KOMZUWSLQYOTTK-INIZCTEOSA-N 2 2 359.492 0.694 10 0 FCAELP CN(CCC[N@@H+](C)Cc1ccco1)S(=O)(=O)C[C@@H]1C[NH+](C)CCO1 ZINC000632335492 492976721 /nfs/dbraw/zinc/97/67/21/492976721.db2.gz KOMZUWSLQYOTTK-INIZCTEOSA-N 2 2 359.492 0.694 10 0 FCAELP CN(CCC[NH+](C)Cc1ccco1)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632335492 492976725 /nfs/dbraw/zinc/97/67/25/492976725.db2.gz KOMZUWSLQYOTTK-INIZCTEOSA-N 2 2 359.492 0.694 10 0 FCAELP CN(CCC[NH+](C)Cc1ccco1)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632335492 492976727 /nfs/dbraw/zinc/97/67/27/492976727.db2.gz KOMZUWSLQYOTTK-INIZCTEOSA-N 2 2 359.492 0.694 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@]3([NH3+])[C@H]4CCCO[C@@H]4C3(C)C)C2)CC1 ZINC000645978176 492995344 /nfs/dbraw/zinc/99/53/44/492995344.db2.gz WCIRWUNJDPNZBT-JWWIWJDOSA-N 3 2 364.534 0.804 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@]3([NH3+])[C@H]4CCCO[C@@H]4C3(C)C)C2)CC1 ZINC000645978176 492995347 /nfs/dbraw/zinc/99/53/47/492995347.db2.gz WCIRWUNJDPNZBT-JWWIWJDOSA-N 3 2 364.534 0.804 10 0 FCAELP C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632441814 492998666 /nfs/dbraw/zinc/99/86/66/492998666.db2.gz LGHIWXKYFQHPRK-OAHLLOKOSA-N 2 2 361.533 0.772 10 0 FCAELP C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632441814 492998669 /nfs/dbraw/zinc/99/86/69/492998669.db2.gz LGHIWXKYFQHPRK-OAHLLOKOSA-N 2 2 361.533 0.772 10 0 FCAELP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)C(=O)N3CC[NH+](C4CC4)CC3)C2)C1 ZINC000652726969 493005804 /nfs/dbraw/zinc/00/58/04/493005804.db2.gz WZQLQCFVYKGBQH-ZMSDIMECSA-N 2 2 364.490 0.038 10 0 FCAELP C[NH+](C)CCN1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)CC1=O ZINC000652735527 493012059 /nfs/dbraw/zinc/01/20/59/493012059.db2.gz MVBFXCKLPOEJRU-UHFFFAOYSA-N 2 2 374.485 0.365 10 0 FCAELP C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C[NH2+]1 ZINC000626887467 493051280 /nfs/dbraw/zinc/05/12/80/493051280.db2.gz MNAMETIZYWMSDE-HOCLYGCPSA-N 2 2 360.458 0.714 10 0 FCAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000626889156 493051744 /nfs/dbraw/zinc/05/17/44/493051744.db2.gz ASCLXYUQWKJWON-GXTWGEPZSA-N 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ZINC000659093724 493149213 /nfs/dbraw/zinc/14/92/13/493149213.db2.gz ASLFPSBBAFZQOO-LSDHHAIUSA-N 2 2 362.474 0.960 10 0 FCAELP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)NCCOCCC[NH3+])c1ccccc1 ZINC000627317778 493149722 /nfs/dbraw/zinc/14/97/22/493149722.db2.gz XQHMNEAOZVWHJT-OAHLLOKOSA-N 2 2 359.430 0.107 10 0 FCAELP [NH3+]CC12CC(C1)CN2C(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000659100625 493152770 /nfs/dbraw/zinc/15/27/70/493152770.db2.gz XVMHCFVWBGADER-UHFFFAOYSA-N 2 2 358.442 0.407 10 0 FCAELP CN(CCOCC[NH3+])C(=O)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000627325107 493154031 /nfs/dbraw/zinc/15/40/31/493154031.db2.gz YFRLFEGHBJFACX-UHFFFAOYSA-N 2 2 353.810 0.038 10 0 FCAELP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000659378719 493199534 /nfs/dbraw/zinc/19/95/34/493199534.db2.gz IFPFPMITZYMHCT-UHFFFAOYSA-N 2 2 365.478 0.351 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627425720 493213682 /nfs/dbraw/zinc/21/36/82/493213682.db2.gz 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C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC3CCC(C(N)=O)CC3)C2)CC1 ZINC000673878808 493371057 /nfs/dbraw/zinc/37/10/57/493371057.db2.gz PKPKIBSONYMQKM-NRXISQOPSA-N 2 2 351.495 0.498 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC3CCC(C(N)=O)CC3)C2)CC1 ZINC000673878808 493371060 /nfs/dbraw/zinc/37/10/60/493371060.db2.gz PKPKIBSONYMQKM-NRXISQOPSA-N 2 2 351.495 0.498 10 0 FCAELP COC[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1)C1CCOCC1 ZINC000661159205 493413923 /nfs/dbraw/zinc/41/39/23/493413923.db2.gz SFQWQVTUBBVICN-GOSISDBHSA-N 2 2 365.474 0.955 10 0 FCAELP CCN1C(=O)[C@@H]2C[N@H+](C[C@H](O)C[NH+](C)Cc3ccccc3)CCN2C1=O ZINC000674470592 493419341 /nfs/dbraw/zinc/41/93/41/493419341.db2.gz ZPZKRJZPJGQPAZ-SJORKVTESA-N 2 2 360.458 0.448 10 0 FCAELP CCN1C(=O)[C@@H]2C[N@@H+](C[C@H](O)C[NH+](C)Cc3ccccc3)CCN2C1=O ZINC000674470592 493419343 /nfs/dbraw/zinc/41/93/43/493419343.db2.gz ZPZKRJZPJGQPAZ-SJORKVTESA-N 2 2 360.458 0.448 10 0 FCAELP CCN1C(=O)[C@@H]2C[NH+](C[C@H](O)C[N@H+](C)Cc3ccccc3)CCN2C1=O ZINC000674470592 493419345 /nfs/dbraw/zinc/41/93/45/493419345.db2.gz ZPZKRJZPJGQPAZ-SJORKVTESA-N 2 2 360.458 0.448 10 0 FCAELP CCN1C(=O)[C@@H]2C[NH+](C[C@H](O)C[N@@H+](C)Cc3ccccc3)CCN2C1=O ZINC000674470592 493419347 /nfs/dbraw/zinc/41/93/47/493419347.db2.gz ZPZKRJZPJGQPAZ-SJORKVTESA-N 2 2 360.458 0.448 10 0 FCAELP C[C@H](NC(=O)NCC(=O)NCC[NH+]1CCCCCC1)c1[nH+]ccn1C ZINC000661231292 493420444 /nfs/dbraw/zinc/42/04/44/493420444.db2.gz LKTZNLOWUFUICB-AWEZNQCLSA-N 2 2 350.467 0.773 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(OCCCO)CC2)C1 ZINC000674913273 493458931 /nfs/dbraw/zinc/45/89/31/493458931.db2.gz DZUMJSCUAIYNPB-GOSISDBHSA-N 2 2 371.522 0.323 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(OCCCO)CC2)C1 ZINC000674913273 493458934 /nfs/dbraw/zinc/45/89/34/493458934.db2.gz DZUMJSCUAIYNPB-GOSISDBHSA-N 2 2 371.522 0.323 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC(OCCCO)CC3)C2)CC1 ZINC000674981479 493462898 /nfs/dbraw/zinc/46/28/98/493462898.db2.gz XLROTKJNBYRJFQ-MRXNPFEDSA-N 2 2 368.522 0.728 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC(OCCCO)CC3)C2)CC1 ZINC000674981479 493462901 /nfs/dbraw/zinc/46/29/01/493462901.db2.gz XLROTKJNBYRJFQ-MRXNPFEDSA-N 2 2 368.522 0.728 10 0 FCAELP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)cn1 ZINC000669167739 493471661 /nfs/dbraw/zinc/47/16/61/493471661.db2.gz BBJZZAKSNNMBKL-GFCCVEGCSA-N 2 2 359.434 0.028 10 0 FCAELP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)cn1 ZINC000669167739 493471664 /nfs/dbraw/zinc/47/16/64/493471664.db2.gz BBJZZAKSNNMBKL-GFCCVEGCSA-N 2 2 359.434 0.028 10 0 FCAELP CC[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cccc2c1CC[NH2+]C2 ZINC000662250116 493499869 /nfs/dbraw/zinc/49/98/69/493499869.db2.gz YGQQTAQSYGPGFS-MRXNPFEDSA-N 2 2 365.499 0.458 10 0 FCAELP CC[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cccc2c1CC[NH2+]C2 ZINC000662250116 493499872 /nfs/dbraw/zinc/49/98/72/493499872.db2.gz YGQQTAQSYGPGFS-MRXNPFEDSA-N 2 2 365.499 0.458 10 0 FCAELP O=S(=O)(Cc1ccccc1)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662249520 493500097 /nfs/dbraw/zinc/50/00/97/493500097.db2.gz WDYUXTPVSDFPPO-KRWDZBQOSA-N 2 2 365.499 0.655 10 0 FCAELP COc1ccc(C(=O)NCC[NH+]2CCN(C[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000662264538 493501903 /nfs/dbraw/zinc/50/19/03/493501903.db2.gz SLWBCVMWOXZSBF-GOSISDBHSA-N 2 2 362.474 0.031 10 0 FCAELP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000662323327 493506114 /nfs/dbraw/zinc/50/61/14/493506114.db2.gz YSOBENFYIITNGB-IAGOWNOFSA-N 2 2 354.495 0.156 10 0 FCAELP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000662323327 493506115 /nfs/dbraw/zinc/50/61/15/493506115.db2.gz YSOBENFYIITNGB-IAGOWNOFSA-N 2 2 354.495 0.156 10 0 FCAELP C[NH+](C)CCC[C@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CCO1 ZINC000662322992 493506134 /nfs/dbraw/zinc/50/61/34/493506134.db2.gz OAWYEGVMDVBOAD-SFHVURJKSA-N 3 2 352.523 0.772 10 0 FCAELP C[NH+](C)CCC[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CCO1 ZINC000662322992 493506135 /nfs/dbraw/zinc/50/61/35/493506135.db2.gz OAWYEGVMDVBOAD-SFHVURJKSA-N 3 2 352.523 0.772 10 0 FCAELP C[N@@H+]1CCN(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)[C@@H](C[NH3+])C1 ZINC000669526061 493508837 /nfs/dbraw/zinc/50/88/37/493508837.db2.gz UBSKCSFWSZISDJ-STQMWFEESA-N 2 2 353.417 0.828 10 0 FCAELP C[N@H+]1CCN(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)[C@@H](C[NH3+])C1 ZINC000669526061 493508839 /nfs/dbraw/zinc/50/88/39/493508839.db2.gz UBSKCSFWSZISDJ-STQMWFEESA-N 2 2 353.417 0.828 10 0 FCAELP CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000676098269 493524754 /nfs/dbraw/zinc/52/47/54/493524754.db2.gz GETLXBDISJYQOF-OAHLLOKOSA-N 2 2 372.429 0.121 10 0 FCAELP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cc(C(C)(C)[NH3+])no2)CC1 ZINC000662673779 493530906 /nfs/dbraw/zinc/53/09/06/493530906.db2.gz QFPKRLMUVSORLS-UHFFFAOYSA-N 2 2 365.478 0.885 10 0 FCAELP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cc(C(C)(C)[NH3+])no2)CC1 ZINC000662673779 493530908 /nfs/dbraw/zinc/53/09/08/493530908.db2.gz QFPKRLMUVSORLS-UHFFFAOYSA-N 2 2 365.478 0.885 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)CC1 ZINC000676555058 493558439 /nfs/dbraw/zinc/55/84/39/493558439.db2.gz DFJXHWZOLWPMPS-QRQLOZEOSA-N 2 2 361.486 0.567 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](CO)[C@@H](O)C2)CC1 ZINC000676555058 493558441 /nfs/dbraw/zinc/55/84/41/493558441.db2.gz DFJXHWZOLWPMPS-QRQLOZEOSA-N 2 2 361.486 0.567 10 0 FCAELP C[NH+](C)CCOc1ccccc1C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000670385395 493560784 /nfs/dbraw/zinc/56/07/84/493560784.db2.gz ZIFXHDHVVUSQRD-OAHLLOKOSA-N 2 2 351.447 0.050 10 0 FCAELP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000676705825 493567918 /nfs/dbraw/zinc/56/79/18/493567918.db2.gz YHHMGSVUWPGHFO-SJORKVTESA-N 2 2 355.504 0.493 10 0 FCAELP CNS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000676705825 493567921 /nfs/dbraw/zinc/56/79/21/493567921.db2.gz YHHMGSVUWPGHFO-SJORKVTESA-N 2 2 355.504 0.493 10 0 FCAELP CNS(=O)(=O)C[C@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000676705825 493567923 /nfs/dbraw/zinc/56/79/23/493567923.db2.gz YHHMGSVUWPGHFO-SJORKVTESA-N 2 2 355.504 0.493 10 0 FCAELP CNS(=O)(=O)C[C@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000676705825 493567926 /nfs/dbraw/zinc/56/79/26/493567926.db2.gz YHHMGSVUWPGHFO-SJORKVTESA-N 2 2 355.504 0.493 10 0 FCAELP C[NH+]1CCN([C@H](C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c2ccccc2)CC1 ZINC000670446999 493568700 /nfs/dbraw/zinc/56/87/00/493568700.db2.gz CCVFRENATXKVOW-PMACEKPBSA-N 2 2 371.529 0.481 10 0 FCAELP C[NH+]1CCN([C@H](C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)c2ccccc2)CC1 ZINC000670446999 493568702 /nfs/dbraw/zinc/56/87/02/493568702.db2.gz CCVFRENATXKVOW-PMACEKPBSA-N 2 2 371.529 0.481 10 0 FCAELP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000670533292 493577562 /nfs/dbraw/zinc/57/75/62/493577562.db2.gz BRBNBHZPIOKNFW-ROUUACIJSA-N 2 2 374.485 0.214 10 0 FCAELP C[N@H+]1CCC[C@H](NC(=O)C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000670533292 493577563 /nfs/dbraw/zinc/57/75/63/493577563.db2.gz BRBNBHZPIOKNFW-ROUUACIJSA-N 2 2 374.485 0.214 10 0 FCAELP C[NH+]1CCC[C@H](NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000670533292 493577566 /nfs/dbraw/zinc/57/75/66/493577566.db2.gz BRBNBHZPIOKNFW-ROUUACIJSA-N 2 2 374.485 0.214 10 0 FCAELP C[NH+]1CCC[C@H](NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000670533292 493577568 /nfs/dbraw/zinc/57/75/68/493577568.db2.gz BRBNBHZPIOKNFW-ROUUACIJSA-N 2 2 374.485 0.214 10 0 FCAELP C[C@@H](C(=O)N1CCOC2(C[NH2+]C2)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000663489699 493592554 /nfs/dbraw/zinc/59/25/54/493592554.db2.gz JUFSZNFCMNPTEO-HNNXBMFYSA-N 2 2 362.449 0.537 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCc1nnc2n1CCCCC2 ZINC000663543512 493595714 /nfs/dbraw/zinc/59/57/14/493595714.db2.gz YIQHIHYEXMPJDD-UHFFFAOYSA-N 2 2 365.526 0.730 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCc1nnc2n1CCCCC2 ZINC000663543512 493595715 /nfs/dbraw/zinc/59/57/15/493595715.db2.gz YIQHIHYEXMPJDD-UHFFFAOYSA-N 2 2 365.526 0.730 10 0 FCAELP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000677411626 493599826 /nfs/dbraw/zinc/59/98/26/493599826.db2.gz MJSIGFDUXOAZPC-CYBMUJFWSA-N 2 2 365.397 0.955 10 0 FCAELP CCC(CC)[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000670819799 493600754 /nfs/dbraw/zinc/60/07/54/493600754.db2.gz MQVJLUKKONEYOW-IAGOWNOFSA-N 2 2 368.522 0.450 10 0 FCAELP CCC(CC)[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000670819799 493600755 /nfs/dbraw/zinc/60/07/55/493600755.db2.gz MQVJLUKKONEYOW-IAGOWNOFSA-N 2 2 368.522 0.450 10 0 FCAELP CNC(=O)c1cccc(OCC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000677549075 493607793 /nfs/dbraw/zinc/60/77/93/493607793.db2.gz ANJGQVQWVHEEFG-INIZCTEOSA-N 2 2 374.485 0.710 10 0 FCAELP CNC(=O)c1cccc(OCC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000677549075 493607796 /nfs/dbraw/zinc/60/77/96/493607796.db2.gz ANJGQVQWVHEEFG-INIZCTEOSA-N 2 2 374.485 0.710 10 0 FCAELP C[C@@H]1C[N@H+](CC(=O)N2CCOC[C@H]2C2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000677988173 493629515 /nfs/dbraw/zinc/62/95/15/493629515.db2.gz MLJPTFJUFKTLEI-QRQLOZEOSA-N 2 2 364.534 0.582 10 0 FCAELP C[C@@H]1C[N@@H+](CC(=O)N2CCOC[C@H]2C2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000677988173 493629517 /nfs/dbraw/zinc/62/95/17/493629517.db2.gz MLJPTFJUFKTLEI-QRQLOZEOSA-N 2 2 364.534 0.582 10 0 FCAELP C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[C@H](C)[NH+]1CCOCC1 ZINC000664008705 493629944 /nfs/dbraw/zinc/62/99/44/493629944.db2.gz JRGFZRDKAPQMSD-BBWFWOEESA-N 3 2 357.543 0.667 10 0 FCAELP C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[C@H](C)[NH+]1CCOCC1 ZINC000664008705 493629946 /nfs/dbraw/zinc/62/99/46/493629946.db2.gz JRGFZRDKAPQMSD-BBWFWOEESA-N 3 2 357.543 0.667 10 0 FCAELP C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[C@H](C)N1CCOCC1 ZINC000664008705 493629948 /nfs/dbraw/zinc/62/99/48/493629948.db2.gz JRGFZRDKAPQMSD-BBWFWOEESA-N 2 2 357.543 0.667 10 0 FCAELP C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[C@H](C)N1CCOCC1 ZINC000664008705 493629951 /nfs/dbraw/zinc/62/99/51/493629951.db2.gz JRGFZRDKAPQMSD-BBWFWOEESA-N 2 2 357.543 0.667 10 0 FCAELP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000664026395 493631057 /nfs/dbraw/zinc/63/10/57/493631057.db2.gz MKNQQDRMROPLHO-IAGOWNOFSA-N 2 2 355.527 0.375 10 0 FCAELP O=C(NC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671102023 493633764 /nfs/dbraw/zinc/63/37/64/493633764.db2.gz UPQDOKILSFGVLV-IAGOWNOFSA-N 2 2 371.485 0.910 10 0 FCAELP O=C(NC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671102023 493633765 /nfs/dbraw/zinc/63/37/65/493633765.db2.gz UPQDOKILSFGVLV-IAGOWNOFSA-N 2 2 371.485 0.910 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc[nH+]1 ZINC000671108468 493636460 /nfs/dbraw/zinc/63/64/60/493636460.db2.gz YZWTUMJLOFNVLN-CVEARBPZSA-N 2 2 372.473 0.177 10 0 FCAELP 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Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)NCC(C)(C)N1CCOCC1 ZINC000178286915 209047924 /nfs/dbraw/zinc/04/79/24/209047924.db2.gz IPAGPERPAOAYRD-KRWDZBQOSA-N 2 2 363.506 0.883 10 0 FCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000178313346 209048773 /nfs/dbraw/zinc/04/87/73/209048773.db2.gz CGYDIMKVEQDAQO-CWRNSKLLSA-N 2 2 368.503 0.690 10 0 FCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000178313346 209048779 /nfs/dbraw/zinc/04/87/79/209048779.db2.gz CGYDIMKVEQDAQO-CWRNSKLLSA-N 2 2 368.503 0.690 10 0 FCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000178754776 209059887 /nfs/dbraw/zinc/05/98/87/209059887.db2.gz UNOBVSSUDKTLKB-ZDUSSCGKSA-N 2 2 372.429 0.306 10 0 FCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000178754776 209059892 /nfs/dbraw/zinc/05/98/92/209059892.db2.gz UNOBVSSUDKTLKB-ZDUSSCGKSA-N 2 2 372.429 0.306 10 0 FCAELP C[C@@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C(=O)N(C)C ZINC000179116458 209071898 /nfs/dbraw/zinc/07/18/98/209071898.db2.gz ILSVIGWHBMTIMO-JZWPEALZSA-N 2 2 351.495 0.416 10 0 FCAELP C[C@@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C(=O)N(C)C ZINC000179116458 209071899 /nfs/dbraw/zinc/07/18/99/209071899.db2.gz ILSVIGWHBMTIMO-JZWPEALZSA-N 2 2 351.495 0.416 10 0 FCAELP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nnnn2CC(F)(F)F)CC1 ZINC000190866898 533665681 /nfs/dbraw/zinc/66/56/81/533665681.db2.gz FXEUVIIGWCZREM-LLVKDONJSA-N 2 2 350.389 0.760 10 0 FCAELP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2nnnn2CC(F)(F)F)CC1 ZINC000190866898 533665687 /nfs/dbraw/zinc/66/56/87/533665687.db2.gz FXEUVIIGWCZREM-LLVKDONJSA-N 2 2 350.389 0.760 10 0 FCAELP CC[C@@H](CO)[NH+]1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1 ZINC000179394945 209077671 /nfs/dbraw/zinc/07/76/71/209077671.db2.gz RPWQJDYBTQSHOU-KRWDZBQOSA-N 2 2 363.506 0.547 10 0 FCAELP C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000091767049 229158932 /nfs/dbraw/zinc/15/89/32/229158932.db2.gz SAHDQMMLIDAZMM-CVEARBPZSA-N 2 2 351.495 0.419 10 0 FCAELP Cc1cc(NCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000627417256 484358268 /nfs/dbraw/zinc/35/82/68/484358268.db2.gz UWQBJRYKYLCIKY-GXTWGEPZSA-N 2 2 362.478 0.551 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1(N2CCOCC2)CCC1 ZINC000363696521 488875738 /nfs/dbraw/zinc/87/57/38/488875738.db2.gz FYWLRCIMTQHLCF-UHFFFAOYSA-N 3 2 352.523 0.726 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1(N2CCOCC2)CCC1 ZINC000363696521 488875740 /nfs/dbraw/zinc/87/57/40/488875740.db2.gz FYWLRCIMTQHLCF-UHFFFAOYSA-N 2 2 352.523 0.726 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000363696521 488875743 /nfs/dbraw/zinc/87/57/43/488875743.db2.gz FYWLRCIMTQHLCF-UHFFFAOYSA-N 3 2 352.523 0.726 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000363696521 488875746 /nfs/dbraw/zinc/87/57/46/488875746.db2.gz FYWLRCIMTQHLCF-UHFFFAOYSA-N 3 2 352.523 0.726 10 0 FCAELP COCC[NH+]1CCC(CNc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC1 ZINC000302224408 488888295 /nfs/dbraw/zinc/88/82/95/488888295.db2.gz QDQANESOFHLKFO-UHFFFAOYSA-N 2 2 362.478 0.525 10 0 FCAELP COCC[NH+]1CCC(CNc2cc(N3CCN(C)C(=O)C3)nc[nH+]2)CC1 ZINC000302224408 488888299 /nfs/dbraw/zinc/88/82/99/488888299.db2.gz QDQANESOFHLKFO-UHFFFAOYSA-N 2 2 362.478 0.525 10 0 FCAELP Cc1nc(N2CCN(C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)cc[nH+]1 ZINC000363891638 488897059 /nfs/dbraw/zinc/89/70/59/488897059.db2.gz ZZOGCVDTKWSKJT-CVEARBPZSA-N 2 2 360.462 0.480 10 0 FCAELP Cc1nc(N2CCN(C(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)cc[nH+]1 ZINC000363891638 488897063 /nfs/dbraw/zinc/89/70/63/488897063.db2.gz ZZOGCVDTKWSKJT-CVEARBPZSA-N 2 2 360.462 0.480 10 0 FCAELP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000328268783 488922033 /nfs/dbraw/zinc/92/20/33/488922033.db2.gz FGIMGPPIDNMZSY-GGXPGOJBSA-N 2 2 351.491 0.842 10 0 FCAELP Cc1cc(N)nc(SCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)[nH+]1 ZINC000029914667 487734748 /nfs/dbraw/zinc/73/47/48/487734748.db2.gz LEJKFQXSWQGBRI-CYBMUJFWSA-N 2 2 353.492 0.932 10 0 FCAELP Cc1cc(N)nc(SCC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)[nH+]1 ZINC000029914667 487734754 /nfs/dbraw/zinc/73/47/54/487734754.db2.gz LEJKFQXSWQGBRI-CYBMUJFWSA-N 2 2 353.492 0.932 10 0 FCAELP Cn1ccnc1C[NH+]1CCC(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000048164527 488061265 /nfs/dbraw/zinc/06/12/65/488061265.db2.gz DRRYLTMXHAEMPA-UHFFFAOYSA-N 2 2 363.506 0.859 10 0 FCAELP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CCNC(=O)CC1 ZINC000065955204 488323491 /nfs/dbraw/zinc/32/34/91/488323491.db2.gz PZBCUNLHCAWNMF-INIZCTEOSA-N 2 2 374.485 0.345 10 0 FCAELP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CCNC(=O)CC1 ZINC000065955204 488323494 /nfs/dbraw/zinc/32/34/94/488323494.db2.gz PZBCUNLHCAWNMF-INIZCTEOSA-N 2 2 374.485 0.345 10 0 FCAELP CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000069261180 488371840 /nfs/dbraw/zinc/37/18/40/488371840.db2.gz FKFLOANGFUMZEG-CVEARBPZSA-N 2 2 354.495 0.014 10 0 FCAELP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000073653519 488385752 /nfs/dbraw/zinc/38/57/52/488385752.db2.gz KCEDBAOHTWSSLY-LSDHHAIUSA-N 2 2 353.511 0.711 10 0 FCAELP C[C@H](Cn1cncn1)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000073964961 488387020 /nfs/dbraw/zinc/38/70/20/488387020.db2.gz JMBIBYZXLSJZQK-MRXNPFEDSA-N 2 2 363.510 0.916 10 0 FCAELP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000074098590 488387361 /nfs/dbraw/zinc/38/73/61/488387361.db2.gz KLLKPEQCARVVCX-KZNAEPCWSA-N 2 2 366.506 0.746 10 0 FCAELP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000074098590 488387362 /nfs/dbraw/zinc/38/73/62/488387362.db2.gz KLLKPEQCARVVCX-KZNAEPCWSA-N 2 2 366.506 0.746 10 0 FCAELP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000074098588 488387424 /nfs/dbraw/zinc/38/74/24/488387424.db2.gz KLLKPEQCARVVCX-RCCFBDPRSA-N 2 2 366.506 0.746 10 0 FCAELP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000074098588 488387425 /nfs/dbraw/zinc/38/74/25/488387425.db2.gz KLLKPEQCARVVCX-RCCFBDPRSA-N 2 2 366.506 0.746 10 0 FCAELP CNC(=O)[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2C)CC1)C(C)C ZINC000183656908 488393465 /nfs/dbraw/zinc/39/34/65/488393465.db2.gz HJRQSRBLGIXWNU-IBGZPJMESA-N 2 2 360.502 0.999 10 0 FCAELP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000184735145 488397533 /nfs/dbraw/zinc/39/75/33/488397533.db2.gz SFHSZLWCBCVVMF-DLBZAZTESA-N 2 2 356.511 0.441 10 0 FCAELP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000184735145 488397534 /nfs/dbraw/zinc/39/75/34/488397534.db2.gz SFHSZLWCBCVVMF-DLBZAZTESA-N 2 2 356.511 0.441 10 0 FCAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000184770745 488397613 /nfs/dbraw/zinc/39/76/13/488397613.db2.gz HUSNDFDHQKYYFM-IXDOHACOSA-N 2 2 370.538 0.972 10 0 FCAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000184770745 488397614 /nfs/dbraw/zinc/39/76/14/488397614.db2.gz HUSNDFDHQKYYFM-IXDOHACOSA-N 2 2 370.538 0.972 10 0 FCAELP C[C@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C[C@@H](CO)O1 ZINC000189794317 488415611 /nfs/dbraw/zinc/41/56/11/488415611.db2.gz SNXLTGUEPOCQPQ-IRXDYDNUSA-N 2 2 368.522 0.728 10 0 FCAELP CC(C)[C@@H](CNC(=O)NC[C@H](C)[NH+]1CCOCC1)[NH+]1CCN(C)CC1 ZINC000079126323 488428260 /nfs/dbraw/zinc/42/82/60/488428260.db2.gz FHTAUVUBQVZNOQ-DLBZAZTESA-N 2 2 355.527 0.278 10 0 FCAELP CN(C)C(=O)C[NH+]1CCC([NH2+]CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000268813107 488451175 /nfs/dbraw/zinc/45/11/75/488451175.db2.gz JLBOVSVEYNLWSD-UHFFFAOYSA-N 2 2 358.442 0.425 10 0 FCAELP COc1cc[nH+]c(N2CC[NH+](C[C@@H]3CCCN(S(C)(=O)=O)C3)CC2)c1 ZINC000085793496 488452211 /nfs/dbraw/zinc/45/22/11/488452211.db2.gz NEZDJXFFAOHSHR-HNNXBMFYSA-N 2 2 368.503 0.884 10 0 FCAELP CCOCC[N@@H+]1CCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@H]1C ZINC000245687063 488465262 /nfs/dbraw/zinc/46/52/62/488465262.db2.gz ATNFTIYQRJEKDZ-QGZVFWFLSA-N 2 2 362.522 0.771 10 0 FCAELP CCOCC[N@H+]1CCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@H]1C ZINC000245687063 488465266 /nfs/dbraw/zinc/46/52/66/488465266.db2.gz ATNFTIYQRJEKDZ-QGZVFWFLSA-N 2 2 362.522 0.771 10 0 FCAELP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)CC1 ZINC000245894788 488466697 /nfs/dbraw/zinc/46/66/97/488466697.db2.gz QTOQGKKOOQBQQV-KURKYZTESA-N 2 2 369.554 0.357 10 0 FCAELP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)CC1 ZINC000245894788 488466700 /nfs/dbraw/zinc/46/67/00/488466700.db2.gz QTOQGKKOOQBQQV-KURKYZTESA-N 2 2 369.554 0.357 10 0 FCAELP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)CC1 ZINC000245894788 488466702 /nfs/dbraw/zinc/46/67/02/488466702.db2.gz QTOQGKKOOQBQQV-KURKYZTESA-N 2 2 369.554 0.357 10 0 FCAELP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)CC1 ZINC000245894788 488466705 /nfs/dbraw/zinc/46/67/05/488466705.db2.gz QTOQGKKOOQBQQV-KURKYZTESA-N 2 2 369.554 0.357 10 0 FCAELP C[C@H](O)C[NH+]1CCC(CN(C)c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC1 ZINC000246492597 488473464 /nfs/dbraw/zinc/47/34/64/488473464.db2.gz AMPAJJIAPKWGBK-RDJZCZTQSA-N 2 2 363.506 0.967 10 0 FCAELP C[C@H](O)C[NH+]1CCC(CN(C)c2cc(N3CCC[C@H]3CO)nc[nH+]2)CC1 ZINC000246492597 488473466 /nfs/dbraw/zinc/47/34/66/488473466.db2.gz AMPAJJIAPKWGBK-RDJZCZTQSA-N 2 2 363.506 0.967 10 0 FCAELP C[C@H](O)C[N@@H+]1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)C[C@H]1C ZINC000246885971 488477298 /nfs/dbraw/zinc/47/72/98/488477298.db2.gz WYALTTMFIVLSBK-CVEARBPZSA-N 2 2 363.506 0.546 10 0 FCAELP C[C@H](O)C[N@H+]1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)C[C@H]1C ZINC000246885971 488477301 /nfs/dbraw/zinc/47/73/01/488477301.db2.gz WYALTTMFIVLSBK-CVEARBPZSA-N 2 2 363.506 0.546 10 0 FCAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000247007549 488479669 /nfs/dbraw/zinc/47/96/69/488479669.db2.gz 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C[C@@H]1CCNC(=O)[C@H]1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000249586080 488512688 /nfs/dbraw/zinc/51/26/88/488512688.db2.gz OIJMOKVZQROJBJ-BJCAYOAGSA-N 2 2 363.506 0.463 10 0 FCAELP C[C@@H]1CCNC(=O)[C@H]1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000249586080 488512690 /nfs/dbraw/zinc/51/26/90/488512690.db2.gz OIJMOKVZQROJBJ-BJCAYOAGSA-N 2 2 363.506 0.463 10 0 FCAELP Cc1noc(C)c1S(=O)(=O)N1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261697477 488531345 /nfs/dbraw/zinc/53/13/45/488531345.db2.gz CBVYMSNBPDMDJQ-MRXNPFEDSA-N 2 2 356.492 0.987 10 0 FCAELP Cc1noc(C)c1S(=O)(=O)N1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261697477 488531347 /nfs/dbraw/zinc/53/13/47/488531347.db2.gz CBVYMSNBPDMDJQ-MRXNPFEDSA-N 2 2 356.492 0.987 10 0 FCAELP COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC000111866613 488532725 /nfs/dbraw/zinc/53/27/25/488532725.db2.gz ZRKULYFROACDEW-SFHVURJKSA-N 3 2 369.554 0.765 10 0 FCAELP COCC[N@H+]1CCC[C@H]1CNC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC000111866613 488532726 /nfs/dbraw/zinc/53/27/26/488532726.db2.gz ZRKULYFROACDEW-SFHVURJKSA-N 3 2 369.554 0.765 10 0 FCAELP COCC[NH+]1CCC[C@H]1CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000111866613 488532729 /nfs/dbraw/zinc/53/27/29/488532729.db2.gz ZRKULYFROACDEW-SFHVURJKSA-N 3 2 369.554 0.765 10 0 FCAELP COCC[NH+]1CCC[C@H]1CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000111866613 488532731 /nfs/dbraw/zinc/53/27/31/488532731.db2.gz ZRKULYFROACDEW-SFHVURJKSA-N 3 2 369.554 0.765 10 0 FCAELP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000112295777 488534366 /nfs/dbraw/zinc/53/43/66/488534366.db2.gz OTWKSFVMARVRMT-INIZCTEOSA-N 2 2 360.506 0.199 10 0 FCAELP CC[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC000117469984 488551361 /nfs/dbraw/zinc/55/13/61/488551361.db2.gz HJCIRDLHACZVFE-MRXNPFEDSA-N 2 2 356.511 0.849 10 0 FCAELP CC[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC000117469984 488551363 /nfs/dbraw/zinc/55/13/63/488551363.db2.gz HJCIRDLHACZVFE-MRXNPFEDSA-N 2 2 356.511 0.849 10 0 FCAELP [NH3+]Cc1ccc(-c2noc([C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)n2)cc1 ZINC000262114040 488551532 /nfs/dbraw/zinc/55/15/32/488551532.db2.gz WSFCOFGEFWCZSC-INIZCTEOSA-N 2 2 371.441 0.843 10 0 FCAELP COCC[N@@H+]1CCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC000117475862 488551736 /nfs/dbraw/zinc/55/17/36/488551736.db2.gz VFGFKNOINOWOQS-INIZCTEOSA-N 2 2 355.527 0.375 10 0 FCAELP COCC[N@H+]1CCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC000117475862 488551738 /nfs/dbraw/zinc/55/17/38/488551738.db2.gz VFGFKNOINOWOQS-INIZCTEOSA-N 2 2 355.527 0.375 10 0 FCAELP COCC[N@@H+]1CCN(C(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@@H]1C ZINC000117475862 488551740 /nfs/dbraw/zinc/55/17/40/488551740.db2.gz VFGFKNOINOWOQS-INIZCTEOSA-N 2 2 355.527 0.375 10 0 FCAELP COCC[N@H+]1CCN(C(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@@H]1C ZINC000117475862 488551741 /nfs/dbraw/zinc/55/17/41/488551741.db2.gz VFGFKNOINOWOQS-INIZCTEOSA-N 2 2 355.527 0.375 10 0 FCAELP CN1C(=O)NC2(CC[NH+](C[C@H](O)C[N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000119488927 488557027 /nfs/dbraw/zinc/55/70/27/488557027.db2.gz CASGKMAOUYPJIP-MRXNPFEDSA-N 2 2 360.458 0.496 10 0 FCAELP CN1C(=O)NC2(CC[NH+](C[C@H](O)C[N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000119488927 488557028 /nfs/dbraw/zinc/55/70/28/488557028.db2.gz CASGKMAOUYPJIP-MRXNPFEDSA-N 2 2 360.458 0.496 10 0 FCAELP C[C@H](C(=O)NC[C@H]1C[NH2+]C[C@@H]1O)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000262243633 488559235 /nfs/dbraw/zinc/55/92/35/488559235.db2.gz LBTWXXKCWSICSA-CPUCHLNUSA-N 2 2 350.438 0.033 10 0 FCAELP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](c1cccs1)N1CCOCC1 ZINC000121017362 488564347 /nfs/dbraw/zinc/56/43/47/488564347.db2.gz VMJZEVXDSNEIMY-MRXNPFEDSA-N 2 2 366.531 0.827 10 0 FCAELP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](c1cccs1)N1CCOCC1 ZINC000121017362 488564350 /nfs/dbraw/zinc/56/43/50/488564350.db2.gz VMJZEVXDSNEIMY-MRXNPFEDSA-N 2 2 366.531 0.827 10 0 FCAELP CC(C)OC[C@H](O)C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000562989405 491206262 /nfs/dbraw/zinc/20/62/62/491206262.db2.gz JJGWXOTYROWXHQ-MRXNPFEDSA-N 2 2 350.463 0.496 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(C(N)=O)nc3)CC2)CC1 ZINC000122211074 488576823 /nfs/dbraw/zinc/57/68/23/488576823.db2.gz MORSZNBPIYFYQN-UHFFFAOYSA-N 2 2 360.462 0.861 10 0 FCAELP COCCOCCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000124216283 488590758 /nfs/dbraw/zinc/59/07/58/488590758.db2.gz LXPFGMGVVFAVJG-JWTNVVGKSA-N 2 2 368.522 0.992 10 0 FCAELP COCCOCCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000124216283 488590759 /nfs/dbraw/zinc/59/07/59/488590759.db2.gz LXPFGMGVVFAVJG-JWTNVVGKSA-N 2 2 368.522 0.992 10 0 FCAELP CC[C@@H](C)[N@H+](C)CCNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000125654552 488603114 /nfs/dbraw/zinc/60/31/14/488603114.db2.gz RKIKZZQXUQLTHX-MRXNPFEDSA-N 2 2 367.538 0.960 10 0 FCAELP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000125654552 488603116 /nfs/dbraw/zinc/60/31/16/488603116.db2.gz RKIKZZQXUQLTHX-MRXNPFEDSA-N 2 2 367.538 0.960 10 0 FCAELP Cc1nn(C)c(=O)c(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1C ZINC000126842369 488612404 /nfs/dbraw/zinc/61/24/04/488612404.db2.gz IENBUZLWZSGKOF-SJPCQFCGSA-N 2 2 373.501 0.780 10 0 FCAELP Cc1nn(C)c(=O)c(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1C ZINC000126842369 488612406 /nfs/dbraw/zinc/61/24/06/488612406.db2.gz IENBUZLWZSGKOF-SJPCQFCGSA-N 2 2 373.501 0.780 10 0 FCAELP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000131343314 488645299 /nfs/dbraw/zinc/64/52/99/488645299.db2.gz HGGODTUMZKDPCO-MOPGFXCFSA-N 2 2 361.486 0.978 10 0 FCAELP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000131343314 488645301 /nfs/dbraw/zinc/64/53/01/488645301.db2.gz HGGODTUMZKDPCO-MOPGFXCFSA-N 2 2 361.486 0.978 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)CC(C)(CO)CO)CC1 ZINC000135867300 488675045 /nfs/dbraw/zinc/67/50/45/488675045.db2.gz AQHRCQQUELCZGR-QGZVFWFLSA-N 2 2 363.502 0.815 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)CC(C)(CO)CO)CC1 ZINC000135867300 488675047 /nfs/dbraw/zinc/67/50/47/488675047.db2.gz AQHRCQQUELCZGR-QGZVFWFLSA-N 2 2 363.502 0.815 10 0 FCAELP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000264599504 488689214 /nfs/dbraw/zinc/68/92/14/488689214.db2.gz JCEYSYQNPUYOOR-UHFFFAOYSA-N 2 2 362.478 0.851 10 0 FCAELP CC(C)(O)C[NH+]1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)CC1 ZINC000151250238 488703628 /nfs/dbraw/zinc/70/36/28/488703628.db2.gz YOYLSIJEKLGNGT-UHFFFAOYSA-N 2 2 358.446 0.865 10 0 FCAELP CC[C@H]1CN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC[N@@H+]1CCOC ZINC000274406385 488705475 /nfs/dbraw/zinc/70/54/75/488705475.db2.gz YYSZZZPWLSGZAU-HNNXBMFYSA-N 2 2 362.478 0.302 10 0 FCAELP CC[C@H]1CN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC[N@H+]1CCOC ZINC000274406385 488705477 /nfs/dbraw/zinc/70/54/77/488705477.db2.gz YYSZZZPWLSGZAU-HNNXBMFYSA-N 2 2 362.478 0.302 10 0 FCAELP Cn1cc(NC(=O)C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cn1 ZINC000157821702 488774362 /nfs/dbraw/zinc/77/43/62/488774362.db2.gz DKXGNVMWOQEBHJ-UHFFFAOYSA-N 2 2 362.478 0.425 10 0 FCAELP C[NH+](C)C1CC[NH+](CCNC(=O)Cn2cnc3ccccc3c2=O)CC1 ZINC000267300145 488775268 /nfs/dbraw/zinc/77/52/68/488775268.db2.gz XLGLYMSCCZEICI-UHFFFAOYSA-N 2 2 357.458 0.539 10 0 FCAELP C[C@H]1C[N@@H+](C2CC[NH+](CCCN3C(=O)NC(C)(C)C3=O)CC2)CCO1 ZINC000170928322 488818229 /nfs/dbraw/zinc/81/82/29/488818229.db2.gz MWCYISYEUOYADN-AWEZNQCLSA-N 2 2 352.479 0.892 10 0 FCAELP C[C@H]1C[N@H+](C2CC[NH+](CCCN3C(=O)NC(C)(C)C3=O)CC2)CCO1 ZINC000170928322 488818230 /nfs/dbraw/zinc/81/82/30/488818230.db2.gz MWCYISYEUOYADN-AWEZNQCLSA-N 2 2 352.479 0.892 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(N(C)c3cccnn3)CC2)CC1 ZINC000170941421 488818517 /nfs/dbraw/zinc/81/85/17/488818517.db2.gz ABQBNRSZHHBGDV-MRXNPFEDSA-N 2 2 360.506 0.930 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000171933307 488828638 /nfs/dbraw/zinc/82/86/38/488828638.db2.gz IORAXRKPIURUBO-MOPGFXCFSA-N 3 2 365.566 0.641 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000171933307 488828639 /nfs/dbraw/zinc/82/86/39/488828639.db2.gz IORAXRKPIURUBO-MOPGFXCFSA-N 3 2 365.566 0.641 10 0 FCAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[NH+](C3CC3)CC2)nc[nH+]1 ZINC000173420101 488842609 /nfs/dbraw/zinc/84/26/09/488842609.db2.gz VKFNMPTWJQZLGC-OAHLLOKOSA-N 2 2 359.478 0.977 10 0 FCAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[NH+](C3CC3)CC2)[nH+]cn1 ZINC000173420101 488842610 /nfs/dbraw/zinc/84/26/10/488842610.db2.gz VKFNMPTWJQZLGC-OAHLLOKOSA-N 2 2 359.478 0.977 10 0 FCAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCN(C(=O)C3CC3)CC2)[C@H](C)C1 ZINC000174778411 488851248 /nfs/dbraw/zinc/85/12/48/488851248.db2.gz XOZYPSABKAPKFU-WBVHZDCISA-N 2 2 350.507 0.729 10 0 FCAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCN(C(=O)C3CC3)CC2)[C@H](C)C1 ZINC000174778411 488851249 /nfs/dbraw/zinc/85/12/49/488851249.db2.gz XOZYPSABKAPKFU-WBVHZDCISA-N 2 2 350.507 0.729 10 0 FCAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCN(C(=O)C3CC3)CC2)[C@H](C)C1 ZINC000174778411 488851250 /nfs/dbraw/zinc/85/12/50/488851250.db2.gz XOZYPSABKAPKFU-WBVHZDCISA-N 2 2 350.507 0.729 10 0 FCAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCN(C(=O)C3CC3)CC2)[C@H](C)C1 ZINC000174778411 488851251 /nfs/dbraw/zinc/85/12/51/488851251.db2.gz XOZYPSABKAPKFU-WBVHZDCISA-N 2 2 350.507 0.729 10 0 FCAELP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174881282 488851827 /nfs/dbraw/zinc/85/18/27/488851827.db2.gz DXLJRGDHLQWNQN-IRXDYDNUSA-N 2 2 367.538 0.959 10 0 FCAELP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174881282 488851828 /nfs/dbraw/zinc/85/18/28/488851828.db2.gz DXLJRGDHLQWNQN-IRXDYDNUSA-N 2 2 367.538 0.959 10 0 FCAELP C[C@H]1CN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C[C@H]1[NH+]1CCOCC1 ZINC000175741520 488855163 /nfs/dbraw/zinc/85/51/63/488855163.db2.gz CSAQBHZNKZUGGA-JKSUJKDBSA-N 2 2 354.495 0.459 10 0 FCAELP C[C@H]1CN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C[C@H]1[NH+]1CCOCC1 ZINC000175741520 488855164 /nfs/dbraw/zinc/85/51/64/488855164.db2.gz CSAQBHZNKZUGGA-JKSUJKDBSA-N 2 2 354.495 0.459 10 0 FCAELP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000181695224 488863618 /nfs/dbraw/zinc/86/36/18/488863618.db2.gz QMZMVMOFCOPVSX-INIZCTEOSA-N 2 2 370.538 0.831 10 0 FCAELP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000181695224 488863619 /nfs/dbraw/zinc/86/36/19/488863619.db2.gz QMZMVMOFCOPVSX-INIZCTEOSA-N 2 2 370.538 0.831 10 0 FCAELP C[C@H]([C@H](C)NC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)[NH+]1CCOCC1 ZINC000181716704 488863655 /nfs/dbraw/zinc/86/36/55/488863655.db2.gz RGZAHNUYSIOTQW-YESZJQIVSA-N 2 2 370.538 0.830 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N[C@H]3C[N@H+](C4CC4)C[C@@H]3C)CC2)cc[nH+]1 ZINC000289223581 489050770 /nfs/dbraw/zinc/05/07/70/489050770.db2.gz ZJZZNOUNRWIIAU-BBRMVZONSA-N 2 2 372.473 0.033 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N[C@H]3C[N@@H+](C4CC4)C[C@@H]3C)CC2)cc[nH+]1 ZINC000289223581 489050773 /nfs/dbraw/zinc/05/07/73/489050773.db2.gz ZJZZNOUNRWIIAU-BBRMVZONSA-N 2 2 372.473 0.033 10 0 FCAELP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)[C@H](C)C1 ZINC000289511353 489073205 /nfs/dbraw/zinc/07/32/05/489073205.db2.gz ABPQHNYSLSABAP-IKGGRYGDSA-N 2 2 373.501 0.965 10 0 FCAELP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)[C@H](C)C1 ZINC000289511353 489073206 /nfs/dbraw/zinc/07/32/06/489073206.db2.gz ABPQHNYSLSABAP-IKGGRYGDSA-N 2 2 373.501 0.965 10 0 FCAELP C[C@@H](O)[C@@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCO1 ZINC000563323182 491236851 /nfs/dbraw/zinc/23/68/51/491236851.db2.gz MMDBPAZVEISOFK-SJORKVTESA-N 2 2 368.522 0.728 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@H]3OCC[NH+](C)[C@@H]3C2)C1 ZINC000332799425 489232946 /nfs/dbraw/zinc/23/29/46/489232946.db2.gz ZTEPNUWAHMWOQT-BRWVUGGUSA-N 2 2 354.495 0.458 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@H]3OCC[NH+](C)[C@@H]3C2)C1 ZINC000332799425 489232948 /nfs/dbraw/zinc/23/29/48/489232948.db2.gz ZTEPNUWAHMWOQT-BRWVUGGUSA-N 2 2 354.495 0.458 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)C1 ZINC000332799425 489232951 /nfs/dbraw/zinc/23/29/51/489232951.db2.gz ZTEPNUWAHMWOQT-BRWVUGGUSA-N 2 2 354.495 0.458 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)C1 ZINC000332799425 489232954 /nfs/dbraw/zinc/23/29/54/489232954.db2.gz ZTEPNUWAHMWOQT-BRWVUGGUSA-N 2 2 354.495 0.458 10 0 FCAELP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)C[C@H]21 ZINC000332802068 489233078 /nfs/dbraw/zinc/23/30/78/489233078.db2.gz YYWOSQJZTORJOV-BRSBDYLESA-N 2 2 366.506 0.479 10 0 FCAELP C[N@H+]1CCO[C@@H]2CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)C[C@H]21 ZINC000332802068 489233079 /nfs/dbraw/zinc/23/30/79/489233079.db2.gz YYWOSQJZTORJOV-BRSBDYLESA-N 2 2 366.506 0.479 10 0 FCAELP CCn1cc[nH+]c1CNC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000298048255 489282247 /nfs/dbraw/zinc/28/22/47/489282247.db2.gz IJFZXCBPQNAJES-UHFFFAOYSA-N 2 2 350.467 0.599 10 0 FCAELP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)Cn1cc[nH+]c1 ZINC000555290292 491244493 /nfs/dbraw/zinc/24/44/93/491244493.db2.gz RNULFAMZOAALCK-UHFFFAOYSA-N 2 2 357.414 0.918 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@]2(C(N)=O)CCOC2)CC1 ZINC000570579949 491251299 /nfs/dbraw/zinc/25/12/99/491251299.db2.gz GWWPFWQEXUFECH-DNVCBOLYSA-N 2 2 360.458 0.126 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSCC[NH+]2CCOCC2)C1 ZINC000362452487 489387882 /nfs/dbraw/zinc/38/78/82/489387882.db2.gz QMBMDPQAKQFZOR-INIZCTEOSA-N 2 2 359.536 0.525 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CSCC[NH+]2CCOCC2)C1 ZINC000362452487 489387884 /nfs/dbraw/zinc/38/78/84/489387884.db2.gz QMBMDPQAKQFZOR-INIZCTEOSA-N 2 2 359.536 0.525 10 0 FCAELP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)CC(F)(F)C[NH3+])c2)CC1 ZINC000563543664 491253897 /nfs/dbraw/zinc/25/38/97/491253897.db2.gz LKZBBDZDAJJIMP-UHFFFAOYSA-N 2 2 354.401 0.926 10 0 FCAELP C[NH+](C)Cc1cc(CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)ccc1F ZINC000286839532 489434959 /nfs/dbraw/zinc/43/49/59/489434959.db2.gz DXRYETVVERKZAK-UHFFFAOYSA-N 2 2 362.449 0.810 10 0 FCAELP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)N1CCN(c2cnccn2)CC1 ZINC000363450387 489468234 /nfs/dbraw/zinc/46/82/34/489468234.db2.gz QZOIDJYOQBKERY-UHFFFAOYSA-N 2 2 355.446 0.728 10 0 FCAELP O=C(C[NH+]1CCC(c2c[nH+]c[nH]2)CC1)N1CCN(c2cnccn2)CC1 ZINC000363450387 489468238 /nfs/dbraw/zinc/46/82/38/489468238.db2.gz QZOIDJYOQBKERY-UHFFFAOYSA-N 2 2 355.446 0.728 10 0 FCAELP O=C1C[C@@H]([NH2+]Cc2ccc(-n3cncn3)cc2)CN1CC[NH+]1CCOCC1 ZINC000363559793 489479467 /nfs/dbraw/zinc/47/94/67/489479467.db2.gz HLKCRBRUCHEFNW-QGZVFWFLSA-N 2 2 370.457 0.290 10 0 FCAELP CN(CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)S(=O)(=O)c1ccc(F)cc1 ZINC000423095017 489492787 /nfs/dbraw/zinc/49/27/87/489492787.db2.gz LEKVJEKKDFFPRO-IRXDYDNUSA-N 2 2 371.478 0.803 10 0 FCAELP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000423249728 489507067 /nfs/dbraw/zinc/50/70/67/489507067.db2.gz PNNIYBNSJIAWQT-IRXDYDNUSA-N 2 2 366.506 0.287 10 0 FCAELP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)Nc2ccc(N)[nH+]c2)CC1 ZINC000415204270 489513772 /nfs/dbraw/zinc/51/37/72/489513772.db2.gz NLHLGHHYHWBCLG-UHFFFAOYSA-N 2 2 356.386 0.355 10 0 FCAELP CC(C)(CNC(=O)C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1)[NH+]1CCOCC1 ZINC000451880019 489527156 /nfs/dbraw/zinc/52/71/56/489527156.db2.gz MOOAKRHUYCSLEK-GXTWGEPZSA-N 2 2 367.412 0.459 10 0 FCAELP CC(C)(CNC(=O)C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1)[NH+]1CCOCC1 ZINC000451880019 489527159 /nfs/dbraw/zinc/52/71/59/489527159.db2.gz MOOAKRHUYCSLEK-GXTWGEPZSA-N 2 2 367.412 0.459 10 0 FCAELP CN(C)c1ncc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000372413532 489582603 /nfs/dbraw/zinc/58/26/03/489582603.db2.gz NLVRTLHEEWYOAR-UHFFFAOYSA-N 2 2 360.506 0.919 10 0 FCAELP C[C@H](C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1)[NH+]1CCN(C)CC1 ZINC000427142973 489596790 /nfs/dbraw/zinc/59/67/90/489596790.db2.gz LFDKKQTUUDTWOW-QZTJIDSGSA-N 2 2 352.523 0.726 10 0 FCAELP C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1=O ZINC000372584448 489604209 /nfs/dbraw/zinc/60/42/09/489604209.db2.gz NYPCIZCJETUAHL-IJEWVQPXSA-N 2 2 351.495 0.321 10 0 FCAELP [NH3+]CCN(CCO)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000417587486 489659591 /nfs/dbraw/zinc/65/95/91/489659591.db2.gz SKGCWGRQFHOXQB-ZDUSSCGKSA-N 2 2 356.417 0.892 10 0 FCAELP [NH3+]CCN(CCO)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000417587486 489659593 /nfs/dbraw/zinc/65/95/93/489659593.db2.gz SKGCWGRQFHOXQB-ZDUSSCGKSA-N 2 2 356.417 0.892 10 0 FCAELP C[C@H]1C[N@H+](CCO)CCN1C(=O)NCC[NH+]1CCc2sccc2C1 ZINC000457928292 489663866 /nfs/dbraw/zinc/66/38/66/489663866.db2.gz FXDSSXGWLJYVKJ-AWEZNQCLSA-N 2 2 352.504 0.814 10 0 FCAELP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCC[NH+]1CCc2sccc2C1 ZINC000457928292 489663868 /nfs/dbraw/zinc/66/38/68/489663868.db2.gz FXDSSXGWLJYVKJ-AWEZNQCLSA-N 2 2 352.504 0.814 10 0 FCAELP C[C@H]1C[NH+](CCO)CCN1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000457928292 489663870 /nfs/dbraw/zinc/66/38/70/489663870.db2.gz FXDSSXGWLJYVKJ-AWEZNQCLSA-N 2 2 352.504 0.814 10 0 FCAELP C[C@H]1C[NH+](CCO)CCN1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000457928292 489663871 /nfs/dbraw/zinc/66/38/71/489663871.db2.gz FXDSSXGWLJYVKJ-AWEZNQCLSA-N 2 2 352.504 0.814 10 0 FCAELP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000418444852 489698975 /nfs/dbraw/zinc/69/89/75/489698975.db2.gz GTXKFKHCDJTUFM-YOEHRIQHSA-N 2 2 359.474 0.681 10 0 FCAELP CC(C)C[C@H](NC(=O)NCCc1cn(C)c[nH+]1)C(=O)NCC[NH+](C)C ZINC000459166501 489721438 /nfs/dbraw/zinc/72/14/38/489721438.db2.gz DRBGDQSPALQWTR-HNNXBMFYSA-N 2 2 352.483 0.354 10 0 FCAELP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000418800795 489730637 /nfs/dbraw/zinc/73/06/37/489730637.db2.gz JBHGRFHIMFVORV-CYBMUJFWSA-N 2 2 368.428 0.771 10 0 FCAELP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000418800795 489730644 /nfs/dbraw/zinc/73/06/44/489730644.db2.gz JBHGRFHIMFVORV-CYBMUJFWSA-N 2 2 368.428 0.771 10 0 FCAELP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)c1ccco1 ZINC000418833295 489745371 /nfs/dbraw/zinc/74/53/71/489745371.db2.gz NAYZLUSESAZZOT-HZPDHXFCSA-N 2 2 371.441 0.567 10 0 FCAELP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418835089 489746817 /nfs/dbraw/zinc/74/68/17/489746817.db2.gz NHWWIIOXWVFTJO-XHSDSOJGSA-N 2 2 360.458 0.886 10 0 FCAELP C[C@H]([NH2+][C@H](CO)c1ccnn1C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459779732 489751871 /nfs/dbraw/zinc/75/18/71/489751871.db2.gz YCTNPGMWGOFSKI-RYQLBKOJSA-N 2 2 371.485 0.822 10 0 FCAELP C[C@H]([NH2+][C@H](CO)c1ccnn1C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459779732 489751874 /nfs/dbraw/zinc/75/18/74/489751874.db2.gz YCTNPGMWGOFSKI-RYQLBKOJSA-N 2 2 371.485 0.822 10 0 FCAELP CC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000418866844 489765960 /nfs/dbraw/zinc/76/59/60/489765960.db2.gz NGXSPZUIBUSMPV-GXTWGEPZSA-N 2 2 358.364 0.430 10 0 FCAELP CC[N@H+]1CC[C@H](NC(=O)C(=O)NCC[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000418866844 489765965 /nfs/dbraw/zinc/76/59/65/489765965.db2.gz NGXSPZUIBUSMPV-GXTWGEPZSA-N 2 2 358.364 0.430 10 0 FCAELP CC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000418868876 489766813 /nfs/dbraw/zinc/76/68/13/489766813.db2.gz QGRBWQVIOBQTMG-ZDBHGNHJSA-N 2 2 372.391 0.819 10 0 FCAELP CC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000418868876 489766818 /nfs/dbraw/zinc/76/68/18/489766818.db2.gz QGRBWQVIOBQTMG-ZDBHGNHJSA-N 2 2 372.391 0.819 10 0 FCAELP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000418868872 489767145 /nfs/dbraw/zinc/76/71/45/489767145.db2.gz QGRBWQVIOBQTMG-JBCWJZNQSA-N 2 2 372.391 0.819 10 0 FCAELP CC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000418868872 489767148 /nfs/dbraw/zinc/76/71/48/489767148.db2.gz QGRBWQVIOBQTMG-JBCWJZNQSA-N 2 2 372.391 0.819 10 0 FCAELP [NH3+][C@@H]1CN(C(=O)C(=O)NCCn2cc[nH+]c2)CC[C@H]1c1ccc(F)cc1 ZINC000418888398 489776625 /nfs/dbraw/zinc/77/66/25/489776625.db2.gz ONNBKKNYDPKJGA-JKSUJKDBSA-N 2 2 359.405 0.482 10 0 FCAELP C[NH2+]CCCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418904149 489783758 /nfs/dbraw/zinc/78/37/58/489783758.db2.gz IVDDKADNEDQANT-GJZGRUSLSA-N 2 2 354.401 0.552 10 0 FCAELP C[NH2+]CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418904149 489783762 /nfs/dbraw/zinc/78/37/62/489783762.db2.gz IVDDKADNEDQANT-GJZGRUSLSA-N 2 2 354.401 0.552 10 0 FCAELP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418905214 489783772 /nfs/dbraw/zinc/78/37/72/489783772.db2.gz JRTYZQAFOKZMSH-XFBWCDHKSA-N 2 2 368.428 0.940 10 0 FCAELP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418905214 489783776 /nfs/dbraw/zinc/78/37/76/489783776.db2.gz JRTYZQAFOKZMSH-XFBWCDHKSA-N 2 2 368.428 0.940 10 0 FCAELP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418905277 489784215 /nfs/dbraw/zinc/78/42/15/489784215.db2.gz JWYCOYGYBJVDQC-OAGGEKHMSA-N 2 2 368.428 0.926 10 0 FCAELP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418905277 489784218 /nfs/dbraw/zinc/78/42/18/489784218.db2.gz JWYCOYGYBJVDQC-OAGGEKHMSA-N 2 2 368.428 0.926 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418913248 489787808 /nfs/dbraw/zinc/78/78/08/489787808.db2.gz SFPGQJRLARRJKU-CQDKDKBSSA-N 2 2 352.385 0.304 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418913248 489787813 /nfs/dbraw/zinc/78/78/13/489787813.db2.gz SFPGQJRLARRJKU-CQDKDKBSSA-N 2 2 352.385 0.304 10 0 FCAELP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000418916780 489789887 /nfs/dbraw/zinc/78/98/87/489789887.db2.gz SLBCWLKSOVQNHF-QAPCUYQASA-N 2 2 374.485 0.249 10 0 FCAELP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000418916143 489790300 /nfs/dbraw/zinc/79/03/00/489790300.db2.gz WHDLTTWVSJRVPL-HERUPUMHSA-N 2 2 356.829 0.804 10 0 FCAELP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000418916143 489790304 /nfs/dbraw/zinc/79/03/04/489790304.db2.gz WHDLTTWVSJRVPL-HERUPUMHSA-N 2 2 356.829 0.804 10 0 FCAELP C[C@@H]1C[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000490987841 489791603 /nfs/dbraw/zinc/79/16/03/489791603.db2.gz NITDQDVEIJCFCL-SQNIBIBYSA-N 2 2 372.579 0.616 10 0 FCAELP C[C@@H]1C[N@@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000490987841 489791604 /nfs/dbraw/zinc/79/16/04/489791604.db2.gz NITDQDVEIJCFCL-SQNIBIBYSA-N 2 2 372.579 0.616 10 0 FCAELP COc1ccc([C@@H](NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)c2[nH+]ccn2C)cc1 ZINC000419081045 489849662 /nfs/dbraw/zinc/84/96/62/489849662.db2.gz ZDXHLLZIXMFYDP-CZUORRHYSA-N 2 2 371.441 0.455 10 0 FCAELP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000420074480 489903400 /nfs/dbraw/zinc/90/34/00/489903400.db2.gz ZOXLHUHQJDTPRS-BBWFWOEESA-N 2 2 366.506 0.333 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)[C@]2(CO)CCOC2)CC1 ZINC000461368633 489906487 /nfs/dbraw/zinc/90/64/87/489906487.db2.gz AWCOPVMGPDBWTJ-XLIONFOSSA-N 2 2 361.486 0.975 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)[C@]2(CO)CCOC2)CC1 ZINC000461368633 489906491 /nfs/dbraw/zinc/90/64/91/489906491.db2.gz AWCOPVMGPDBWTJ-XLIONFOSSA-N 2 2 361.486 0.975 10 0 FCAELP [NH3+]C1(CNC(=O)C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCC1 ZINC000420092128 489909183 /nfs/dbraw/zinc/90/91/83/489909183.db2.gz OETORJAUWOSTGP-CQSZACIVSA-N 2 2 359.474 0.923 10 0 FCAELP [NH3+]C1(CNC(=O)C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCC1 ZINC000420092124 489909315 /nfs/dbraw/zinc/90/93/15/489909315.db2.gz OETORJAUWOSTGP-AWEZNQCLSA-N 2 2 359.474 0.923 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@H](CO)c2cnn(C)c2)CC1 ZINC000494804443 489915027 /nfs/dbraw/zinc/91/50/27/489915027.db2.gz COIBUJXRCBFELV-VQIMIIECSA-N 2 2 371.485 0.949 10 0 FCAELP COC(=O)CC[C@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000377566493 489921606 /nfs/dbraw/zinc/92/16/06/489921606.db2.gz UTMXXVADCZVUKK-HNNXBMFYSA-N 3 2 354.495 0.333 10 0 FCAELP CC1(CNC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000420126864 489921873 /nfs/dbraw/zinc/92/18/73/489921873.db2.gz SCFOONPRXBEWDE-INIZCTEOSA-N 2 2 366.506 0.206 10 0 FCAELP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000420128518 489923097 /nfs/dbraw/zinc/92/30/97/489923097.db2.gz PIOFDHLMPTVUMF-LSDHHAIUSA-N 2 2 362.474 0.502 10 0 FCAELP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000477071668 489938847 /nfs/dbraw/zinc/93/88/47/489938847.db2.gz UMEVQLXCJZVSDO-AWEZNQCLSA-N 2 2 362.478 0.280 10 0 FCAELP CN(CC[N@@H+]1CCOC(C)(C)C1)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000434703218 489950263 /nfs/dbraw/zinc/95/02/63/489950263.db2.gz QVYONTBGEJVYGE-UHFFFAOYSA-N 2 2 352.523 0.772 10 0 FCAELP CN(CC[N@H+]1CCOC(C)(C)C1)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000434703218 489950266 /nfs/dbraw/zinc/95/02/66/489950266.db2.gz QVYONTBGEJVYGE-UHFFFAOYSA-N 2 2 352.523 0.772 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000556083537 491293459 /nfs/dbraw/zinc/29/34/59/491293459.db2.gz OFTURSMNVVEIRK-CQSZACIVSA-N 2 2 360.458 0.437 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000556083537 491293460 /nfs/dbraw/zinc/29/34/60/491293460.db2.gz OFTURSMNVVEIRK-CQSZACIVSA-N 2 2 360.458 0.437 10 0 FCAELP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420372966 489968330 /nfs/dbraw/zinc/96/83/30/489968330.db2.gz MQFXLASUWAFIHN-CXAGYDPISA-N 2 2 366.487 0.737 10 0 FCAELP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420372966 489968334 /nfs/dbraw/zinc/96/83/34/489968334.db2.gz MQFXLASUWAFIHN-CXAGYDPISA-N 2 2 366.487 0.737 10 0 FCAELP O=C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)NCCOc1ccc2c(c1)OCO2 ZINC000420366200 489968484 /nfs/dbraw/zinc/96/84/84/489968484.db2.gz JJLXBDYZBVTUMF-LJQANCHMSA-N 2 2 361.442 0.986 10 0 FCAELP O=C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)NCCOc1ccc2c(c1)OCO2 ZINC000420366200 489968488 /nfs/dbraw/zinc/96/84/88/489968488.db2.gz JJLXBDYZBVTUMF-LJQANCHMSA-N 2 2 361.442 0.986 10 0 FCAELP COCC[NH+]1CCC(NC(=O)C(=O)NCc2[nH+]ccn2CC(C)C)CC1 ZINC000477640719 489980768 /nfs/dbraw/zinc/98/07/68/489980768.db2.gz GTARFTWIWGGWAR-UHFFFAOYSA-N 2 2 365.478 0.382 10 0 FCAELP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000377958941 489987173 /nfs/dbraw/zinc/98/71/73/489987173.db2.gz HRGGRZBAQVUADC-CQSZACIVSA-N 2 2 371.441 0.962 10 0 FCAELP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000377958941 489987176 /nfs/dbraw/zinc/98/71/76/489987176.db2.gz HRGGRZBAQVUADC-CQSZACIVSA-N 2 2 371.441 0.962 10 0 FCAELP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000435507201 490004856 /nfs/dbraw/zinc/00/48/56/490004856.db2.gz KKQUAKBDCVXSSU-IXDOHACOSA-N 2 2 356.511 0.584 10 0 FCAELP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000435507201 490004858 /nfs/dbraw/zinc/00/48/58/490004858.db2.gz KKQUAKBDCVXSSU-IXDOHACOSA-N 2 2 356.511 0.584 10 0 FCAELP C[NH+](C)[C@@H](CNC(=O)C(=O)NCc1ccc2c[nH+]cn2c1)c1ccco1 ZINC000420761510 490019477 /nfs/dbraw/zinc/01/94/77/490019477.db2.gz HHNUFCRMMPUFKX-HNNXBMFYSA-N 2 2 355.398 0.963 10 0 FCAELP NS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420944078 490034177 /nfs/dbraw/zinc/03/41/77/490034177.db2.gz XTZGXNHYLIEOMP-QGZVFWFLSA-N 2 2 353.488 0.772 10 0 FCAELP NS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420944078 490034182 /nfs/dbraw/zinc/03/41/82/490034182.db2.gz XTZGXNHYLIEOMP-QGZVFWFLSA-N 2 2 353.488 0.772 10 0 FCAELP CNC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000420968847 490035525 /nfs/dbraw/zinc/03/55/25/490035525.db2.gz CXVWCYXTIRHROR-SFHVURJKSA-N 2 2 358.486 0.707 10 0 FCAELP CNC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000420968847 490035530 /nfs/dbraw/zinc/03/55/30/490035530.db2.gz CXVWCYXTIRHROR-SFHVURJKSA-N 2 2 358.486 0.707 10 0 FCAELP CNC(=O)[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000420980570 490038017 /nfs/dbraw/zinc/03/80/17/490038017.db2.gz UZNYFPRAMNMTES-OAHLLOKOSA-N 2 2 350.488 0.460 10 0 FCAELP CNC(=O)[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000420980570 490038019 /nfs/dbraw/zinc/03/80/19/490038019.db2.gz UZNYFPRAMNMTES-OAHLLOKOSA-N 2 2 350.488 0.460 10 0 FCAELP CN(CC[NH+]1CCOCC1)[C@H]1CCCC[C@@H]1[N@H+](C)CCN1CCOCC1 ZINC000464488764 490058036 /nfs/dbraw/zinc/05/80/36/490058036.db2.gz UCXOTSKFWXYQDO-PMACEKPBSA-N 2 2 368.566 0.826 10 0 FCAELP CN(CC[NH+]1CCOCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)CCN1CCOCC1 ZINC000464488764 490058038 /nfs/dbraw/zinc/05/80/38/490058038.db2.gz UCXOTSKFWXYQDO-PMACEKPBSA-N 2 2 368.566 0.826 10 0 FCAELP c1cc(NC[C@]2([NH+]3CCOCC3)CCSC2)nc(N2CCOCC2)[nH+]1 ZINC000378527972 490080390 /nfs/dbraw/zinc/08/03/90/490080390.db2.gz XYTKMWMKICNBFQ-QGZVFWFLSA-N 2 2 365.503 0.933 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000422101473 490152789 /nfs/dbraw/zinc/15/27/89/490152789.db2.gz DYRNLYCLCBWXDN-INIZCTEOSA-N 2 2 359.474 0.591 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC1 ZINC000422101473 490152798 /nfs/dbraw/zinc/15/27/98/490152798.db2.gz DYRNLYCLCBWXDN-INIZCTEOSA-N 2 2 359.474 0.591 10 0 FCAELP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000465947975 490155605 /nfs/dbraw/zinc/15/56/05/490155605.db2.gz IMLBCBCJZYUYGE-OAHLLOKOSA-N 2 2 362.478 0.886 10 0 FCAELP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000465947975 490155613 /nfs/dbraw/zinc/15/56/13/490155613.db2.gz IMLBCBCJZYUYGE-OAHLLOKOSA-N 2 2 362.478 0.886 10 0 FCAELP NS(=O)(=O)c1cccc(NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000533025915 490159928 /nfs/dbraw/zinc/15/99/28/490159928.db2.gz DMAPFPPIZJQINH-UHFFFAOYSA-N 2 2 363.443 0.875 10 0 FCAELP COc1nc(N2CC[NH+](C3CC3)CC2)nc(N2CC[NH+](C3CC3)CC2)n1 ZINC000480392032 490185018 /nfs/dbraw/zinc/18/50/18/490185018.db2.gz BKQINBAUMJCJAL-UHFFFAOYSA-N 2 2 359.478 0.449 10 0 FCAELP COC1CC[NH+](C2(CNC[C@H](O)C[NH+]3CCOCC3)CCCC2)CC1 ZINC000520798256 490190704 /nfs/dbraw/zinc/19/07/04/490190704.db2.gz RPEIUXAPGQWVJC-KRWDZBQOSA-N 2 2 355.523 0.693 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cnc2n1CCC2 ZINC000547468220 490297779 /nfs/dbraw/zinc/29/77/79/490297779.db2.gz RMVDIPFOAMULAJ-UHFFFAOYSA-N 2 2 355.508 0.476 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cnc2n1CCC2 ZINC000547468220 490297782 /nfs/dbraw/zinc/29/77/82/490297782.db2.gz RMVDIPFOAMULAJ-UHFFFAOYSA-N 2 2 355.508 0.476 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@](C)(O)Cn1ccccc1=O ZINC000468320765 490386141 /nfs/dbraw/zinc/38/61/41/490386141.db2.gz PRXIVQBJYBDOJO-IBGZPJMESA-N 2 2 364.490 0.084 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@](C)(O)Cn1ccccc1=O ZINC000468320765 490386147 /nfs/dbraw/zinc/38/61/47/490386147.db2.gz PRXIVQBJYBDOJO-IBGZPJMESA-N 2 2 364.490 0.084 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](NC(N)=O)C2)CC1 ZINC000534968296 490430226 /nfs/dbraw/zinc/43/02/26/490430226.db2.gz ZMQKIXOLLQNOQV-NVXWUHKLSA-N 2 2 359.474 0.634 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](NC(N)=O)C2)CC1 ZINC000534968296 490430231 /nfs/dbraw/zinc/43/02/31/490430231.db2.gz ZMQKIXOLLQNOQV-NVXWUHKLSA-N 2 2 359.474 0.634 10 0 FCAELP Cc1nc(N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000535228311 490467479 /nfs/dbraw/zinc/46/74/79/490467479.db2.gz AVYBRHADGUCOAI-INIZCTEOSA-N 2 2 371.489 0.947 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCN(c3cc[nH+]cc3OC)CC2)CC1 ZINC000564823994 491329103 /nfs/dbraw/zinc/32/91/03/491329103.db2.gz QLMOALIRQGHSRI-INIZCTEOSA-N 3 2 361.490 0.765 10 0 FCAELP O=C1NC2(CCCC2)C(=O)N1CCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422780547 490476309 /nfs/dbraw/zinc/47/63/09/490476309.db2.gz HRBNGTOYKDITSF-HUUCEWRRSA-N 2 2 350.463 0.598 10 0 FCAELP c1cnc(N2CCN(CCC[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)CC2)nc1 ZINC000422824692 490481688 /nfs/dbraw/zinc/48/16/88/490481688.db2.gz HWFYNZNGHRTXIJ-MSOLQXFVSA-N 2 2 360.506 0.345 10 0 FCAELP O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422831751 490483793 /nfs/dbraw/zinc/48/37/93/490483793.db2.gz UDCYOIXXCMQOIQ-CVEARBPZSA-N 2 2 364.490 0.988 10 0 FCAELP C[C@@H](CO)[C@H](C)[NH2+]CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000450734928 490486365 /nfs/dbraw/zinc/48/63/65/490486365.db2.gz XQOOQKFXNWQBKZ-HOTGVXAUSA-N 2 2 361.486 0.872 10 0 FCAELP COCCS(=O)(=O)c1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000423072763 490535348 /nfs/dbraw/zinc/53/53/48/490535348.db2.gz HXCUTYDOMNLHKC-MSOLQXFVSA-N 2 2 368.499 0.963 10 0 FCAELP C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)([NH+]2CCCCC2)CC1 ZINC000485534181 490540103 /nfs/dbraw/zinc/54/01/03/490540103.db2.gz RXJPPUSAVQGZDZ-GOSISDBHSA-N 3 2 363.550 0.443 10 0 FCAELP C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)([NH+]2CCCCC2)CC1 ZINC000485534181 490540107 /nfs/dbraw/zinc/54/01/07/490540107.db2.gz RXJPPUSAVQGZDZ-GOSISDBHSA-N 3 2 363.550 0.443 10 0 FCAELP Cc1[nH+]c2cc(NC(=O)C(=O)NCCNc3cc[nH+]cc3)ccc2n1C ZINC000536020272 490547125 /nfs/dbraw/zinc/54/71/25/490547125.db2.gz WZBROCPVYDJPLR-UHFFFAOYSA-N 2 2 352.398 0.865 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H](c2nncn2C)C(C)C)C1 ZINC000510929402 490549296 /nfs/dbraw/zinc/54/92/96/490549296.db2.gz FWEBPUPNGBYMSR-RDJZCZTQSA-N 2 2 366.510 0.575 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H](c2nncn2C)C(C)C)C1 ZINC000510929402 490549299 /nfs/dbraw/zinc/54/92/99/490549299.db2.gz FWEBPUPNGBYMSR-RDJZCZTQSA-N 2 2 366.510 0.575 10 0 FCAELP CN(C)c1[nH+]cc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)n1C ZINC000571919615 491337645 /nfs/dbraw/zinc/33/76/45/491337645.db2.gz YKHCSFBWKYDMIL-CYBMUJFWSA-N 2 2 350.444 0.811 10 0 FCAELP CC[C@@H]1C[N@@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CCN1CC(F)F ZINC000536556262 490591778 /nfs/dbraw/zinc/59/17/78/490591778.db2.gz BSTJGUCKDFQMQD-ZIAGYGMSSA-N 2 2 360.449 0.727 10 0 FCAELP CC[C@@H]1C[N@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CCN1CC(F)F ZINC000536556262 490591779 /nfs/dbraw/zinc/59/17/79/490591779.db2.gz BSTJGUCKDFQMQD-ZIAGYGMSSA-N 2 2 360.449 0.727 10 0 FCAELP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H]2CCC[C@H]21 ZINC000556886885 491342714 /nfs/dbraw/zinc/34/27/14/491342714.db2.gz PRWDRKQSZGPECB-VSZNYVQBSA-N 3 2 350.507 0.382 10 0 FCAELP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H]2CCC[C@H]21 ZINC000556886885 491342715 /nfs/dbraw/zinc/34/27/15/491342715.db2.gz PRWDRKQSZGPECB-VSZNYVQBSA-N 3 2 350.507 0.382 10 0 FCAELP COC[C@@H](CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)OC ZINC000512130362 490661258 /nfs/dbraw/zinc/66/12/58/490661258.db2.gz ZUXIFYWGYZTBGX-FCLJQHQZSA-N 2 2 354.495 0.600 10 0 FCAELP COC[C@@H](CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)OC ZINC000512130362 490661262 /nfs/dbraw/zinc/66/12/62/490661262.db2.gz ZUXIFYWGYZTBGX-FCLJQHQZSA-N 2 2 354.495 0.600 10 0 FCAELP CC(C)CN(C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000564987066 491343970 /nfs/dbraw/zinc/34/39/70/491343970.db2.gz NJAIXPQXXGHSDE-IXDOHACOSA-N 2 2 371.547 0.590 10 0 FCAELP CC(C)CN(C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000564987066 491343972 /nfs/dbraw/zinc/34/39/72/491343972.db2.gz NJAIXPQXXGHSDE-IXDOHACOSA-N 2 2 371.547 0.590 10 0 FCAELP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000550574656 490676986 /nfs/dbraw/zinc/67/69/86/490676986.db2.gz GVWKFKIQBAVRSL-GASCZTMLSA-N 2 2 366.506 0.297 10 0 FCAELP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000550574656 490676988 /nfs/dbraw/zinc/67/69/88/490676988.db2.gz GVWKFKIQBAVRSL-GASCZTMLSA-N 2 2 366.506 0.297 10 0 FCAELP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000565038542 491347037 /nfs/dbraw/zinc/34/70/37/491347037.db2.gz GTHIYPBHUYSGJP-JKSUJKDBSA-N 3 2 363.412 0.915 10 0 FCAELP CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)[C@H]2C1 ZINC000502736087 490718188 /nfs/dbraw/zinc/71/81/88/490718188.db2.gz JZDUOWZYBKQAEY-RCCFBDPRSA-N 2 2 351.491 0.951 10 0 FCAELP CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)[C@H]2C1 ZINC000502736087 490718191 /nfs/dbraw/zinc/71/81/91/490718191.db2.gz JZDUOWZYBKQAEY-RCCFBDPRSA-N 2 2 351.491 0.951 10 0 FCAELP CC[NH+]1CC[C@H]2OCCN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)[C@H]2C1 ZINC000502736087 490718193 /nfs/dbraw/zinc/71/81/93/490718193.db2.gz JZDUOWZYBKQAEY-RCCFBDPRSA-N 2 2 351.491 0.951 10 0 FCAELP CC[NH+]1CC[C@H]2OCCN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)[C@H]2C1 ZINC000502736087 490718197 /nfs/dbraw/zinc/71/81/97/490718197.db2.gz JZDUOWZYBKQAEY-RCCFBDPRSA-N 2 2 351.491 0.951 10 0 FCAELP O=C(c1ccc(C[NH+]2CCOCC2)cn1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000538386829 490730675 /nfs/dbraw/zinc/73/06/75/490730675.db2.gz AGSFAMSPTTXANM-SFHVURJKSA-N 2 2 374.485 0.708 10 0 FCAELP CC[NH+]1CCN(CC(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)CC1 ZINC000514062837 490760288 /nfs/dbraw/zinc/76/02/88/490760288.db2.gz LNDZWAOAKFVBIV-UHFFFAOYSA-N 2 2 373.501 0.067 10 0 FCAELP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NCC[NH+]1CCSCC1 ZINC000488868943 490779208 /nfs/dbraw/zinc/77/92/08/490779208.db2.gz SXCOSSBFZYSRAC-UHFFFAOYSA-N 2 2 362.543 0.969 10 0 FCAELP CC(C)CN(C(=O)C[N@H+](C)CCCn1cc[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC000540318745 490816691 /nfs/dbraw/zinc/81/66/91/490816691.db2.gz FZHGQNHLEXBPCY-MRXNPFEDSA-N 2 2 370.519 0.877 10 0 FCAELP CC(C)CN(C(=O)C[N@@H+](C)CCCn1cc[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC000540318745 490816695 /nfs/dbraw/zinc/81/66/95/490816695.db2.gz FZHGQNHLEXBPCY-MRXNPFEDSA-N 2 2 370.519 0.877 10 0 FCAELP CC(=O)NCC(=O)N1CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000529664165 490864353 /nfs/dbraw/zinc/86/43/53/490864353.db2.gz LAFVMBZEDDEWDO-UHFFFAOYSA-N 2 2 370.457 0.746 10 0 FCAELP CC(=O)NCC(=O)N1CCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000529664165 490864354 /nfs/dbraw/zinc/86/43/54/490864354.db2.gz LAFVMBZEDDEWDO-UHFFFAOYSA-N 2 2 370.457 0.746 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1=O ZINC000542114955 490885557 /nfs/dbraw/zinc/88/55/57/490885557.db2.gz CUVGQWQJBCXVAQ-JYJNAYRXSA-N 2 2 374.489 0.837 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1=O ZINC000542114955 490885559 /nfs/dbraw/zinc/88/55/59/490885559.db2.gz CUVGQWQJBCXVAQ-JYJNAYRXSA-N 2 2 374.489 0.837 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1=O ZINC000542130396 490886906 /nfs/dbraw/zinc/88/69/06/490886906.db2.gz SGSYDTYWDQSRMI-JKSUJKDBSA-N 2 2 372.473 0.567 10 0 FCAELP Cn1cc(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)c(-c2ccncc2)n1 ZINC000530244540 490895154 /nfs/dbraw/zinc/89/51/54/490895154.db2.gz ZHFRSFHIIWTQNX-UHFFFAOYSA-N 2 2 369.473 0.625 10 0 FCAELP CCN(CC)C(=O)C[NH+]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000542787294 490909203 /nfs/dbraw/zinc/90/92/03/490909203.db2.gz IFNFJXYILDYBIX-UHFFFAOYSA-N 2 2 361.490 0.921 10 0 FCAELP CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000543056980 490921001 /nfs/dbraw/zinc/92/10/01/490921001.db2.gz BNQKIKIZKUERFQ-GJZGRUSLSA-N 2 2 362.478 0.695 10 0 FCAELP CC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000543056980 490921004 /nfs/dbraw/zinc/92/10/04/490921004.db2.gz BNQKIKIZKUERFQ-GJZGRUSLSA-N 2 2 362.478 0.695 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)C[N@H+](C)[C@@H]2CCSC2)C1=O ZINC000543103936 490922154 /nfs/dbraw/zinc/92/21/54/490922154.db2.gz YBLCNAHZLQFXMH-KGLIPLIRSA-N 2 2 365.503 0.465 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)C[N@@H+](C)[C@@H]2CCSC2)C1=O ZINC000543103936 490922157 /nfs/dbraw/zinc/92/21/57/490922157.db2.gz YBLCNAHZLQFXMH-KGLIPLIRSA-N 2 2 365.503 0.465 10 0 FCAELP CS(=O)(=O)[C@@H]1CCCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000518068176 490929934 /nfs/dbraw/zinc/92/99/34/490929934.db2.gz PEULRGSLDGLTLG-MRXNPFEDSA-N 2 2 357.520 0.629 10 0 FCAELP CS(=O)(=O)[C@@H]1CCCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000518068176 490929936 /nfs/dbraw/zinc/92/99/36/490929936.db2.gz PEULRGSLDGLTLG-MRXNPFEDSA-N 2 2 357.520 0.629 10 0 FCAELP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000518188098 490932473 /nfs/dbraw/zinc/93/24/73/490932473.db2.gz DZGQOOJFVJXYGH-KRWDZBQOSA-N 2 2 371.485 0.863 10 0 FCAELP COc1cccc(N2CC[C@H](CNC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])C2)c1 ZINC000518343931 490937039 /nfs/dbraw/zinc/93/70/39/490937039.db2.gz PMGBEHSKHLYBMT-NVXWUHKLSA-N 2 2 361.490 0.806 10 0 FCAELP COc1cccc(N2CC[C@H](CNC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])C2)c1 ZINC000518343931 490937040 /nfs/dbraw/zinc/93/70/40/490937040.db2.gz PMGBEHSKHLYBMT-NVXWUHKLSA-N 2 2 361.490 0.806 10 0 FCAELP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000543947045 490952903 /nfs/dbraw/zinc/95/29/03/490952903.db2.gz IEJJCDZANLRBRV-KGLIPLIRSA-N 2 2 359.434 0.496 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000572384818 491366646 /nfs/dbraw/zinc/36/66/46/491366646.db2.gz PPLQZFIQQDFAML-INIZCTEOSA-N 2 2 366.506 0.158 10 0 FCAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000531685148 490970617 /nfs/dbraw/zinc/97/06/17/490970617.db2.gz KDGINXFLLCIRQF-QAPCUYQASA-N 2 2 367.515 0.888 10 0 FCAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000531685148 490970620 /nfs/dbraw/zinc/97/06/20/490970620.db2.gz KDGINXFLLCIRQF-QAPCUYQASA-N 2 2 367.515 0.888 10 0 FCAELP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000544700706 490977450 /nfs/dbraw/zinc/97/74/50/490977450.db2.gz DINOWGKQVLABFC-MRXNPFEDSA-N 2 2 374.489 0.446 10 0 FCAELP C[NH+]1CCN(c2ncc(C[NH+]3CC(CO)(c4ccccc4)C3)cn2)CC1 ZINC000562738956 491185200 /nfs/dbraw/zinc/18/52/00/491185200.db2.gz YTYNOLRQJOEPQS-UHFFFAOYSA-N 2 2 353.470 0.974 10 0 FCAELP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)C1=O ZINC000562734001 491185452 /nfs/dbraw/zinc/18/54/52/491185452.db2.gz UIWHBEDLPIPVEQ-MGPUTAFESA-N 2 2 371.437 0.785 10 0 FCAELP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)C1=O ZINC000562734001 491185454 /nfs/dbraw/zinc/18/54/54/491185454.db2.gz UIWHBEDLPIPVEQ-MGPUTAFESA-N 2 2 371.437 0.785 10 0 FCAELP Cc1cccc2[nH+]c(CNC(=O)C(=O)N3CC[C@]4(C3)CCC[NH2+]C4)cn21 ZINC000572587060 491380275 /nfs/dbraw/zinc/38/02/75/491380275.db2.gz PKCWVHDUNHKRGB-LJQANCHMSA-N 2 2 355.442 0.861 10 0 FCAELP CC[NH+](CC)CCS(=O)(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000565566745 491385403 /nfs/dbraw/zinc/38/54/03/491385403.db2.gz PADHLBDICZQHRL-SJORKVTESA-N 2 2 360.568 0.616 10 0 FCAELP CC[NH+](CC)CCS(=O)(=O)N1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000565566745 491385406 /nfs/dbraw/zinc/38/54/06/491385406.db2.gz PADHLBDICZQHRL-SJORKVTESA-N 2 2 360.568 0.616 10 0 FCAELP O=C(NCc1[nH+]ccn1CC(F)(F)F)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000557623237 491387764 /nfs/dbraw/zinc/38/77/64/491387764.db2.gz YXPRJGGPDNTJPS-GFCCVEGCSA-N 2 2 373.379 0.758 10 0 FCAELP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000565599429 491387850 /nfs/dbraw/zinc/38/78/50/491387850.db2.gz HQKUTBLAQIFARH-GASCZTMLSA-N 2 2 365.499 0.988 10 0 FCAELP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000668361196 493340108 /nfs/dbraw/zinc/34/01/08/493340108.db2.gz VCQYEUGVHGDSGC-AWEZNQCLSA-N 2 2 354.495 0.202 10 0 FCAELP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000668361196 493340112 /nfs/dbraw/zinc/34/01/12/493340112.db2.gz VCQYEUGVHGDSGC-AWEZNQCLSA-N 2 2 354.495 0.202 10 0 FCAELP O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CCOC2(C[NH2+]C2)C1 ZINC000573465315 491435055 /nfs/dbraw/zinc/43/50/55/491435055.db2.gz VJAGEEJMKFWPPA-GOSISDBHSA-N 2 2 374.485 0.314 10 0 FCAELP NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)Cn3cc[nH+]c3)cc2)CC1 ZINC000566356504 491439425 /nfs/dbraw/zinc/43/94/25/491439425.db2.gz QMTRXTYHSDDKHP-UHFFFAOYSA-N 2 2 355.442 0.897 10 0 FCAELP C[NH+]1CCN(C(=O)CC[N@@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)CC1 ZINC000558724338 491443856 /nfs/dbraw/zinc/44/38/56/491443856.db2.gz DABRRYPJKRPXCZ-KRWDZBQOSA-N 2 2 366.506 0.254 10 0 FCAELP C[NH+]1CCN(C(=O)CC[N@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)CC1 ZINC000558724338 491443857 /nfs/dbraw/zinc/44/38/57/491443857.db2.gz DABRRYPJKRPXCZ-KRWDZBQOSA-N 2 2 366.506 0.254 10 0 FCAELP C[N@@H+]1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)[C@@H](C[NH3+])C1 ZINC000573942390 491464540 /nfs/dbraw/zinc/46/45/40/491464540.db2.gz OZFVPFXYKQOVSJ-PMPSAXMXSA-N 2 2 351.495 0.452 10 0 FCAELP C[N@H+]1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)[C@@H](C[NH3+])C1 ZINC000573942390 491464542 /nfs/dbraw/zinc/46/45/42/491464542.db2.gz OZFVPFXYKQOVSJ-PMPSAXMXSA-N 2 2 351.495 0.452 10 0 FCAELP C[NH+]1CCC(CNC(=O)N2CCO[C@H](C[NH3+])C2)([NH+]2CCCCC2)CC1 ZINC000574141907 491476740 /nfs/dbraw/zinc/47/67/40/491476740.db2.gz SNJYCADHPYZRKL-MRXNPFEDSA-N 3 2 353.511 0.306 10 0 FCAELP CN(C(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000559669636 491490820 /nfs/dbraw/zinc/49/08/20/491490820.db2.gz MKBKAZHQZGZSJZ-KRWDZBQOSA-N 2 2 371.485 0.993 10 0 FCAELP CN(C(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000559669636 491490823 /nfs/dbraw/zinc/49/08/23/491490823.db2.gz MKBKAZHQZGZSJZ-KRWDZBQOSA-N 2 2 371.485 0.993 10 0 FCAELP C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)[C@@H](C)C[N@@H+]1CCO ZINC000574549052 491504632 /nfs/dbraw/zinc/50/46/32/491504632.db2.gz BDZWPKMTXMQLNC-XDNAFOTISA-N 2 2 368.522 0.726 10 0 FCAELP C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)[C@@H](C)C[N@H+]1CCO ZINC000574549052 491504633 /nfs/dbraw/zinc/50/46/33/491504633.db2.gz BDZWPKMTXMQLNC-XDNAFOTISA-N 2 2 368.522 0.726 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000574989159 491532258 /nfs/dbraw/zinc/53/22/58/491532258.db2.gz HHOIILGQKSEWDR-SFHVURJKSA-N 2 2 374.485 0.252 10 0 FCAELP O=C(Cn1cc[nH+]c1)NCc1ccc(CNC(=O)Cn2cc[nH+]c2)cc1 ZINC000560350122 491533283 /nfs/dbraw/zinc/53/32/83/491533283.db2.gz VXDXIHJHHQVWGV-UHFFFAOYSA-N 2 2 352.398 0.712 10 0 FCAELP CN(C(=O)C1(CF)CCC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000567940107 491542083 /nfs/dbraw/zinc/54/20/83/491542083.db2.gz MDEVOAWEDXDABB-UHFFFAOYSA-N 2 2 368.497 0.823 10 0 FCAELP [NH3+]CC(F)(F)CC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000568152651 491555924 /nfs/dbraw/zinc/55/59/24/491555924.db2.gz FEHAUPGLRCAHRD-UHFFFAOYSA-N 2 2 360.449 0.811 10 0 FCAELP CN(C)c1nc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc(=O)[nH]1 ZINC000683408432 493350480 /nfs/dbraw/zinc/35/04/80/493350480.db2.gz XYUPUESXXTUSRF-AWEZNQCLSA-N 2 2 362.478 0.489 10 0 FCAELP CN(C)c1nc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc(=O)[nH]1 ZINC000683408432 493350481 /nfs/dbraw/zinc/35/04/81/493350481.db2.gz XYUPUESXXTUSRF-AWEZNQCLSA-N 2 2 362.478 0.489 10 0 FCAELP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000575846201 491564878 /nfs/dbraw/zinc/56/48/78/491564878.db2.gz PRADSQFLSDABAB-CZUORRHYSA-N 2 2 362.478 0.509 10 0 FCAELP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000575846201 491564880 /nfs/dbraw/zinc/56/48/80/491564880.db2.gz PRADSQFLSDABAB-CZUORRHYSA-N 2 2 362.478 0.509 10 0 FCAELP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000575846201 491564881 /nfs/dbraw/zinc/56/48/81/491564881.db2.gz PRADSQFLSDABAB-CZUORRHYSA-N 2 2 362.478 0.509 10 0 FCAELP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000575846201 491564885 /nfs/dbraw/zinc/56/48/85/491564885.db2.gz PRADSQFLSDABAB-CZUORRHYSA-N 2 2 362.478 0.509 10 0 FCAELP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000668421897 493351506 /nfs/dbraw/zinc/35/15/06/493351506.db2.gz KBQGLOKYZTUUFZ-OAHLLOKOSA-N 2 2 357.458 0.982 10 0 FCAELP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000668421897 493351510 /nfs/dbraw/zinc/35/15/10/493351510.db2.gz KBQGLOKYZTUUFZ-OAHLLOKOSA-N 2 2 357.458 0.982 10 0 FCAELP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000577235711 491606048 /nfs/dbraw/zinc/60/60/48/491606048.db2.gz KODSFKJVCUBAMB-OAHLLOKOSA-N 2 2 366.425 0.949 10 0 FCAELP COC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000576393820 491611084 /nfs/dbraw/zinc/61/10/84/491611084.db2.gz GYYHAFDKSHZWRN-HNNXBMFYSA-N 2 2 369.849 0.753 10 0 FCAELP CN(CCC[NH+](C)C)C(=O)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000576534598 491623066 /nfs/dbraw/zinc/62/30/66/491623066.db2.gz CTGSOQFUMDITNM-UHFFFAOYSA-N 2 2 357.458 0.958 10 0 FCAELP C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C1 ZINC000569066478 491631193 /nfs/dbraw/zinc/63/11/93/491631193.db2.gz CATGIJHCBVAWQF-INIZCTEOSA-N 2 2 350.444 0.276 10 0 FCAELP C[N@H+]1CC[C@](O)(CNS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C1 ZINC000569066478 491631195 /nfs/dbraw/zinc/63/11/95/491631195.db2.gz CATGIJHCBVAWQF-INIZCTEOSA-N 2 2 350.444 0.276 10 0 FCAELP O=C(CCOC1C[NH2+]C1)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000577724529 491645923 /nfs/dbraw/zinc/64/59/23/491645923.db2.gz BBFRQYJYACUXNY-UHFFFAOYSA-N 2 2 361.442 0.481 10 0 FCAELP O=C(C[N@H+]1C[C@@H](O)C2(CC2)C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000562363336 491667457 /nfs/dbraw/zinc/66/74/57/491667457.db2.gz MUJWLESYDDNNKK-LJQANCHMSA-N 2 2 371.481 0.722 10 0 FCAELP O=C(C[N@@H+]1C[C@@H](O)C2(CC2)C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000562363336 491667459 /nfs/dbraw/zinc/66/74/59/491667459.db2.gz MUJWLESYDDNNKK-LJQANCHMSA-N 2 2 371.481 0.722 10 0 FCAELP CCOC(=O)c1sc([C@H](C)[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)nc1C ZINC000578049961 491668651 /nfs/dbraw/zinc/66/86/51/491668651.db2.gz KHKXHEVERBFUAC-UONOGXRCSA-N 2 2 370.519 0.887 10 0 FCAELP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000578052249 491668807 /nfs/dbraw/zinc/66/88/07/491668807.db2.gz AHWSLGPWXHAMIH-MRXNPFEDSA-N 2 2 356.511 0.402 10 0 FCAELP CC(C)(CNC(=O)C[NH2+][C@@](C)(CO)c1cccc(O)c1)[NH+]1CCOCC1 ZINC000578174581 491671468 /nfs/dbraw/zinc/67/14/68/491671468.db2.gz BEJSWIKMTIYRIY-IBGZPJMESA-N 2 2 365.474 0.416 10 0 FCAELP COCC[NH2+]C1CCN(C(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC1 ZINC000579133310 491691764 /nfs/dbraw/zinc/69/17/64/491691764.db2.gz KIEVLWSIHSJATL-HNNXBMFYSA-N 2 2 363.462 0.690 10 0 FCAELP COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000579474084 491698636 /nfs/dbraw/zinc/69/86/36/491698636.db2.gz CCKIIFVIMLETAB-HXUWFJFHSA-N 2 2 374.485 0.979 10 0 FCAELP COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000579474084 491698637 /nfs/dbraw/zinc/69/86/37/491698637.db2.gz CCKIIFVIMLETAB-HXUWFJFHSA-N 2 2 374.485 0.979 10 0 FCAELP O=S1(=O)C[C@H](C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)Oc2ccccc21 ZINC000580431973 491731215 /nfs/dbraw/zinc/73/12/15/491731215.db2.gz CKTLOGKCZABHFE-LXZKKBNFSA-N 2 2 352.456 0.578 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)CN2CC[NH2+]CC2=O)[C@@H]1c1ccc(F)c(F)c1 ZINC000580548801 491735546 /nfs/dbraw/zinc/73/55/46/491735546.db2.gz KWOIANDNZGEPLQ-PBHICJAKSA-N 2 2 352.385 0.258 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)CN2CC[NH2+]CC2=O)[C@@H]1c1ccc(F)c(F)c1 ZINC000580548801 491735547 /nfs/dbraw/zinc/73/55/47/491735547.db2.gz KWOIANDNZGEPLQ-PBHICJAKSA-N 2 2 352.385 0.258 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H](CO)c2ccc(F)cc2)C1 ZINC000581031651 491756205 /nfs/dbraw/zinc/75/62/05/491756205.db2.gz MCROJRDEVYADFS-ZWKOTPCHSA-N 2 2 367.465 0.922 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H](CO)c2ccc(F)cc2)C1 ZINC000581031651 491756207 /nfs/dbraw/zinc/75/62/07/491756207.db2.gz MCROJRDEVYADFS-ZWKOTPCHSA-N 2 2 367.465 0.922 10 0 FCAELP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000581100957 491759371 /nfs/dbraw/zinc/75/93/71/491759371.db2.gz VJONQAIFWNUIGM-MRXNPFEDSA-N 2 2 361.490 0.885 10 0 FCAELP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc[nH+]c2N(C)C)[C@H](C)C1 ZINC000581898723 491789505 /nfs/dbraw/zinc/78/95/05/491789505.db2.gz IBGKCDWUWPJVSI-GDBMZVCRSA-N 2 2 361.490 0.953 10 0 FCAELP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc[nH+]c2N(C)C)[C@H](C)C1 ZINC000581898723 491789506 /nfs/dbraw/zinc/78/95/06/491789506.db2.gz IBGKCDWUWPJVSI-GDBMZVCRSA-N 2 2 361.490 0.953 10 0 FCAELP C[N@@H+]1CCN(CCNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1(C)C ZINC000583301707 491841889 /nfs/dbraw/zinc/84/18/89/491841889.db2.gz YIGRYSLWPFEXCC-UHFFFAOYSA-N 2 2 358.446 0.415 10 0 FCAELP C[N@H+]1CCN(CCNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1(C)C ZINC000583301707 491841890 /nfs/dbraw/zinc/84/18/90/491841890.db2.gz YIGRYSLWPFEXCC-UHFFFAOYSA-N 2 2 358.446 0.415 10 0 FCAELP Cn1cc([C@@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c2ccc(F)cc2)cn1 ZINC000583356733 491843136 /nfs/dbraw/zinc/84/31/36/491843136.db2.gz WKCOGNZOWLDNKK-OALUTQOASA-N 2 2 361.465 0.847 10 0 FCAELP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000594929177 491872392 /nfs/dbraw/zinc/87/23/92/491872392.db2.gz ZRQFOAGRBJIITR-BZUAXINKSA-N 2 2 360.458 0.908 10 0 FCAELP COC(=O)c1oc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1C ZINC000595345281 491922285 /nfs/dbraw/zinc/92/22/85/491922285.db2.gz XHBGNAJMYSKZTA-UHFFFAOYSA-N 2 2 361.464 0.536 10 0 FCAELP COC(=O)c1oc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1C ZINC000595345281 491922286 /nfs/dbraw/zinc/92/22/86/491922286.db2.gz XHBGNAJMYSKZTA-UHFFFAOYSA-N 2 2 361.464 0.536 10 0 FCAELP COC(=O)CC[C@@H](C(=O)OC)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000595394465 491927786 /nfs/dbraw/zinc/92/77/86/491927786.db2.gz YCUGTPKZMUNCBR-WFVVYAPDSA-N 2 2 367.490 0.724 10 0 FCAELP COC(=O)CC[C@@H](C(=O)OC)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000595394465 491927788 /nfs/dbraw/zinc/92/77/88/491927788.db2.gz YCUGTPKZMUNCBR-WFVVYAPDSA-N 2 2 367.490 0.724 10 0 FCAELP COC(=O)CCN1CCC[C@H]([NH+]2CCC(CO)([NH2+]CC3CC3)CC2)C1=O ZINC000595523027 491939786 /nfs/dbraw/zinc/93/97/86/491939786.db2.gz FYFUQOWOZVYVFS-INIZCTEOSA-N 2 2 367.490 0.367 10 0 FCAELP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O)C1CC1 ZINC000601969441 491955761 /nfs/dbraw/zinc/95/57/61/491955761.db2.gz RGCKBOXWFSUVBY-CVEARBPZSA-N 2 2 369.506 0.754 10 0 FCAELP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O)C1CC1 ZINC000601969441 491955762 /nfs/dbraw/zinc/95/57/62/491955762.db2.gz RGCKBOXWFSUVBY-CVEARBPZSA-N 2 2 369.506 0.754 10 0 FCAELP CO[C@@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)[C@H]1CCOC1 ZINC000613006178 491961712 /nfs/dbraw/zinc/96/17/12/491961712.db2.gz RIYBJWFXNASSLV-HVVXOQGOSA-N 2 2 351.491 0.807 10 0 FCAELP CO[C@@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)[C@H]1CCOC1 ZINC000613006178 491961713 /nfs/dbraw/zinc/96/17/13/491961713.db2.gz RIYBJWFXNASSLV-HVVXOQGOSA-N 2 2 351.491 0.807 10 0 FCAELP COC(=O)Cc1cc[nH+]c(N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000596077108 491974699 /nfs/dbraw/zinc/97/46/99/491974699.db2.gz HNPXGZGNGWUDFC-UHFFFAOYSA-N 2 2 360.458 0.788 10 0 FCAELP C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)C1 ZINC000614065301 492012812 /nfs/dbraw/zinc/01/28/12/492012812.db2.gz MKDZUZQGEJFDAF-IBGZPJMESA-N 2 2 362.474 0.443 10 0 FCAELP Cn1cc[nH+]c1[C@@H](CC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)C(F)(F)F ZINC000614502921 492033659 /nfs/dbraw/zinc/03/36/59/492033659.db2.gz DUKDQRXFFSXITD-QWHCGFSZSA-N 2 2 359.396 0.962 10 0 FCAELP Cn1cc[nH+]c1[C@@H](CC(=O)NC[C@H]1C[N@H+]2CCN1CCC2)C(F)(F)F ZINC000614502921 492033660 /nfs/dbraw/zinc/03/36/60/492033660.db2.gz DUKDQRXFFSXITD-QWHCGFSZSA-N 2 2 359.396 0.962 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC3(O)Cc4ccccc4C3)C2)CC1 ZINC000606511115 492123929 /nfs/dbraw/zinc/12/39/29/492123929.db2.gz DVAGYGDVWNCEGO-GOSISDBHSA-N 2 2 372.513 0.984 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC3(O)Cc4ccccc4C3)C2)CC1 ZINC000606511115 492123932 /nfs/dbraw/zinc/12/39/32/492123932.db2.gz DVAGYGDVWNCEGO-GOSISDBHSA-N 2 2 372.513 0.984 10 0 FCAELP COC(=O)[C@]1(OC)CC[NH+]([C@H](C)CC[N@H+]2CC[C@@](OC)(C(=O)OC)C2)C1 ZINC000599567274 492189364 /nfs/dbraw/zinc/18/93/64/492189364.db2.gz WBRFFNCAMQIVNB-JLSDUUJJSA-N 2 2 372.462 0.293 10 0 FCAELP COC(=O)[C@]1(OC)CC[NH+]([C@H](C)CC[N@@H+]2CC[C@@](OC)(C(=O)OC)C2)C1 ZINC000599567274 492189366 /nfs/dbraw/zinc/18/93/66/492189366.db2.gz WBRFFNCAMQIVNB-JLSDUUJJSA-N 2 2 372.462 0.293 10 0 FCAELP COC(=O)[C@]1(OC)CC[NH+](CC[C@@H](C)[N@@H+]2CC[C@@](OC)(C(=O)OC)C2)C1 ZINC000599567274 492189369 /nfs/dbraw/zinc/18/93/69/492189369.db2.gz WBRFFNCAMQIVNB-JLSDUUJJSA-N 2 2 372.462 0.293 10 0 FCAELP COC(=O)[C@]1(OC)CC[NH+](CC[C@@H](C)[N@H+]2CC[C@@](OC)(C(=O)OC)C2)C1 ZINC000599567274 492189370 /nfs/dbraw/zinc/18/93/70/492189370.db2.gz WBRFFNCAMQIVNB-JLSDUUJJSA-N 2 2 372.462 0.293 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1csc(N2CCOCC2)n1 ZINC000617764025 492190064 /nfs/dbraw/zinc/19/00/64/492190064.db2.gz GELYKCAOEYUCKR-UHFFFAOYSA-N 2 2 369.535 0.522 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1csc(N2CCOCC2)n1 ZINC000617764025 492190067 /nfs/dbraw/zinc/19/00/67/492190067.db2.gz GELYKCAOEYUCKR-UHFFFAOYSA-N 2 2 369.535 0.522 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000617767811 492190735 /nfs/dbraw/zinc/19/07/35/492190735.db2.gz DHNVPYFSRVBJMZ-RYUDHWBXSA-N 2 2 352.401 0.443 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000617767811 492190736 /nfs/dbraw/zinc/19/07/36/492190736.db2.gz DHNVPYFSRVBJMZ-RYUDHWBXSA-N 2 2 352.401 0.443 10 0 FCAELP C[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000617768522 492190964 /nfs/dbraw/zinc/19/09/64/492190964.db2.gz HRBJSHBCYZUISW-PMPSAXMXSA-N 2 2 366.506 0.550 10 0 FCAELP C[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000617768522 492190967 /nfs/dbraw/zinc/19/09/67/492190967.db2.gz HRBJSHBCYZUISW-PMPSAXMXSA-N 2 2 366.506 0.550 10 0 FCAELP C[N@@H+]1CCO[C@H](C(=O)NC2(C[NH+]3CCN(c4ccccc4)CC3)CC2)C1 ZINC000619065867 492249277 /nfs/dbraw/zinc/24/92/77/492249277.db2.gz LSJJRBXYWOOSIZ-SFHVURJKSA-N 2 2 358.486 0.788 10 0 FCAELP C[N@H+]1CCO[C@H](C(=O)NC2(C[NH+]3CCN(c4ccccc4)CC3)CC2)C1 ZINC000619065867 492249278 /nfs/dbraw/zinc/24/92/78/492249278.db2.gz LSJJRBXYWOOSIZ-SFHVURJKSA-N 2 2 358.486 0.788 10 0 FCAELP CN(CCOCCNC(=O)C[NH+]1CC(C)(C)C1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000619326221 492261050 /nfs/dbraw/zinc/26/10/50/492261050.db2.gz MPCVNJCBRSLYPB-UHFFFAOYSA-N 2 2 368.522 0.261 10 0 FCAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@H](O)CN3CCOCC3)c2cc1C ZINC000647514476 492301518 /nfs/dbraw/zinc/30/15/18/492301518.db2.gz LHNBCYJPCHUPIA-IRXDYDNUSA-N 2 2 362.474 0.297 10 0 FCAELP C[C@H](CNC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000654453463 492306526 /nfs/dbraw/zinc/30/65/26/492306526.db2.gz AIRWTONGTPNMFX-TWMKSMIVSA-N 2 2 356.511 0.752 10 0 FCAELP C[C@H](CNC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000654453463 492306529 /nfs/dbraw/zinc/30/65/29/492306529.db2.gz AIRWTONGTPNMFX-TWMKSMIVSA-N 2 2 356.511 0.752 10 0 FCAELP C[NH2+]CCOCCNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000627464730 492307273 /nfs/dbraw/zinc/30/72/73/492307273.db2.gz LNUCPBKIRJDUAD-INIZCTEOSA-N 2 2 362.474 0.072 10 0 FCAELP C[NH2+]CCOCCNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000627464730 492307277 /nfs/dbraw/zinc/30/72/77/492307277.db2.gz LNUCPBKIRJDUAD-INIZCTEOSA-N 2 2 362.474 0.072 10 0 FCAELP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627476366 492313853 /nfs/dbraw/zinc/31/38/53/492313853.db2.gz DSZSZFAACBLDJO-RDJZCZTQSA-N 2 2 374.485 0.596 10 0 FCAELP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)NCCOCCC[NH3+])CC2)c1 ZINC000627488768 492320237 /nfs/dbraw/zinc/32/02/37/492320237.db2.gz IJJBUCAAGCNJTD-UHFFFAOYSA-N 2 2 362.474 0.121 10 0 FCAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NCC(=O)NCC[NH+]1CCCCCC1)CC2 ZINC000627513382 492329247 /nfs/dbraw/zinc/32/92/47/492329247.db2.gz BJODXAVRNPPYDV-MRXNPFEDSA-N 2 2 361.490 0.862 10 0 FCAELP C[C@@H](CNC(=O)N1CC[NH+](C2CCOCC2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650494 492330617 /nfs/dbraw/zinc/33/06/17/492330617.db2.gz GSTGUYDHMQQUSB-YESZJQIVSA-N 2 2 368.522 0.990 10 0 FCAELP C[C@@H](CNC(=O)N1CC[NH+](C2CCOCC2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650494 492330618 /nfs/dbraw/zinc/33/06/18/492330618.db2.gz GSTGUYDHMQQUSB-YESZJQIVSA-N 2 2 368.522 0.990 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000654650379 492331076 /nfs/dbraw/zinc/33/10/76/492331076.db2.gz WJGCGSMMPNALGK-YESZJQIVSA-N 2 2 356.511 0.848 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000654650379 492331090 /nfs/dbraw/zinc/33/10/90/492331090.db2.gz WJGCGSMMPNALGK-YESZJQIVSA-N 2 2 356.511 0.848 10 0 FCAELP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000647597042 492331782 /nfs/dbraw/zinc/33/17/82/492331782.db2.gz FKXGFEGYGHWUHW-HZPDHXFCSA-N 3 2 367.538 0.295 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654653388 492331912 /nfs/dbraw/zinc/33/19/12/492331912.db2.gz ARVMUTCNHKXDPM-VVLHAWIVSA-N 2 2 356.511 0.846 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654653388 492331914 /nfs/dbraw/zinc/33/19/14/492331914.db2.gz ARVMUTCNHKXDPM-VVLHAWIVSA-N 2 2 356.511 0.846 10 0 FCAELP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000620915934 492344688 /nfs/dbraw/zinc/34/46/88/492344688.db2.gz QLVOWYXZPSJXBU-INIZCTEOSA-N 2 2 368.522 0.545 10 0 FCAELP C[NH+](C)CCN1CCC(Nc2nc(NCCO)c3ccccc3[nH+]2)CC1 ZINC000642326549 492351527 /nfs/dbraw/zinc/35/15/27/492351527.db2.gz AHPDFYKSUFVPIW-UHFFFAOYSA-N 2 2 358.490 0.316 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@@H]2CCCCN(C)C2=O)C1 ZINC000634737377 492364947 /nfs/dbraw/zinc/36/49/47/492364947.db2.gz QGAJQKCJYQCZPF-DLBZAZTESA-N 2 2 368.522 0.402 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@@H]2CCCCN(C)C2=O)C1 ZINC000634737377 492364949 /nfs/dbraw/zinc/36/49/49/492364949.db2.gz QGAJQKCJYQCZPF-DLBZAZTESA-N 2 2 368.522 0.402 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)[C@@H]2CCCCN(C)C2=O)C1 ZINC000634737377 492364952 /nfs/dbraw/zinc/36/49/52/492364952.db2.gz QGAJQKCJYQCZPF-DLBZAZTESA-N 2 2 368.522 0.402 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)[C@@H]2CCCCN(C)C2=O)C1 ZINC000634737377 492364954 /nfs/dbraw/zinc/36/49/54/492364954.db2.gz QGAJQKCJYQCZPF-DLBZAZTESA-N 2 2 368.522 0.402 10 0 FCAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000648814094 492461820 /nfs/dbraw/zinc/46/18/20/492461820.db2.gz NFUPIKWMIRBSGQ-GJZGRUSLSA-N 2 2 370.519 0.974 10 0 FCAELP C[NH+]1CCC(CCO)(NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC1 ZINC000622490633 492476031 /nfs/dbraw/zinc/47/60/31/492476031.db2.gz BZSVZEBIUJPARF-UHFFFAOYSA-N 2 2 362.474 0.490 10 0 FCAELP CC(C)[C@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC[NH2+]1 ZINC000643509233 492484384 /nfs/dbraw/zinc/48/43/84/492484384.db2.gz LDFSGFJCZPRBFI-IAGOWNOFSA-N 2 2 366.506 0.156 10 0 FCAELP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000649071546 492488645 /nfs/dbraw/zinc/48/86/45/492488645.db2.gz MOORRDMCUVJNAM-GDBMZVCRSA-N 2 2 352.479 0.208 10 0 FCAELP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000649071546 492488647 /nfs/dbraw/zinc/48/86/47/492488647.db2.gz MOORRDMCUVJNAM-GDBMZVCRSA-N 2 2 352.479 0.208 10 0 FCAELP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000649074436 492491321 /nfs/dbraw/zinc/49/13/21/492491321.db2.gz IRTQUKYRXLTRKA-FUHWJXTLSA-N 2 2 374.485 0.466 10 0 FCAELP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000649074436 492491326 /nfs/dbraw/zinc/49/13/26/492491326.db2.gz IRTQUKYRXLTRKA-FUHWJXTLSA-N 2 2 374.485 0.466 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000643541396 492494778 /nfs/dbraw/zinc/49/47/78/492494778.db2.gz FCJRAJXZQYLAEA-HZPDHXFCSA-N 2 2 357.458 0.249 10 0 FCAELP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000655954681 492495738 /nfs/dbraw/zinc/49/57/38/492495738.db2.gz IAHQUQPLKJCMRI-SOUVJXGZSA-N 2 2 362.474 0.958 10 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354.495 0.058 10 0 FCAELP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000656060514 492524721 /nfs/dbraw/zinc/52/47/21/492524721.db2.gz DTUOHCOPSLHELX-BPQIPLTHSA-N 2 2 358.486 0.958 10 0 FCAELP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000656060514 492524724 /nfs/dbraw/zinc/52/47/24/492524724.db2.gz DTUOHCOPSLHELX-BPQIPLTHSA-N 2 2 358.486 0.958 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656065602 492528152 /nfs/dbraw/zinc/52/81/52/492528152.db2.gz GKNDUSXKWBTWOH-HRCADAONSA-N 2 2 366.506 0.155 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656065602 492528155 /nfs/dbraw/zinc/52/81/55/492528155.db2.gz GKNDUSXKWBTWOH-HRCADAONSA-N 2 2 366.506 0.155 10 0 FCAELP O=C(N[C@@H]1Cc2c[nH+]cn2C1)C1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCC1 ZINC000623264624 492534814 /nfs/dbraw/zinc/53/48/14/492534814.db2.gz PLIXTBKSKDCFMV-CHWSQXEVSA-N 2 2 354.414 0.032 10 0 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CCC1([NH+]2CCOCC2)CCN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)CC1 ZINC000629419989 492625581 /nfs/dbraw/zinc/62/55/81/492625581.db2.gz ZKPZPILIMOVEAH-UHFFFAOYSA-N 2 2 368.522 0.546 10 0 FCAELP C[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)N1CC[NH+](C)CC1 ZINC000629438666 492630046 /nfs/dbraw/zinc/63/00/46/492630046.db2.gz LMUMRKJZTZEOMO-FUHWJXTLSA-N 2 2 361.490 0.035 10 0 FCAELP C[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)N1CC[NH+](C)CC1 ZINC000629438666 492630048 /nfs/dbraw/zinc/63/00/48/492630048.db2.gz LMUMRKJZTZEOMO-FUHWJXTLSA-N 2 2 361.490 0.035 10 0 FCAELP C[C@@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000624284127 492634544 /nfs/dbraw/zinc/63/45/44/492634544.db2.gz HOCUWNQJQCVINX-WBVHZDCISA-N 2 2 366.531 0.977 10 0 FCAELP C[C@@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000624284127 492634546 /nfs/dbraw/zinc/63/45/46/492634546.db2.gz HOCUWNQJQCVINX-WBVHZDCISA-N 2 2 366.531 0.977 10 0 FCAELP CCN1C(=O)CO[C@H](C(=O)NC[C@H](C2CC2)[NH+](C)C)[C@H]1c1[nH+]ccn1C ZINC000624418958 492648607 /nfs/dbraw/zinc/64/86/07/492648607.db2.gz WWXVMWBMEVTRJS-KBMXLJTQSA-N 2 2 363.462 0.165 10 0 FCAELP CCCNC(=O)C[NH+]1CCC(NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000651098478 492707323 /nfs/dbraw/zinc/70/73/23/492707323.db2.gz UMCDGTWRCWNYMY-UHFFFAOYSA-N 2 2 361.490 0.869 10 0 FCAELP C[NH+](C)[C@H](CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)c1cccc(F)c1 ZINC000631664710 492832584 /nfs/dbraw/zinc/83/25/84/492832584.db2.gz UGOUWDWSSQLYNT-JKSUJKDBSA-N 2 2 359.467 0.678 10 0 FCAELP C[NH+](C)[C@H](CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)c1cccc(F)c1 ZINC000631664710 492832587 /nfs/dbraw/zinc/83/25/87/492832587.db2.gz UGOUWDWSSQLYNT-JKSUJKDBSA-N 2 2 359.467 0.678 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)CC[N@@H+]1C ZINC000631739919 492845581 /nfs/dbraw/zinc/84/55/81/492845581.db2.gz HIZBYNWXIZWIFT-YESZJQIVSA-N 2 2 350.507 0.872 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)CC[N@H+]1C ZINC000631739919 492845583 /nfs/dbraw/zinc/84/55/83/492845583.db2.gz HIZBYNWXIZWIFT-YESZJQIVSA-N 2 2 350.507 0.872 10 0 FCAELP C[NH+](C)CCN(Cc1cccc(F)c1)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631813953 492857927 /nfs/dbraw/zinc/85/79/27/492857927.db2.gz XPCUUOIMWNNZNE-QGZVFWFLSA-N 2 2 373.494 0.850 10 0 FCAELP C[NH+](C)CCN(Cc1cccc(F)c1)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631813953 492857928 /nfs/dbraw/zinc/85/79/28/492857928.db2.gz XPCUUOIMWNNZNE-QGZVFWFLSA-N 2 2 373.494 0.850 10 0 FCAELP CC(C)n1ccc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n1 ZINC000658339057 492862117 /nfs/dbraw/zinc/86/21/17/492862117.db2.gz NWRCTBUDQBHOPT-AWEZNQCLSA-N 2 2 352.483 0.791 10 0 FCAELP CC(C)n1ccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n1 ZINC000658339057 492862119 /nfs/dbraw/zinc/86/21/19/492862119.db2.gz NWRCTBUDQBHOPT-AWEZNQCLSA-N 2 2 352.483 0.791 10 0 FCAELP CC[NH+]1CCN(CC(=O)N(CCn2cc[nH+]c2)Cc2cnn(C)c2)CC1 ZINC000652012930 492862666 /nfs/dbraw/zinc/86/26/66/492862666.db2.gz UTTRKMWUZYVAGL-UHFFFAOYSA-N 2 2 359.478 0.283 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H]3C[NH2+]CC[C@@H]32)C1 ZINC000631889309 492870520 /nfs/dbraw/zinc/87/05/20/492870520.db2.gz IGFKONVQCJPFTO-KSZLIROESA-N 3 2 352.523 0.533 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H]3C[NH2+]CC[C@@H]32)C1 ZINC000631889309 492870522 /nfs/dbraw/zinc/87/05/22/492870522.db2.gz IGFKONVQCJPFTO-KSZLIROESA-N 3 2 352.523 0.533 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)C1 ZINC000631889309 492870528 /nfs/dbraw/zinc/87/05/28/492870528.db2.gz IGFKONVQCJPFTO-KSZLIROESA-N 3 2 352.523 0.533 10 0 FCAELP C[NH+]1CCN(C(=O)C2CCN(c3nc(N)[nH+]c4c3CCCC4)CC2)CC1 ZINC000645126090 492870598 /nfs/dbraw/zinc/87/05/98/492870598.db2.gz RXVDEIQZUXCSCE-UHFFFAOYSA-N 2 2 358.490 0.928 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)C1 ZINC000631889309 492870533 /nfs/dbraw/zinc/87/05/33/492870533.db2.gz IGFKONVQCJPFTO-KSZLIROESA-N 3 2 352.523 0.533 10 0 FCAELP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000631911090 492876820 /nfs/dbraw/zinc/87/68/20/492876820.db2.gz VQGBFASRZNMXCG-QGZVFWFLSA-N 2 2 353.488 0.165 10 0 FCAELP Cn1cc[nH+]c1[C@@H](NS(=O)(=O)C[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000631911018 492876865 /nfs/dbraw/zinc/87/68/65/492876865.db2.gz TYDVKLNNAUPMCX-GJZGRUSLSA-N 2 2 350.444 0.417 10 0 FCAELP Cc1cccn2cc(CCNC(=O)N3CN(CC[NH+](C)C)C(=O)[C@H]3C)[nH+]c12 ZINC000645252194 492883810 /nfs/dbraw/zinc/88/38/10/492883810.db2.gz GROWNNUIRCINAH-OAHLLOKOSA-N 2 2 372.473 0.947 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000658425750 492884848 /nfs/dbraw/zinc/88/48/48/492884848.db2.gz DORUQCZUGLJGMQ-UHFFFAOYSA-N 2 2 364.494 0.712 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000658425750 492884853 /nfs/dbraw/zinc/88/48/53/492884853.db2.gz DORUQCZUGLJGMQ-UHFFFAOYSA-N 2 2 364.494 0.712 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cncc2c1CCCC2 ZINC000658427265 492885419 /nfs/dbraw/zinc/88/54/19/492885419.db2.gz HOMBXRLMBZNUHB-UHFFFAOYSA-N 2 2 361.490 0.899 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cncc2c1CCCC2 ZINC000658427265 492885421 /nfs/dbraw/zinc/88/54/21/492885421.db2.gz HOMBXRLMBZNUHB-UHFFFAOYSA-N 2 2 361.490 0.899 10 0 FCAELP Cn1ncc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1C(F)F ZINC000658429466 492887713 /nfs/dbraw/zinc/88/77/13/492887713.db2.gz YMPZYILOOKMNLA-UHFFFAOYSA-N 2 2 360.409 0.296 10 0 FCAELP Cn1ncc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1C(F)F ZINC000658429466 492887715 /nfs/dbraw/zinc/88/77/15/492887715.db2.gz YMPZYILOOKMNLA-UHFFFAOYSA-N 2 2 360.409 0.296 10 0 FCAELP O=S(=O)(NC1CC1)c1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000652340969 492912558 /nfs/dbraw/zinc/91/25/58/492912558.db2.gz QUTJOYNTPJGEFJ-QGZVFWFLSA-N 2 2 364.515 0.607 10 0 FCAELP CCO[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000652356751 492914465 /nfs/dbraw/zinc/91/44/65/492914465.db2.gz FMEHDVBNNPJEJA-RTBURBONSA-N 3 2 360.502 0.626 10 0 FCAELP CCO[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000652356751 492914467 /nfs/dbraw/zinc/91/44/67/492914467.db2.gz FMEHDVBNNPJEJA-RTBURBONSA-N 3 2 360.502 0.626 10 0 FCAELP CCO[C@@H]1C[N@H+](CC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)C[C@H]1C[NH3+] ZINC000652357439 492914611 /nfs/dbraw/zinc/91/46/11/492914611.db2.gz OWVCMABTTWVOHY-IAGOWNOFSA-N 2 2 368.522 0.387 10 0 FCAELP CCO[C@@H]1C[N@@H+](CC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)C[C@H]1C[NH3+] ZINC000652357439 492914614 /nfs/dbraw/zinc/91/46/14/492914614.db2.gz OWVCMABTTWVOHY-IAGOWNOFSA-N 2 2 368.522 0.387 10 0 FCAELP CCO[C@@H]1C[N@H+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C[C@H]1C[NH3+] ZINC000652357782 492915708 /nfs/dbraw/zinc/91/57/08/492915708.db2.gz ABTGPJHBKSETFV-IAQYHMDHSA-N 2 2 370.400 0.315 10 0 FCAELP CCO[C@@H]1C[N@@H+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C[C@H]1C[NH3+] ZINC000652357782 492915711 /nfs/dbraw/zinc/91/57/11/492915711.db2.gz ABTGPJHBKSETFV-IAQYHMDHSA-N 2 2 370.400 0.315 10 0 FCAELP C[N@H+](Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)C[C@@H]2C[NH+](C)CCO2)C1 ZINC000632041098 492917272 /nfs/dbraw/zinc/91/72/72/492917272.db2.gz AQKOOXOFNBEZNH-MSOLQXFVSA-N 2 2 367.515 0.853 10 0 FCAELP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)C[C@@H]2C[NH+](C)CCO2)C1 ZINC000632041098 492917276 /nfs/dbraw/zinc/91/72/76/492917276.db2.gz AQKOOXOFNBEZNH-MSOLQXFVSA-N 2 2 367.515 0.853 10 0 FCAELP C[NH+](Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)C1 ZINC000632041098 492917278 /nfs/dbraw/zinc/91/72/78/492917278.db2.gz AQKOOXOFNBEZNH-MSOLQXFVSA-N 2 2 367.515 0.853 10 0 FCAELP C[NH+](Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000632041098 492917284 /nfs/dbraw/zinc/91/72/84/492917284.db2.gz AQKOOXOFNBEZNH-MSOLQXFVSA-N 2 2 367.515 0.853 10 0 FCAELP C[N@H+](CCNS(=O)(=O)C[C@H]1C[NH+](C)CCO1)Cc1ccc(F)cc1 ZINC000632068879 492922569 /nfs/dbraw/zinc/92/25/69/492922569.db2.gz RHNXFAJENJWLJW-MRXNPFEDSA-N 2 2 359.467 0.508 10 0 FCAELP C[N@@H+](CCNS(=O)(=O)C[C@H]1C[NH+](C)CCO1)Cc1ccc(F)cc1 ZINC000632068879 492922573 /nfs/dbraw/zinc/92/25/73/492922573.db2.gz RHNXFAJENJWLJW-MRXNPFEDSA-N 2 2 359.467 0.508 10 0 FCAELP C[NH+](CCNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)Cc1ccc(F)cc1 ZINC000632068879 492922576 /nfs/dbraw/zinc/92/25/76/492922576.db2.gz RHNXFAJENJWLJW-MRXNPFEDSA-N 2 2 359.467 0.508 10 0 FCAELP C[NH+](CCNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)Cc1ccc(F)cc1 ZINC000632068879 492922577 /nfs/dbraw/zinc/92/25/77/492922577.db2.gz RHNXFAJENJWLJW-MRXNPFEDSA-N 2 2 359.467 0.508 10 0 FCAELP CN(C(=O)CCc1nn[nH]n1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000632100456 492929500 /nfs/dbraw/zinc/92/95/00/492929500.db2.gz DJOPZMRBIFMKCI-HOTGVXAUSA-N 2 2 363.510 0.928 10 0 FCAELP CN(C(=O)CCc1nn[nH]n1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000632100456 492929503 /nfs/dbraw/zinc/92/95/03/492929503.db2.gz DJOPZMRBIFMKCI-HOTGVXAUSA-N 2 2 363.510 0.928 10 0 FCAELP Cc1c[nH+]cn1CC(=O)NC1CCC(NC(=O)Cn2c[nH+]cc2C)CC1 ZINC000626256636 492953238 /nfs/dbraw/zinc/95/32/38/492953238.db2.gz ZNIIEERAKYVBHV-UHFFFAOYSA-N 2 2 358.446 0.940 10 0 FCAELP CCO[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)C[C@H]1C[NH3+] ZINC000652636541 492974637 /nfs/dbraw/zinc/97/46/37/492974637.db2.gz OBDGANWKJHNBCS-MLGOLLRUSA-N 2 2 359.430 0.642 10 0 FCAELP [NH3+]CC1(CCNC(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC1 ZINC000652713509 492998459 /nfs/dbraw/zinc/99/84/59/492998459.db2.gz QGGGKEHJLMLLCT-UHFFFAOYSA-N 2 2 374.485 0.455 10 0 FCAELP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000632559888 493029623 /nfs/dbraw/zinc/02/96/23/493029623.db2.gz NRPBNRDHMQFAHQ-UHFFFAOYSA-N 2 2 358.402 0.121 10 0 FCAELP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000658741098 493038393 /nfs/dbraw/zinc/03/83/93/493038393.db2.gz GORGLQJSXJGWEY-MRXNPFEDSA-N 2 2 373.501 0.945 10 0 FCAELP C[NH2+]CCOCCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000626868084 493041880 /nfs/dbraw/zinc/04/18/80/493041880.db2.gz PEYKVPCJRGVXNB-UHFFFAOYSA-N 2 2 359.430 0.741 10 0 FCAELP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000658759466 493044945 /nfs/dbraw/zinc/04/49/45/493044945.db2.gz QACDUPNNXMVUGO-HNNXBMFYSA-N 2 2 368.522 0.545 10 0 FCAELP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000658759466 493044952 /nfs/dbraw/zinc/04/49/52/493044952.db2.gz QACDUPNNXMVUGO-HNNXBMFYSA-N 2 2 368.522 0.545 10 0 FCAELP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NC2(C[NH3+])CCOCC2)c1 ZINC000626884134 493050353 /nfs/dbraw/zinc/05/03/53/493050353.db2.gz SYPYACWPJFYULN-UHFFFAOYSA-N 2 2 357.414 0.650 10 0 FCAELP CC[C@H](C(=O)N1CC[NH+](CCOCCOC)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000652997529 493054369 /nfs/dbraw/zinc/05/43/69/493054369.db2.gz CCUNSHAUXKMLMZ-ZWKOTPCHSA-N 2 2 371.522 0.683 10 0 FCAELP CC[C@H](C(=O)N1CC[NH+](CCOCCOC)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000652997529 493054372 /nfs/dbraw/zinc/05/43/72/493054372.db2.gz CCUNSHAUXKMLMZ-ZWKOTPCHSA-N 2 2 371.522 0.683 10 0 FCAELP CCN(C(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000658801596 493059990 /nfs/dbraw/zinc/05/99/90/493059990.db2.gz JMIQAROIKFXLNS-OAHLLOKOSA-N 2 2 354.495 0.108 10 0 FCAELP CCN(C(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000658801596 493059994 /nfs/dbraw/zinc/05/99/94/493059994.db2.gz JMIQAROIKFXLNS-OAHLLOKOSA-N 2 2 354.495 0.108 10 0 FCAELP CCN(C(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)[C@@H]1CC[NH+](C)C1 ZINC000658801596 493059995 /nfs/dbraw/zinc/05/99/95/493059995.db2.gz JMIQAROIKFXLNS-OAHLLOKOSA-N 2 2 354.495 0.108 10 0 FCAELP CCN(C(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)[C@@H]1CC[NH+](C)C1 ZINC000658801596 493059999 /nfs/dbraw/zinc/05/99/99/493059999.db2.gz JMIQAROIKFXLNS-OAHLLOKOSA-N 2 2 354.495 0.108 10 0 FCAELP CCN(C(=O)C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000658804370 493062155 /nfs/dbraw/zinc/06/21/55/493062155.db2.gz SPMYEDWJPMZURN-WCVJEAGWSA-N 2 2 354.495 0.153 10 0 FCAELP CCN(C(=O)C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000658804370 493062158 /nfs/dbraw/zinc/06/21/58/493062158.db2.gz SPMYEDWJPMZURN-WCVJEAGWSA-N 2 2 354.495 0.153 10 0 FCAELP CCN(C(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000658804370 493062161 /nfs/dbraw/zinc/06/21/61/493062161.db2.gz SPMYEDWJPMZURN-WCVJEAGWSA-N 2 2 354.495 0.153 10 0 FCAELP CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000658804370 493062166 /nfs/dbraw/zinc/06/21/66/493062166.db2.gz SPMYEDWJPMZURN-WCVJEAGWSA-N 2 2 354.495 0.153 10 0 FCAELP [NH3+]CCCOCCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000626919709 493062496 /nfs/dbraw/zinc/06/24/96/493062496.db2.gz MPPVZAPRZQEFTD-AWEZNQCLSA-N 2 2 356.492 0.786 10 0 FCAELP [NH3+]CC1(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCOCC1 ZINC000626920714 493063587 /nfs/dbraw/zinc/06/35/87/493063587.db2.gz JWVXEBOEOSJLEP-KRWDZBQOSA-N 2 2 362.474 0.695 10 0 FCAELP [NH3+]CC1(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCOCC1 ZINC000626920714 493063591 /nfs/dbraw/zinc/06/35/91/493063591.db2.gz JWVXEBOEOSJLEP-KRWDZBQOSA-N 2 2 362.474 0.695 10 0 FCAELP C[NH2+]CCOCCNC(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000626934369 493066298 /nfs/dbraw/zinc/06/62/98/493066298.db2.gz YAWWRGKRLZLUGX-SFHVURJKSA-N 2 2 364.490 0.904 10 0 FCAELP C[NH2+]CCOCCNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000626943986 493068166 /nfs/dbraw/zinc/06/81/66/493068166.db2.gz MCRZGSQYNXQZHD-SFHVURJKSA-N 2 2 364.490 0.904 10 0 FCAELP CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653097908 493069836 /nfs/dbraw/zinc/06/98/36/493069836.db2.gz YMXBMDJZEBXCOY-OLZOCXBDSA-N 2 2 366.428 0.915 10 0 FCAELP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000653124167 493074930 /nfs/dbraw/zinc/07/49/30/493074930.db2.gz SDYBGLCJDYNCOS-KRWDZBQOSA-N 3 2 361.490 0.221 10 0 FCAELP CCN(C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000658830409 493076773 /nfs/dbraw/zinc/07/67/73/493076773.db2.gz SCXMHDFYLYHDOT-SJORKVTESA-N 2 2 366.506 0.252 10 0 FCAELP CCN(C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000658830409 493076776 /nfs/dbraw/zinc/07/67/76/493076776.db2.gz SCXMHDFYLYHDOT-SJORKVTESA-N 2 2 366.506 0.252 10 0 FCAELP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000653137718 493077512 /nfs/dbraw/zinc/07/75/12/493077512.db2.gz PDEAWKGOKKXSNQ-ZDUSSCGKSA-N 2 2 359.396 0.714 10 0 FCAELP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)NC[C@@H]1COCC[NH2+]1 ZINC000627018090 493081274 /nfs/dbraw/zinc/08/12/74/493081274.db2.gz RJJHBQJJYUKMSS-CQSZACIVSA-N 2 2 352.866 0.986 10 0 FCAELP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)NC[C@@H]1COCC[NH2+]1 ZINC000627018090 493081277 /nfs/dbraw/zinc/08/12/77/493081277.db2.gz RJJHBQJJYUKMSS-CQSZACIVSA-N 2 2 352.866 0.986 10 0 FCAELP [NH3+]CC[C@@H](NC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)C(F)F ZINC000627099479 493087558 /nfs/dbraw/zinc/08/75/58/493087558.db2.gz RWVMRRDEJDVGDR-ZIAGYGMSSA-N 2 2 357.405 0.564 10 0 FCAELP [NH3+]CC[C@@H](NC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)C(F)F ZINC000627099479 493087562 /nfs/dbraw/zinc/08/75/62/493087562.db2.gz RWVMRRDEJDVGDR-ZIAGYGMSSA-N 2 2 357.405 0.564 10 0 FCAELP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)NCCOCCC[NH3+])C1 ZINC000627117962 493090643 /nfs/dbraw/zinc/09/06/43/493090643.db2.gz MZZGIBSXTQTTKO-SFHVURJKSA-N 2 2 363.506 0.467 10 0 FCAELP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)NCCOCCC[NH3+])C1 ZINC000627117962 493090648 /nfs/dbraw/zinc/09/06/48/493090648.db2.gz MZZGIBSXTQTTKO-SFHVURJKSA-N 2 2 363.506 0.467 10 0 FCAELP CN(CCOCC[NH3+])C(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000627117902 493091094 /nfs/dbraw/zinc/09/10/94/493091094.db2.gz LVFZMWBRRLDCMK-GOSISDBHSA-N 2 2 363.506 0.419 10 0 FCAELP CN(CCOCC[NH3+])C(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000627117902 493091095 /nfs/dbraw/zinc/09/10/95/493091095.db2.gz LVFZMWBRRLDCMK-GOSISDBHSA-N 2 2 363.506 0.419 10 0 FCAELP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627118341 493091100 /nfs/dbraw/zinc/09/11/00/493091100.db2.gz YIWPNNLDJPNAHS-ROUUACIJSA-N 2 2 361.490 0.090 10 0 FCAELP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627118341 493091101 /nfs/dbraw/zinc/09/11/01/493091101.db2.gz YIWPNNLDJPNAHS-ROUUACIJSA-N 2 2 361.490 0.090 10 0 FCAELP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627118341 493091102 /nfs/dbraw/zinc/09/11/02/493091102.db2.gz YIWPNNLDJPNAHS-ROUUACIJSA-N 2 2 361.490 0.090 10 0 FCAELP C[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000658874462 493094116 /nfs/dbraw/zinc/09/41/16/493094116.db2.gz YBLLVNLETZBBCM-CVEARBPZSA-N 2 2 368.522 0.497 10 0 FCAELP C[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000658874462 493094118 /nfs/dbraw/zinc/09/41/18/493094118.db2.gz YBLLVNLETZBBCM-CVEARBPZSA-N 2 2 368.522 0.497 10 0 FCAELP [NH3+][C@@H]1CCCCCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000632932284 493096881 /nfs/dbraw/zinc/09/68/81/493096881.db2.gz FZFITXMFKLBUJI-OAHLLOKOSA-N 2 2 350.467 0.951 10 0 FCAELP COc1ccccc1C[NH+]1CCN(C(=O)NCCOCCC[NH3+])CC1 ZINC000627213024 493108034 /nfs/dbraw/zinc/10/80/34/493108034.db2.gz DRUSCHUJRJXPBK-UHFFFAOYSA-N 2 2 350.463 0.888 10 0 FCAELP O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000627225281 493110653 /nfs/dbraw/zinc/11/06/53/493110653.db2.gz VQSZAEKULGEWTJ-KURKYZTESA-N 2 2 359.474 0.676 10 0 FCAELP O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000627225281 493110656 /nfs/dbraw/zinc/11/06/56/493110656.db2.gz VQSZAEKULGEWTJ-KURKYZTESA-N 2 2 359.474 0.676 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N3CCCCC[C@H]([NH3+])C3)CC2)cc[nH+]1 ZINC000633096179 493123509 /nfs/dbraw/zinc/12/35/09/493123509.db2.gz BPRQCAQQYFZALA-HNNXBMFYSA-N 2 2 360.462 0.164 10 0 FCAELP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000646940395 493129494 /nfs/dbraw/zinc/12/94/94/493129494.db2.gz FLWIGURNDWJQSU-GDBMZVCRSA-N 2 2 365.499 0.798 10 0 FCAELP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000646940395 493129497 /nfs/dbraw/zinc/12/94/97/493129497.db2.gz FLWIGURNDWJQSU-GDBMZVCRSA-N 2 2 365.499 0.798 10 0 FCAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000627297556 493140451 /nfs/dbraw/zinc/14/04/51/493140451.db2.gz MPLHAOLNOMBEDA-PHKINGBFSA-N 2 2 366.412 0.693 10 0 FCAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000627297556 493140453 /nfs/dbraw/zinc/14/04/53/493140453.db2.gz MPLHAOLNOMBEDA-PHKINGBFSA-N 2 2 366.412 0.693 10 0 FCAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000627301816 493142375 /nfs/dbraw/zinc/14/23/75/493142375.db2.gz OYMYGUKSBHSXFO-WMLDXEAASA-N 2 2 360.458 0.002 10 0 FCAELP CC[N@H+](CCCNC(=O)C(=O)NCC1([NH3+])CCOCC1)c1ccccc1 ZINC000627308871 493144756 /nfs/dbraw/zinc/14/47/56/493144756.db2.gz BARIRVLJWCOWOS-UHFFFAOYSA-N 2 2 362.474 0.643 10 0 FCAELP CC[N@@H+](CCCNC(=O)C(=O)NCC1([NH3+])CCOCC1)c1ccccc1 ZINC000627308871 493144758 /nfs/dbraw/zinc/14/47/58/493144758.db2.gz BARIRVLJWCOWOS-UHFFFAOYSA-N 2 2 362.474 0.643 10 0 FCAELP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C(=O)N1CCn2c[nH+]cc2C1 ZINC000659082838 493145074 /nfs/dbraw/zinc/14/50/74/493145074.db2.gz JCLBVSCONYFXDB-MRXNPFEDSA-N 2 2 355.398 0.525 10 0 FCAELP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000659436866 493178693 /nfs/dbraw/zinc/17/86/93/493178693.db2.gz SAHVCMNLVJSLJP-UHFFFAOYSA-N 2 2 357.418 0.504 10 0 FCAELP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc2n(n1)CCCC2 ZINC000647293526 493191084 /nfs/dbraw/zinc/19/10/84/493191084.db2.gz MRUIUCOGMPCFEQ-HZPDHXFCSA-N 2 2 361.490 0.803 10 0 FCAELP CCN(CC[NH3+])C(=O)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000627389265 493196965 /nfs/dbraw/zinc/19/69/65/493196965.db2.gz YHLZFXXBEJDVDU-UHFFFAOYSA-N 2 2 352.866 0.622 10 0 FCAELP CCN(CC[NH3+])C(=O)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000627389265 493196968 /nfs/dbraw/zinc/19/69/68/493196968.db2.gz YHLZFXXBEJDVDU-UHFFFAOYSA-N 2 2 352.866 0.622 10 0 FCAELP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639701 493222761 /nfs/dbraw/zinc/22/27/61/493222761.db2.gz FDJXIWUFDKJWIS-CVEARBPZSA-N 3 2 367.538 0.118 10 0 FCAELP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639701 493222765 /nfs/dbraw/zinc/22/27/65/493222765.db2.gz FDJXIWUFDKJWIS-CVEARBPZSA-N 3 2 367.538 0.118 10 0 FCAELP CO[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC[C@@H]1C ZINC000672638547 493222950 /nfs/dbraw/zinc/22/29/50/493222950.db2.gz UBSBBVXFGVPCDM-YQQAZPJKSA-N 2 2 366.506 0.155 10 0 FCAELP CO[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC[C@@H]1C ZINC000672638547 493222952 /nfs/dbraw/zinc/22/29/52/493222952.db2.gz UBSBBVXFGVPCDM-YQQAZPJKSA-N 2 2 366.506 0.155 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3C[C@H]4CCCC[C@@H]4C3)C2)CC1 ZINC000672639927 493223748 /nfs/dbraw/zinc/22/37/48/493223748.db2.gz UCGRVTQIDBINOJ-ZACQAIPSSA-N 2 2 362.518 0.920 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3C[C@H]4CCCC[C@@H]4C3)C2)CC1 ZINC000672639927 493223749 /nfs/dbraw/zinc/22/37/49/493223749.db2.gz UCGRVTQIDBINOJ-ZACQAIPSSA-N 2 2 362.518 0.920 10 0 FCAELP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000659672205 493243193 /nfs/dbraw/zinc/24/31/93/493243193.db2.gz QNTXHQAWKUBWTQ-CHWSQXEVSA-N 2 2 368.428 0.770 10 0 FCAELP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000659672205 493243196 /nfs/dbraw/zinc/24/31/96/493243196.db2.gz QNTXHQAWKUBWTQ-CHWSQXEVSA-N 2 2 368.428 0.770 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000666981270 493245080 /nfs/dbraw/zinc/24/50/80/493245080.db2.gz QMPXHWASFWTQOU-OAHLLOKOSA-N 2 2 355.527 0.816 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000666981270 493245081 /nfs/dbraw/zinc/24/50/81/493245081.db2.gz QMPXHWASFWTQOU-OAHLLOKOSA-N 2 2 355.527 0.816 10 0 FCAELP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)NCC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000659683517 493251160 /nfs/dbraw/zinc/25/11/60/493251160.db2.gz TUBPSBPSWZDDLP-SHBDPFAUSA-N 2 2 353.426 0.494 10 0 FCAELP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000659685499 493252859 /nfs/dbraw/zinc/25/28/59/493252859.db2.gz PHEKKEOWWLMQOI-UHFFFAOYSA-N 2 2 357.458 0.638 10 0 FCAELP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000667148722 493262486 /nfs/dbraw/zinc/26/24/86/493262486.db2.gz QSWOETWHXFLSIW-MRXNPFEDSA-N 2 2 369.429 0.695 10 0 FCAELP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000659723458 493272726 /nfs/dbraw/zinc/27/27/26/493272726.db2.gz NCJZILWEDCPQBV-PBHICJAKSA-N 2 2 360.458 0.256 10 0 FCAELP CC1[C@H](C(=O)N2CC[NH+](C3CC3)CC2)[C@H]1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000667360079 493278100 /nfs/dbraw/zinc/27/81/00/493278100.db2.gz XGDXOANXSJWHLT-ROUUACIJSA-N 2 2 360.502 0.482 10 0 FCAELP CCc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000682230950 493281607 /nfs/dbraw/zinc/28/16/07/493281607.db2.gz QSIZTIIPFZSDPE-AWEZNQCLSA-N 2 2 363.462 0.802 10 0 FCAELP CCc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000682230950 493281610 /nfs/dbraw/zinc/28/16/10/493281610.db2.gz QSIZTIIPFZSDPE-AWEZNQCLSA-N 2 2 363.462 0.802 10 0 FCAELP CN(C)c1[nH+]cc(CNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)n1C ZINC000682263138 493283195 /nfs/dbraw/zinc/28/31/95/493283195.db2.gz DJPRVMRTFKWLLY-UHFFFAOYSA-N 2 2 368.401 0.322 10 0 FCAELP CN(C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000673300986 493315035 /nfs/dbraw/zinc/31/50/35/493315035.db2.gz RXBNNGGYZSQRIN-GOEBONIOSA-N 2 2 357.458 0.472 10 0 FCAELP CN(C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000673300986 493315037 /nfs/dbraw/zinc/31/50/37/493315037.db2.gz RXBNNGGYZSQRIN-GOEBONIOSA-N 2 2 357.458 0.472 10 0 FCAELP C[NH+]1CCN(CCCCNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000668510991 493367897 /nfs/dbraw/zinc/36/78/97/493367897.db2.gz DINARJFLUJUAIQ-INIZCTEOSA-N 2 2 367.538 0.119 10 0 FCAELP C[NH+]1CCN(CCCCNC(=O)C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000668510991 493367899 /nfs/dbraw/zinc/36/78/99/493367899.db2.gz DINARJFLUJUAIQ-INIZCTEOSA-N 2 2 367.538 0.119 10 0 FCAELP COC[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000660714048 493375686 /nfs/dbraw/zinc/37/56/86/493375686.db2.gz XEPQGCHJLYXTLX-FUHWJXTLSA-N 2 2 368.522 0.896 10 0 FCAELP COC[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000660714048 493375689 /nfs/dbraw/zinc/37/56/89/493375689.db2.gz XEPQGCHJLYXTLX-FUHWJXTLSA-N 2 2 368.522 0.896 10 0 FCAELP CCN(C(=O)C(=O)NCC[NH+]1CCc2sccc2C1)[C@@H]1CC[N@H+](C)C1 ZINC000668644317 493390005 /nfs/dbraw/zinc/39/00/05/493390005.db2.gz UEOQNKJMGCWCMQ-OAHLLOKOSA-N 2 2 364.515 0.775 10 0 FCAELP CCN(C(=O)C(=O)NCC[NH+]1CCc2sccc2C1)[C@@H]1CC[N@@H+](C)C1 ZINC000668644317 493390007 /nfs/dbraw/zinc/39/00/07/493390007.db2.gz UEOQNKJMGCWCMQ-OAHLLOKOSA-N 2 2 364.515 0.775 10 0 FCAELP CCN(C(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1)[C@@H]1CC[NH+](C)C1 ZINC000668644317 493390008 /nfs/dbraw/zinc/39/00/08/493390008.db2.gz UEOQNKJMGCWCMQ-OAHLLOKOSA-N 2 2 364.515 0.775 10 0 FCAELP CCN(C(=O)C(=O)NCC[N@H+]1CCc2sccc2C1)[C@@H]1CC[NH+](C)C1 ZINC000668644317 493390010 /nfs/dbraw/zinc/39/00/10/493390010.db2.gz UEOQNKJMGCWCMQ-OAHLLOKOSA-N 2 2 364.515 0.775 10 0 FCAELP C[NH+]1CCN(c2ncc(C[N@@H+]3CCc4c(cccc4C(N)=O)C3)cn2)CC1 ZINC000668782499 493409876 /nfs/dbraw/zinc/40/98/76/493409876.db2.gz VFQWSWLTAVZDNN-UHFFFAOYSA-N 2 2 366.469 0.886 10 0 FCAELP C[NH+]1CCN(c2ncc(C[N@H+]3CCc4c(cccc4C(N)=O)C3)cn2)CC1 ZINC000668782499 493409878 /nfs/dbraw/zinc/40/98/78/493409878.db2.gz VFQWSWLTAVZDNN-UHFFFAOYSA-N 2 2 366.469 0.886 10 0 FCAELP O=C(C[N@@H+]1CC[C@@H](Cn2ccnn2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000661148947 493412550 /nfs/dbraw/zinc/41/25/50/493412550.db2.gz SDMAIVMXHSROFY-LJQANCHMSA-N 2 2 368.485 0.944 10 0 FCAELP O=C(C[N@H+]1CC[C@@H](Cn2ccnn2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000661148947 493412553 /nfs/dbraw/zinc/41/25/53/493412553.db2.gz SDMAIVMXHSROFY-LJQANCHMSA-N 2 2 368.485 0.944 10 0 FCAELP CN(C[C@@H](O)C[NH+]1CCOCC1)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000674390915 493412747 /nfs/dbraw/zinc/41/27/47/493412747.db2.gz DIDIMZKDJFHBTH-RTBURBONSA-N 2 2 351.491 0.104 10 0 FCAELP CN(C[C@@H](O)C[NH+]1CCOCC1)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000674390915 493412751 /nfs/dbraw/zinc/41/27/51/493412751.db2.gz DIDIMZKDJFHBTH-RTBURBONSA-N 2 2 351.491 0.104 10 0 FCAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000674390915 493412754 /nfs/dbraw/zinc/41/27/54/493412754.db2.gz DIDIMZKDJFHBTH-RTBURBONSA-N 2 2 351.491 0.104 10 0 FCAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000674390915 493412755 /nfs/dbraw/zinc/41/27/55/493412755.db2.gz DIDIMZKDJFHBTH-RTBURBONSA-N 2 2 351.491 0.104 10 0 FCAELP C[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)C[C@@H](O)CN1CCOCC1 ZINC000674390915 493412759 /nfs/dbraw/zinc/41/27/59/493412759.db2.gz DIDIMZKDJFHBTH-RTBURBONSA-N 2 2 351.491 0.104 10 0 FCAELP C[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)C[C@@H](O)CN1CCOCC1 ZINC000674390915 493412762 /nfs/dbraw/zinc/41/27/62/493412762.db2.gz DIDIMZKDJFHBTH-RTBURBONSA-N 2 2 351.491 0.104 10 0 FCAELP CO[C@]1(CO)CCC[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000661390760 493432502 /nfs/dbraw/zinc/43/25/02/493432502.db2.gz WSXFWBREDGXQPC-VQIMIIECSA-N 2 2 362.474 0.592 10 0 FCAELP CO[C@]1(CO)CCC[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000661390760 493432503 /nfs/dbraw/zinc/43/25/03/493432503.db2.gz WSXFWBREDGXQPC-VQIMIIECSA-N 2 2 362.474 0.592 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCC[C@H]4C[C@H]43)C2)CC1 ZINC000668911818 493436016 /nfs/dbraw/zinc/43/60/16/493436016.db2.gz ZHEXBIPFXLMSPG-NBOOPKSLSA-N 2 2 362.518 0.824 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCC[C@H]4C[C@H]43)C2)CC1 ZINC000668911818 493436018 /nfs/dbraw/zinc/43/60/18/493436018.db2.gz ZHEXBIPFXLMSPG-NBOOPKSLSA-N 2 2 362.518 0.824 10 0 FCAELP COCC(COC)[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000661410121 493436376 /nfs/dbraw/zinc/43/63/76/493436376.db2.gz QURULIVLKUMZLJ-OAHLLOKOSA-N 2 2 356.511 0.848 10 0 FCAELP COCC(COC)[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000661410121 493436379 /nfs/dbraw/zinc/43/63/79/493436379.db2.gz QURULIVLKUMZLJ-OAHLLOKOSA-N 2 2 356.511 0.848 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccn1 ZINC000668912878 493436766 /nfs/dbraw/zinc/43/67/66/493436766.db2.gz PCVJAAKDJCWKCP-HZPDHXFCSA-N 2 2 373.501 0.586 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccn1 ZINC000668912878 493436769 /nfs/dbraw/zinc/43/67/69/493436769.db2.gz PCVJAAKDJCWKCP-HZPDHXFCSA-N 2 2 373.501 0.586 10 0 FCAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000674649983 493436997 /nfs/dbraw/zinc/43/69/97/493436997.db2.gz PJDDZZRNUZUWSQ-XLIONFOSSA-N 2 2 374.485 0.789 10 0 FCAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000674649983 493436999 /nfs/dbraw/zinc/43/69/99/493436999.db2.gz PJDDZZRNUZUWSQ-XLIONFOSSA-N 2 2 374.485 0.789 10 0 FCAELP COC[C@H](CCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)OC ZINC000661481436 493441569 /nfs/dbraw/zinc/44/15/69/493441569.db2.gz NPKYLPGFWJLFKB-WFFDWFOESA-N 2 2 368.522 0.990 10 0 FCAELP COC[C@H](CCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)OC ZINC000661481436 493441572 /nfs/dbraw/zinc/44/15/72/493441572.db2.gz NPKYLPGFWJLFKB-WFFDWFOESA-N 2 2 368.522 0.990 10 0 FCAELP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCC(CO)(CO)C3)CC2)c1 ZINC000661944423 493477325 /nfs/dbraw/zinc/47/73/25/493477325.db2.gz JMZAZNZGJDCCGJ-UHFFFAOYSA-N 2 2 361.486 0.316 10 0 FCAELP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCC(CO)(CO)C3)CC2)c1 ZINC000661944423 493477326 /nfs/dbraw/zinc/47/73/26/493477326.db2.gz JMZAZNZGJDCCGJ-UHFFFAOYSA-N 2 2 361.486 0.316 10 0 FCAELP C[NH+]1CCC(CNC(=O)c2ccn3nnnc3c2)([NH+]2CCCCC2)CC1 ZINC000669252964 493483097 /nfs/dbraw/zinc/48/30/97/493483097.db2.gz SVKDJMBAUKYCTH-UHFFFAOYSA-N 2 2 357.462 0.804 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000675518925 493486564 /nfs/dbraw/zinc/48/65/64/493486564.db2.gz ITBPTYXUUMTBQA-GOSISDBHSA-N 2 2 373.501 0.669 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000675518925 493486567 /nfs/dbraw/zinc/48/65/67/493486567.db2.gz ITBPTYXUUMTBQA-GOSISDBHSA-N 2 2 373.501 0.669 10 0 FCAELP C[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1[nH+]ccn1C ZINC000662099672 493488770 /nfs/dbraw/zinc/48/87/70/493488770.db2.gz VSBDAMOKQOYXKG-AVOUXACISA-N 2 2 362.478 0.864 10 0 FCAELP C[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1[nH+]ccn1C ZINC000662099672 493488773 /nfs/dbraw/zinc/48/87/73/493488773.db2.gz VSBDAMOKQOYXKG-AVOUXACISA-N 2 2 362.478 0.864 10 0 FCAELP O=S(=O)(c1ccc(F)cc1)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662250070 493499664 /nfs/dbraw/zinc/49/96/64/493499664.db2.gz XFGWYJXRGGSULS-OAHLLOKOSA-N 2 2 369.462 0.653 10 0 FCAELP NS(=O)(=O)c1cc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)co1 ZINC000662264245 493501596 /nfs/dbraw/zinc/50/15/96/493501596.db2.gz GYCWPEVWLZMRFH-TZMCWYRMSA-N 2 2 370.475 0.007 10 0 FCAELP NS(=O)(=O)c1cc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)co1 ZINC000662264245 493501598 /nfs/dbraw/zinc/50/15/98/493501598.db2.gz GYCWPEVWLZMRFH-TZMCWYRMSA-N 2 2 370.475 0.007 10 0 FCAELP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662322412 493505949 /nfs/dbraw/zinc/50/59/49/493505949.db2.gz LXBQJQDDSAHIMZ-GDBMZVCRSA-N 2 2 354.495 0.141 10 0 FCAELP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662322412 493505951 /nfs/dbraw/zinc/50/59/51/493505951.db2.gz LXBQJQDDSAHIMZ-GDBMZVCRSA-N 2 2 354.495 0.141 10 0 FCAELP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320511 493506012 /nfs/dbraw/zinc/50/60/12/493506012.db2.gz BXTDWJQEKDWKSE-BZUAXINKSA-N 2 2 354.495 0.141 10 0 FCAELP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320511 493506015 /nfs/dbraw/zinc/50/60/15/493506015.db2.gz BXTDWJQEKDWKSE-BZUAXINKSA-N 2 2 354.495 0.141 10 0 FCAELP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319807 493506084 /nfs/dbraw/zinc/50/60/84/493506084.db2.gz MTLGLKZRITVXRH-GDBMZVCRSA-N 2 2 354.495 0.155 10 0 FCAELP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319807 493506085 /nfs/dbraw/zinc/50/60/85/493506085.db2.gz MTLGLKZRITVXRH-GDBMZVCRSA-N 2 2 354.495 0.155 10 0 FCAELP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320513 493506262 /nfs/dbraw/zinc/50/62/62/493506262.db2.gz BXTDWJQEKDWKSE-OAGGEKHMSA-N 2 2 354.495 0.141 10 0 FCAELP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320513 493506265 /nfs/dbraw/zinc/50/62/65/493506265.db2.gz BXTDWJQEKDWKSE-OAGGEKHMSA-N 2 2 354.495 0.141 10 0 FCAELP C[NH+](C)CCC[C@H]1CN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CCO1 ZINC000662314729 493506270 /nfs/dbraw/zinc/50/62/70/493506270.db2.gz BKCZNMGPYOWSAL-KRWDZBQOSA-N 2 2 370.538 0.256 10 0 FCAELP C[NH+](C)CCC[C@H]1C[N@H+](CC(=O)NCCCN2CCCC2=O)CCO1 ZINC000662318872 493506311 /nfs/dbraw/zinc/50/63/11/493506311.db2.gz IEDDMHOTCNFIIQ-INIZCTEOSA-N 2 2 354.495 0.158 10 0 FCAELP C[NH+](C)CCC[C@H]1C[N@@H+](CC(=O)NCCCN2CCCC2=O)CCO1 ZINC000662318872 493506314 /nfs/dbraw/zinc/50/63/14/493506314.db2.gz IEDDMHOTCNFIIQ-INIZCTEOSA-N 2 2 354.495 0.158 10 0 FCAELP C[N@@H+]1CCN(C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000669492389 493507580 /nfs/dbraw/zinc/50/75/80/493507580.db2.gz OGDHGQUBECRQSW-GOSISDBHSA-N 2 2 373.501 0.823 10 0 FCAELP C[N@H+]1CCN(C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000669492389 493507581 /nfs/dbraw/zinc/50/75/81/493507581.db2.gz OGDHGQUBECRQSW-GOSISDBHSA-N 2 2 373.501 0.823 10 0 FCAELP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662406032 493513582 /nfs/dbraw/zinc/51/35/82/493513582.db2.gz SHAHAKSXVHPVCO-GUYCJALGSA-N 2 2 365.503 0.424 10 0 FCAELP COC1CC[NH+](CCNC(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC1 ZINC000685776493 493513896 /nfs/dbraw/zinc/51/38/96/493513896.db2.gz OXRQZCDUTDNGKR-UHFFFAOYSA-N 2 2 362.474 0.754 10 0 FCAELP C[C@@H](NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)[C@@H]1C[N@H+](C)CCO1 ZINC000669631165 493516234 /nfs/dbraw/zinc/51/62/34/493516234.db2.gz DQUNTURXIQNMNO-ZBFHGGJFSA-N 2 2 364.471 0.929 10 0 FCAELP C[C@@H](NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000669631165 493516237 /nfs/dbraw/zinc/51/62/37/493516237.db2.gz DQUNTURXIQNMNO-ZBFHGGJFSA-N 2 2 364.471 0.929 10 0 FCAELP C[C@@H](NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)[C@H]1C[N@H+](C)CCO1 ZINC000669631162 493516381 /nfs/dbraw/zinc/51/63/81/493516381.db2.gz DQUNTURXIQNMNO-GDBMZVCRSA-N 2 2 364.471 0.929 10 0 FCAELP C[C@@H](NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)[C@H]1C[N@@H+](C)CCO1 ZINC000669631162 493516384 /nfs/dbraw/zinc/51/63/84/493516384.db2.gz DQUNTURXIQNMNO-GDBMZVCRSA-N 2 2 364.471 0.929 10 0 FCAELP CN(C)c1ccc(CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c[nH+]1 ZINC000676089716 493522773 /nfs/dbraw/zinc/52/27/73/493522773.db2.gz JBLJXIVXBQQCQH-UHFFFAOYSA-N 2 2 359.434 0.161 10 0 FCAELP CO[C@H](CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1)[C@H]1CCOC1 ZINC000662617894 493528511 /nfs/dbraw/zinc/52/85/11/493528511.db2.gz WDGHMFPHTDAZCG-YTQUADARSA-N 2 2 372.469 0.969 10 0 FCAELP CN1CCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CCC1=O ZINC000662695480 493532665 /nfs/dbraw/zinc/53/26/65/493532665.db2.gz NGFYDOKMFQMFGJ-KRWDZBQOSA-N 2 2 355.442 0.492 10 0 FCAELP CC(C)([NH3+])c1cc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)on1 ZINC000662696299 493532789 /nfs/dbraw/zinc/53/27/89/493532789.db2.gz WPESYRNYCYBGBT-MRXNPFEDSA-N 2 2 354.476 0.806 10 0 FCAELP [NH3+][C@H](C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)c1ccccc1Br ZINC000662906018 493551355 /nfs/dbraw/zinc/55/13/55/493551355.db2.gz HTUCWQYYDKAWAZ-WFASDCNBSA-N 2 2 367.291 0.955 10 0 FCAELP [NH3+][C@H](C(=O)NC[C@H]1C[N@H+]2CCN1CCC2)c1ccccc1Br ZINC000662906018 493551358 /nfs/dbraw/zinc/55/13/58/493551358.db2.gz HTUCWQYYDKAWAZ-WFASDCNBSA-N 2 2 367.291 0.955 10 0 FCAELP CCN1CC[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000670190793 493552119 /nfs/dbraw/zinc/55/21/19/493552119.db2.gz VBKMLLIUNKMHLI-HOTGVXAUSA-N 2 2 351.495 0.417 10 0 FCAELP CCN1CC[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000670190793 493552120 /nfs/dbraw/zinc/55/21/20/493552120.db2.gz VBKMLLIUNKMHLI-HOTGVXAUSA-N 2 2 351.495 0.417 10 0 FCAELP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662928621 493555062 /nfs/dbraw/zinc/55/50/62/493555062.db2.gz RJGHFYZYSYLVKB-KRWDZBQOSA-N 2 2 366.506 0.015 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000662945823 493558933 /nfs/dbraw/zinc/55/89/33/493558933.db2.gz JGKSUQTXCGVMGH-DJIMGWMZSA-N 2 2 362.449 0.617 10 0 FCAELP 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ZINC000663922208 493626038 /nfs/dbraw/zinc/62/60/38/493626038.db2.gz VHYAWURNWAEPRB-UHFFFAOYSA-N 2 2 361.490 0.758 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC(=O)N1CCc2ccccc21 ZINC000663922208 493626040 /nfs/dbraw/zinc/62/60/40/493626040.db2.gz VHYAWURNWAEPRB-UHFFFAOYSA-N 2 2 361.490 0.758 10 0 FCAELP C[NH+](C)CCC[C@H]1CN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CCO1 ZINC000663970528 493628199 /nfs/dbraw/zinc/62/81/99/493628199.db2.gz OSTCGROQNQVLCE-INIZCTEOSA-N 2 2 356.511 0.849 10 0 FCAELP C[NH+](C)CCC[C@H]1CN(C(=O)NCC[N@H+]2CCOCC2(C)C)CCO1 ZINC000663970528 493628201 /nfs/dbraw/zinc/62/82/01/493628201.db2.gz OSTCGROQNQVLCE-INIZCTEOSA-N 2 2 356.511 0.849 10 0 FCAELP CN1CCN(c2cc(N3CCC([N@@H+]4CCCOCC4)CC3)nc[nH+]2)CC1=O ZINC000664010570 493630200 /nfs/dbraw/zinc/63/02/00/493630200.db2.gz DHGISDGRNCHZRJ-UHFFFAOYSA-N 2 2 374.489 0.446 10 0 FCAELP CN1CCN(c2cc(N3CCC([N@H+]4CCCOCC4)CC3)nc[nH+]2)CC1=O ZINC000664010570 493630201 /nfs/dbraw/zinc/63/02/01/493630201.db2.gz DHGISDGRNCHZRJ-UHFFFAOYSA-N 2 2 374.489 0.446 10 0 FCAELP C[NH+]1CCC(CNC(=O)NCCCc2nnc[nH]2)([NH+]2CCCCC2)CC1 ZINC000664235728 493646484 /nfs/dbraw/zinc/64/64/84/493646484.db2.gz XFPNTXXHBJDPRD-UHFFFAOYSA-N 2 2 363.510 0.987 10 0 FCAELP Cc1cccn2c(=O)c(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)cnc12 ZINC000678620994 493652447 /nfs/dbraw/zinc/65/24/47/493652447.db2.gz LGJAVGSXSBHBOV-HNNXBMFYSA-N 2 2 369.469 0.901 10 0 FCAELP Cc1cccn2c(=O)c(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)cnc12 ZINC000678620994 493652449 /nfs/dbraw/zinc/65/24/49/493652449.db2.gz LGJAVGSXSBHBOV-HNNXBMFYSA-N 2 2 369.469 0.901 10 0 FCAELP COC[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C1CCOCC1 ZINC000664537687 493666831 /nfs/dbraw/zinc/66/68/31/493666831.db2.gz PJGGFQGPHICOHY-QGZVFWFLSA-N 2 2 356.511 0.753 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCC1CCS(=O)(=O)CC1 ZINC000664564986 493668398 /nfs/dbraw/zinc/66/83/98/493668398.db2.gz XKAHHRJUSXAEEA-UHFFFAOYSA-N 2 2 362.540 0.384 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCC1CCS(=O)(=O)CC1 ZINC000664564986 493668399 /nfs/dbraw/zinc/66/83/99/493668399.db2.gz XKAHHRJUSXAEEA-UHFFFAOYSA-N 2 2 362.540 0.384 10 0 FCAELP CCN(C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)[C@H]1CC[N@H+](C)C1 ZINC000664631998 493674122 /nfs/dbraw/zinc/67/41/22/493674122.db2.gz OADUNDZCYQTVBJ-LSDHHAIUSA-N 2 2 362.478 0.647 10 0 FCAELP CCN(C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)[C@H]1CC[N@@H+](C)C1 ZINC000664631998 493674124 /nfs/dbraw/zinc/67/41/24/493674124.db2.gz OADUNDZCYQTVBJ-LSDHHAIUSA-N 2 2 362.478 0.647 10 0 FCAELP CCOC1CC(CNC(=O)N(CC)[C@@H]2CC[N@@H+](C)C2)([NH+]2CCOCC2)C1 ZINC000664767646 493682790 /nfs/dbraw/zinc/68/27/90/493682790.db2.gz WYWFYAGLLFWHDB-LRYGQEGESA-N 2 2 368.522 0.992 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ncn(-c2ccccc2)n1 ZINC000664970811 493692398 /nfs/dbraw/zinc/69/23/98/493692398.db2.gz PFKNDTQLVANPCC-UHFFFAOYSA-N 2 2 359.478 0.950 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ncn(-c2ccccc2)n1 ZINC000664970811 493692401 /nfs/dbraw/zinc/69/24/01/493692401.db2.gz 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LYZTYCHCAIBBHG-HNNXBMFYSA-N 2 2 350.463 0.560 10 0 FCAELP C[NH+](C)CC[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1cccnc1 ZINC000921480338 666455864 /nfs/dbraw/zinc/45/58/64/666455864.db2.gz GISSQPDXXXVSNH-KRWDZBQOSA-N 2 2 370.519 0.716 10 0 FCAELP C/C(=C\C(=O)N1CCC(CO)([NH2+]CC(C)C)CC1)C[NH+]1CCOCC1 ZINC000912584372 666458879 /nfs/dbraw/zinc/45/88/79/666458879.db2.gz MWBAHFLGIBGMNX-SFQUDFHCSA-N 2 2 353.507 0.864 10 0 FCAELP O=C(NC[C@]1(CO)COCC[NH2+]1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000913186217 666512714 /nfs/dbraw/zinc/51/27/14/666512714.db2.gz BHAXLHZEAWNKKT-AEFFLSMTSA-N 2 2 351.422 0.257 10 0 FCAELP O=C(NC[C@]1(CO)COCC[NH2+]1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000913186217 666512715 /nfs/dbraw/zinc/51/27/15/666512715.db2.gz BHAXLHZEAWNKKT-AEFFLSMTSA-N 2 2 351.422 0.257 10 0 FCAELP C/C(=C\C(=O)N(C)CC[NH+]1CC2(C1)CCOCC2)C[NH+]1CCOCC1 ZINC000913770249 666649250 /nfs/dbraw/zinc/64/92/50/666649250.db2.gz KZQDNXQOKWBDPZ-GHRIWEEISA-N 2 2 351.491 0.836 10 0 FCAELP 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CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000795315017 669025766 /nfs/dbraw/zinc/02/57/66/669025766.db2.gz JQZIPJQXYZXERS-CRAIPNDOSA-N 2 2 352.479 0.703 10 0 FCAELP CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000795315017 669025773 /nfs/dbraw/zinc/02/57/73/669025773.db2.gz JQZIPJQXYZXERS-CRAIPNDOSA-N 2 2 352.479 0.703 10 0 FCAELP CN(C(=O)[C@H]1COC(=O)N1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000827685695 669590879 /nfs/dbraw/zinc/59/08/79/669590879.db2.gz ROBGVATWKZXACN-BZUAXINKSA-N 2 2 352.479 0.890 10 0 FCAELP CN(C(=O)[C@H]1COC(=O)N1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000827685695 669590882 /nfs/dbraw/zinc/59/08/82/669590882.db2.gz ROBGVATWKZXACN-BZUAXINKSA-N 2 2 352.479 0.890 10 0 FCAELP C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000829645042 669714746 /nfs/dbraw/zinc/71/47/46/669714746.db2.gz CJWBSPDNKHJPJK-GJZGRUSLSA-N 2 2 354.495 0.996 10 0 FCAELP 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Cc1cc([C@H]([NH3+])CC(=O)NC[C@H]2CN3CC[N@H+]2CCC3)cc(Cl)n1 ZINC000852914271 671531807 /nfs/dbraw/zinc/53/18/07/671531807.db2.gz RIYROAUACAWPNF-LSDHHAIUSA-N 2 2 351.882 0.939 10 0 FCAELP CNS(=O)(=O)c1ccccc1N1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903442263 675930532 /nfs/dbraw/zinc/93/05/32/675930532.db2.gz MWOJUROSQJXHEA-CABCVRRESA-N 2 2 352.504 0.572 10 0 FCAELP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000861733478 671988748 /nfs/dbraw/zinc/98/87/48/671988748.db2.gz XVPOIJPLSRJVCB-COLVAYQJSA-N 2 2 354.401 0.632 10 0 FCAELP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000861733478 671988751 /nfs/dbraw/zinc/98/87/51/671988751.db2.gz XVPOIJPLSRJVCB-COLVAYQJSA-N 2 2 354.401 0.632 10 0 FCAELP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C[C@H]1C(F)(F)F ZINC000903732443 675965085 /nfs/dbraw/zinc/96/50/85/675965085.db2.gz SWZHMEIIGGJWTQ-GHMZBOCLSA-N 2 2 359.352 0.464 10 0 FCAELP 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1193972718 /nfs/dbraw/zinc/97/27/18/1193972718.db2.gz WPWAQJRVOQSHLW-ZWKOTPCHSA-N 2 2 367.538 0.519 10 0 FCAELP C[C@H]1COCC[NH+]1CCNC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000553114865 1193972721 /nfs/dbraw/zinc/97/27/21/1193972721.db2.gz WPWAQJRVOQSHLW-ZWKOTPCHSA-N 2 2 367.538 0.519 10 0 FCAELP O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccn1CC[NH+]1CCOCC1 ZINC000907067429 1195678672 /nfs/dbraw/zinc/67/86/72/1195678672.db2.gz GMKRDKHDWCRJFK-KRWDZBQOSA-N 2 2 364.490 0.397 10 0 FCAELP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000592182644 1196541289 /nfs/dbraw/zinc/54/12/89/1196541289.db2.gz NDOYYCPYCQKJII-MRXNPFEDSA-N 2 2 367.490 0.585 10 0 FCAELP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000592182644 1196541291 /nfs/dbraw/zinc/54/12/91/1196541291.db2.gz NDOYYCPYCQKJII-MRXNPFEDSA-N 2 2 367.490 0.585 10 0 FCAELP O=C(NC[C@H](O)C[NH2+]Cc1ccc2nonc2c1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001272442799 1197080607 /nfs/dbraw/zinc/08/06/07/1197080607.db2.gz ICZDZTHALIBXDV-JHJVBQTASA-N 2 2 356.386 0.316 10 0 FCAELP O=C(NC[C@H](O)C[NH2+]Cc1ccc2nonc2c1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001272442799 1197080611 /nfs/dbraw/zinc/08/06/11/1197080611.db2.gz ICZDZTHALIBXDV-JHJVBQTASA-N 2 2 356.386 0.316 10 0 FCAELP O=C(NC[C@H](O)C[NH2+]CCc1ccc2c(c1)CCO2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001272443386 1197080689 /nfs/dbraw/zinc/08/06/89/1197080689.db2.gz MWZWZYAGXNCIPV-BRWVUGGUSA-N 2 2 370.453 0.758 10 0 FCAELP O=C(NC[C@H](O)C[NH2+]CCc1ccc2c(c1)CCO2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001272443386 1197080693 /nfs/dbraw/zinc/08/06/93/1197080693.db2.gz MWZWZYAGXNCIPV-BRWVUGGUSA-N 2 2 370.453 0.758 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CO[NH+]=C(N)Cc2cccnc2)C1 ZINC000771673997 1200626826 /nfs/dbraw/zinc/62/68/26/1200626826.db2.gz JSLGIIMUQNXFAK-INIZCTEOSA-N 2 2 363.462 0.596 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CO[NH+]=C(N)Cc2cccnc2)C1 ZINC000771673997 1200626844 /nfs/dbraw/zinc/62/68/44/1200626844.db2.gz JSLGIIMUQNXFAK-INIZCTEOSA-N 2 2 363.462 0.596 10 0 FCAELP CNC(=O)N[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001176112676 1206310395 /nfs/dbraw/zinc/31/03/95/1206310395.db2.gz AFLIOUDFTCTZIL-INIZCTEOSA-N 2 2 374.489 0.514 10 0 FCAELP CNC(=O)N[C@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001176112676 1206310400 /nfs/dbraw/zinc/31/04/00/1206310400.db2.gz AFLIOUDFTCTZIL-INIZCTEOSA-N 2 2 374.489 0.514 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)ccc2[nH+]1 ZINC000774249688 1206430400 /nfs/dbraw/zinc/43/04/00/1206430400.db2.gz DDWRRYMAAPKVNG-LSDHHAIUSA-N 2 2 357.414 0.561 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)ccc2[nH+]1 ZINC000774249688 1206430402 /nfs/dbraw/zinc/43/04/02/1206430402.db2.gz DDWRRYMAAPKVNG-LSDHHAIUSA-N 2 2 357.414 0.561 10 0 FCAELP CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1OCC ZINC001489010269 1208605206 /nfs/dbraw/zinc/60/52/06/1208605206.db2.gz CNCYVJHJPPBJSF-BRWVUGGUSA-N 2 2 364.490 0.935 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC001489144776 1208644458 /nfs/dbraw/zinc/64/44/58/1208644458.db2.gz HBQRJBQTMIMTPS-LSDHHAIUSA-N 2 2 365.478 0.040 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC001489144776 1208644463 /nfs/dbraw/zinc/64/44/63/1208644463.db2.gz HBQRJBQTMIMTPS-LSDHHAIUSA-N 2 2 365.478 0.040 10 0 FCAELP COCCC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001489160627 1208646704 /nfs/dbraw/zinc/64/67/04/1208646704.db2.gz KXFGAIIBQICGSN-BZUAXINKSA-N 2 2 350.463 0.835 10 0 FCAELP COCCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001489160627 1208646710 /nfs/dbraw/zinc/64/67/10/1208646710.db2.gz KXFGAIIBQICGSN-BZUAXINKSA-N 2 2 350.463 0.835 10 0 FCAELP COCCC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001489160627 1208646715 /nfs/dbraw/zinc/64/67/15/1208646715.db2.gz KXFGAIIBQICGSN-BZUAXINKSA-N 2 2 350.463 0.835 10 0 FCAELP 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C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001489480088 1208858431 /nfs/dbraw/zinc/85/84/31/1208858431.db2.gz OTHPLESNSGIICH-BZUAXINKSA-N 2 2 361.490 0.658 10 0 FCAELP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001489480088 1208858433 /nfs/dbraw/zinc/85/84/33/1208858433.db2.gz OTHPLESNSGIICH-BZUAXINKSA-N 2 2 361.490 0.658 10 0 FCAELP CN(C[C@@H]1CCN1C(=O)CCC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001489787394 1209096383 /nfs/dbraw/zinc/09/63/83/1209096383.db2.gz BLNVMNCSSQAZSK-ARFHVFGLSA-N 2 2 361.490 0.925 10 0 FCAELP CN(C[C@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(=O)C1(C[NH+](C)C)CC1 ZINC001489780054 1209096587 /nfs/dbraw/zinc/09/65/87/1209096587.db2.gz XSQRQLHIZGZMDR-RBSFLKMASA-N 2 2 359.474 0.914 10 0 FCAELP CN(C[C@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(=O)C1(C[NH+](C)C)CC1 ZINC001489780054 1209096590 /nfs/dbraw/zinc/09/65/90/1209096590.db2.gz XSQRQLHIZGZMDR-RBSFLKMASA-N 2 2 359.474 0.914 10 0 FCAELP C[NH+](C)CCC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001489903755 1209145566 /nfs/dbraw/zinc/14/55/66/1209145566.db2.gz PNPQLJRRDHLECO-ARFHVFGLSA-N 2 2 361.490 0.798 10 0 FCAELP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001489926480 1209158271 /nfs/dbraw/zinc/15/82/71/1209158271.db2.gz SYIBHRMNACAWGZ-RBSFLKMASA-N 2 2 363.462 0.026 10 0 FCAELP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001489926480 1209158272 /nfs/dbraw/zinc/15/82/72/1209158272.db2.gz SYIBHRMNACAWGZ-RBSFLKMASA-N 2 2 363.462 0.026 10 0 FCAELP CC[NH+](CC)Cc1nc(C2(NC(=O)C3=NO[C@@H](C[NH3+])C3)CCCC2)no1 ZINC000852863164 1209568292 /nfs/dbraw/zinc/56/82/92/1209568292.db2.gz RMXCOJHFNSXSJH-GFCCVEGCSA-N 2 2 364.450 0.901 10 0 FCAELP [NH3+]C[C@H]1CC(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)=NO1 ZINC000852857326 1209568402 /nfs/dbraw/zinc/56/84/02/1209568402.db2.gz PMILRLJUGUQKHJ-OAHLLOKOSA-N 2 2 359.430 0.309 10 0 FCAELP CCN1CC[NH+](Cc2ccccc2CNC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852872729 1209571619 /nfs/dbraw/zinc/57/16/19/1209571619.db2.gz KXXWKDGKYYRHPQ-KRWDZBQOSA-N 2 2 359.474 0.544 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1cn(-c2ccccc2)nn1 ZINC000853842232 1209607106 /nfs/dbraw/zinc/60/71/06/1209607106.db2.gz CMZZJIIBESCRFM-UHFFFAOYSA-N 2 2 359.478 0.950 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1cn(-c2ccccc2)nn1 ZINC000853842232 1209607109 /nfs/dbraw/zinc/60/71/09/1209607109.db2.gz CMZZJIIBESCRFM-UHFFFAOYSA-N 2 2 359.478 0.950 10 0 FCAELP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@@H]4COC(=O)[C@@H]4C3)CC2)c1 ZINC000860156482 1209840773 /nfs/dbraw/zinc/84/07/73/1209840773.db2.gz BUJZFCHTPCQBME-QZTJIDSGSA-N 2 2 357.454 0.744 10 0 FCAELP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@@H]4COC(=O)[C@@H]4C3)CC2)c1 ZINC000860156482 1209840774 /nfs/dbraw/zinc/84/07/74/1209840774.db2.gz BUJZFCHTPCQBME-QZTJIDSGSA-N 2 2 357.454 0.744 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1CN(C(=O)CN2c3ccccc3OCC2=O)C[C@H]1[NH3+] ZINC000864353240 1209958470 /nfs/dbraw/zinc/95/84/70/1209958470.db2.gz GDHOPVOEQCUIBS-CHWSQXEVSA-N 2 2 355.398 0.099 10 0 FCAELP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000867510243 1210009855 /nfs/dbraw/zinc/00/98/55/1210009855.db2.gz IAQQLPBKQVVROS-SJORKVTESA-N 2 2 366.506 0.108 10 0 FCAELP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000867510243 1210009859 /nfs/dbraw/zinc/00/98/59/1210009859.db2.gz IAQQLPBKQVVROS-SJORKVTESA-N 2 2 366.506 0.108 10 0 FCAELP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)C[C@@H]1n1cc[nH+]c1 ZINC000867578542 1210015170 /nfs/dbraw/zinc/01/51/70/1210015170.db2.gz QBWHWPYEKJDMPW-VQHPVUNQSA-N 2 2 359.474 0.845 10 0 FCAELP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)C[C@@H]1n1cc[nH+]c1 ZINC000867578542 1210015174 /nfs/dbraw/zinc/01/51/74/1210015174.db2.gz QBWHWPYEKJDMPW-VQHPVUNQSA-N 2 2 359.474 0.845 10 0 FCAELP COC(=O)[C@@H]1CO[C@H](CCC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000874468650 1210314902 /nfs/dbraw/zinc/31/49/02/1210314902.db2.gz NBDBTTZUSGFZDA-DOTOQJQBSA-N 2 2 369.506 0.829 10 0 FCAELP COC(=O)[C@@H]1CO[C@H](CCC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000874468650 1210314908 /nfs/dbraw/zinc/31/49/08/1210314908.db2.gz NBDBTTZUSGFZDA-DOTOQJQBSA-N 2 2 369.506 0.829 10 0 FCAELP C[NH+]1CCC(CN2C(=O)[C@H]3[C@@H](O)CCCN3C2=O)([NH+]2CCCCC2)CC1 ZINC000925328499 1211496208 /nfs/dbraw/zinc/49/62/08/1211496208.db2.gz YLTPXAVTOYGAOR-JKSUJKDBSA-N 2 2 364.490 0.724 10 0 FCAELP CC[C@H](C[NH+]1CCOCC1)NC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000925609223 1211504982 /nfs/dbraw/zinc/50/49/82/1211504982.db2.gz QSNMZMSPVMETTK-QGZVFWFLSA-N 2 2 368.522 0.851 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)N[C@@H]3C[NH2+]CC4(CCOCC4)C3)ccc2[nH+]1 ZINC000927822275 1211583689 /nfs/dbraw/zinc/58/36/89/1211583689.db2.gz RQJINHAOFKTZCD-HNNXBMFYSA-N 2 2 371.441 0.856 10 0 FCAELP Cc1ccccc1C[NH+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000931131687 1211741301 /nfs/dbraw/zinc/74/13/01/1211741301.db2.gz LJVRNNKTIAILPZ-ROUUACIJSA-N 2 2 374.485 0.132 10 0 FCAELP Cc1ccccc1C[NH+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000931131687 1211741304 /nfs/dbraw/zinc/74/13/04/1211741304.db2.gz LJVRNNKTIAILPZ-ROUUACIJSA-N 2 2 374.485 0.132 10 0 FCAELP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000931131687 1211741306 /nfs/dbraw/zinc/74/13/06/1211741306.db2.gz LJVRNNKTIAILPZ-ROUUACIJSA-N 2 2 374.485 0.132 10 0 FCAELP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000931131687 1211741309 /nfs/dbraw/zinc/74/13/09/1211741309.db2.gz LJVRNNKTIAILPZ-ROUUACIJSA-N 2 2 374.485 0.132 10 0 FCAELP CCN(C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)C1CC1 ZINC001490842416 1211957008 /nfs/dbraw/zinc/95/70/08/1211957008.db2.gz MOAOCKMPDXZVJT-NUEKZKHPSA-N 2 2 359.474 0.725 10 0 FCAELP CCC[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1[nH+]ccn1C)C2 ZINC001490847611 1212236718 /nfs/dbraw/zinc/23/67/18/1212236718.db2.gz XUIFNLPQSWSXPX-OAGGEKHMSA-N 2 2 361.490 0.943 10 0 FCAELP CCC[N@@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1[nH+]ccn1C)C2 ZINC001490847611 1212236721 /nfs/dbraw/zinc/23/67/21/1212236721.db2.gz XUIFNLPQSWSXPX-OAGGEKHMSA-N 2 2 361.490 0.943 10 0 FCAELP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000638051279 1213048273 /nfs/dbraw/zinc/04/82/73/1213048273.db2.gz DSVUWSMFPNTUFY-RTBURBONSA-N 2 2 360.502 0.769 10 0 FCAELP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000638051279 1213048274 /nfs/dbraw/zinc/04/82/74/1213048274.db2.gz DSVUWSMFPNTUFY-RTBURBONSA-N 2 2 360.502 0.769 10 0 FCAELP C/C(=C/C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)C[NH+]1CCOCC1 ZINC000900504501 1218000234 /nfs/dbraw/zinc/00/02/34/1218000234.db2.gz MMEOHWDGCCPWHA-AKMXKPQHSA-N 2 2 364.490 0.206 10 0 FCAELP C/C(=C/C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1)C[NH+]1CCOCC1 ZINC000900504501 1218000239 /nfs/dbraw/zinc/00/02/39/1218000239.db2.gz MMEOHWDGCCPWHA-AKMXKPQHSA-N 2 2 364.490 0.206 10 0 FCAELP C[C@@H]1CO[C@@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000900606976 1218012229 /nfs/dbraw/zinc/01/22/29/1218012229.db2.gz WPUIEIYZFUDKDK-DOTOQJQBSA-N 2 2 366.506 0.108 10 0 FCAELP C/C(=C\C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C[NH+]1CCOCC1 ZINC000901105674 1218081101 /nfs/dbraw/zinc/08/11/01/1218081101.db2.gz JPVHBDYHXMPFKZ-FYPAKXHLSA-N 2 2 364.490 0.030 10 0 FCAELP C/C(=C\C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C[NH+]1CCOCC1 ZINC000901105674 1218081107 /nfs/dbraw/zinc/08/11/07/1218081107.db2.gz JPVHBDYHXMPFKZ-FYPAKXHLSA-N 2 2 364.490 0.030 10 0 FCAELP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1C(F)(F)F ZINC000903713812 1218504517 /nfs/dbraw/zinc/50/45/17/1218504517.db2.gz CIWVGVIASMKKKQ-VXGBXAGGSA-N 2 2 371.363 0.078 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C[C@H]1CC[NH3+] ZINC000903737529 1218511473 /nfs/dbraw/zinc/51/14/73/1218511473.db2.gz OTJCSPMRVUFIHD-BRWVUGGUSA-N 2 2 366.506 0.143 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)C[C@H]1CC[NH3+] ZINC000903772220 1218521727 /nfs/dbraw/zinc/52/17/27/1218521727.db2.gz XLMYOMGOYRZFHS-QRQLOZEOSA-N 2 2 372.513 0.815 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)C[C@H]1CC[NH3+] ZINC000903772220 1218521731 /nfs/dbraw/zinc/52/17/31/1218521731.db2.gz XLMYOMGOYRZFHS-QRQLOZEOSA-N 2 2 372.513 0.815 10 0 FCAELP O=C(N[C@@H]1[C@H]2C[N@H+](CCOC[C@H]3CCCO3)C[C@H]21)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001491317832 1220110575 /nfs/dbraw/zinc/11/05/75/1220110575.db2.gz NRMLOMJXQXAOEG-OAEZHTQQSA-N 2 2 360.458 0.755 10 0 FCAELP O=C(N[C@@H]1[C@H]2C[N@@H+](CCOC[C@H]3CCCO3)C[C@H]21)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001491317832 1220110588 /nfs/dbraw/zinc/11/05/88/1220110588.db2.gz NRMLOMJXQXAOEG-OAEZHTQQSA-N 2 2 360.458 0.755 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCOCC3CCC3)C2)CC1 ZINC001118130234 1221716673 /nfs/dbraw/zinc/71/66/73/1221716673.db2.gz SSCKKUYTOFSKTG-MRXNPFEDSA-N 2 2 366.506 0.204 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCOCC3CCC3)C2)CC1 ZINC001118130234 1221716677 /nfs/dbraw/zinc/71/66/77/1221716677.db2.gz SSCKKUYTOFSKTG-MRXNPFEDSA-N 2 2 366.506 0.204 10 0 FCAELP Cn1cnc(CCCNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC001118183501 1221728487 /nfs/dbraw/zinc/72/84/87/1221728487.db2.gz SDRDPRXQJVKYMK-UHFFFAOYSA-N 2 2 363.510 0.606 10 0 FCAELP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)[C@H]1CN(C)CC[NH+]1C ZINC001119454751 1221918959 /nfs/dbraw/zinc/91/89/59/1221918959.db2.gz MQXZQHIRRUIPQY-DZOHQFGASA-N 2 2 362.522 0.206 10 0 FCAELP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)[C@H]1CN(C)CC[NH+]1C ZINC001119454751 1221918961 /nfs/dbraw/zinc/91/89/61/1221918961.db2.gz MQXZQHIRRUIPQY-DZOHQFGASA-N 2 2 362.522 0.206 10 0 FCAELP C[C@H](NC(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1)[C@H]1CN(C)CC[N@@H+]1C ZINC001119454751 1221918963 /nfs/dbraw/zinc/91/89/63/1221918963.db2.gz MQXZQHIRRUIPQY-DZOHQFGASA-N 2 2 362.522 0.206 10 0 FCAELP C[C@H](NC(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1)[C@H]1CN(C)CC[N@H+]1C ZINC001119454751 1221918965 /nfs/dbraw/zinc/91/89/65/1221918965.db2.gz MQXZQHIRRUIPQY-DZOHQFGASA-N 2 2 362.522 0.206 10 0 FCAELP C[NH+](C)[C@]1(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)COc2ccccc2C1 ZINC001123778789 1222356745 /nfs/dbraw/zinc/35/67/45/1222356745.db2.gz AFUNFQIEWAJAJF-ZWOKBUDYSA-N 2 2 359.470 0.589 10 0 FCAELP C[NH+](C)[C@]1(C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)COc2ccccc2C1 ZINC001123778789 1222356748 /nfs/dbraw/zinc/35/67/48/1222356748.db2.gz AFUNFQIEWAJAJF-ZWOKBUDYSA-N 2 2 359.470 0.589 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC000847455686 1245338286 /nfs/dbraw/zinc/33/82/86/1245338286.db2.gz BFZAZQLYZMYUNX-INIZCTEOSA-N 2 2 367.494 0.637 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC000847455686 1245338291 /nfs/dbraw/zinc/33/82/91/1245338291.db2.gz BFZAZQLYZMYUNX-INIZCTEOSA-N 2 2 367.494 0.637 10 0 FCAELP CC(C)N1CC[NH+](C2CCN(C(=O)C3C[NH+]([C@H]4CCOC4)C3)CC2)CC1 ZINC000897250247 1245469437 /nfs/dbraw/zinc/46/94/37/1245469437.db2.gz ZXULMVWBWIDIKQ-IBGZPJMESA-N 2 2 364.534 0.724 10 0 FCAELP CC(C)[NH+]1CCN(C2CCN(C(=O)C3C[NH+]([C@H]4CCOC4)C3)CC2)CC1 ZINC000897250247 1245469439 /nfs/dbraw/zinc/46/94/39/1245469439.db2.gz ZXULMVWBWIDIKQ-IBGZPJMESA-N 2 2 364.534 0.724 10 0 FCAELP C/C(=C\C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)C[NH+]1CCOCC1 ZINC000901273107 1245475829 /nfs/dbraw/zinc/47/58/29/1245475829.db2.gz OUZPDRJVCKGCEZ-KHCHXBIHSA-N 2 2 364.534 0.749 10 0 FCAELP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001327819441 1265435157 /nfs/dbraw/zinc/43/51/57/1265435157.db2.gz RBEDPPFNGAYRMA-OAHLLOKOSA-N 2 2 362.478 0.488 10 0 FCAELP C[C@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)[NH+]1CCN(C)CC1 ZINC001519686035 1265750637 /nfs/dbraw/zinc/75/06/37/1265750637.db2.gz CTFSVWHMCVMWKB-WBVHZDCISA-N 2 2 353.511 0.175 10 0 FCAELP C[C@H](CNC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1)[NH+]1CCN(C)CC1 ZINC001519686035 1265750644 /nfs/dbraw/zinc/75/06/44/1265750644.db2.gz CTFSVWHMCVMWKB-WBVHZDCISA-N 2 2 353.511 0.175 10 0 FCAELP C[C@@H](C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)n1cc[nH+]c1 ZINC001329949719 1265903995 /nfs/dbraw/zinc/90/39/95/1265903995.db2.gz GQQRNODSXPOQSY-GJZGRUSLSA-N 2 2 357.462 0.983 10 0 FCAELP C[C@H](C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)n1cc[nH+]c1 ZINC001329949720 1265904464 /nfs/dbraw/zinc/90/44/64/1265904464.db2.gz GQQRNODSXPOQSY-HUUCEWRRSA-N 2 2 357.462 0.983 10 0 FCAELP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001330510635 1266045304 /nfs/dbraw/zinc/04/53/04/1266045304.db2.gz UBHQHCJDPKZQTO-HZPDHXFCSA-N 2 2 369.425 0.614 10 0 FCAELP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001521956946 1266258039 /nfs/dbraw/zinc/25/80/39/1266258039.db2.gz JODITBPZGGBWCW-FXUDXRNXSA-N 2 2 361.490 0.893 10 0 FCAELP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001521956946 1266258048 /nfs/dbraw/zinc/25/80/48/1266258048.db2.gz JODITBPZGGBWCW-FXUDXRNXSA-N 2 2 361.490 0.893 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cn([C@@H]4CC[C@H]4O)nn3)CC2)CC1 ZINC001331922764 1266305762 /nfs/dbraw/zinc/30/57/62/1266305762.db2.gz NJTQHDMSDZGDMM-IAGOWNOFSA-N 2 2 362.478 0.262 10 0 FCAELP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)C(=O)N1CCC[NH+]2CCC[C@H]2C1 ZINC001331949685 1266309364 /nfs/dbraw/zinc/30/93/64/1266309364.db2.gz HIYAYPAJMNESHY-FUHWJXTLSA-N 2 2 356.470 0.986 10 0 FCAELP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)C(=O)N1CCC[NH+]2CCC[C@H]2C1 ZINC001331949685 1266309377 /nfs/dbraw/zinc/30/93/77/1266309377.db2.gz HIYAYPAJMNESHY-FUHWJXTLSA-N 2 2 356.470 0.986 10 0 FCAELP C[NH+]1Cc2ccccc2[C@H]1CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001331949685 1266309390 /nfs/dbraw/zinc/30/93/90/1266309390.db2.gz HIYAYPAJMNESHY-FUHWJXTLSA-N 2 2 356.470 0.986 10 0 FCAELP C[NH+]1Cc2ccccc2[C@H]1CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001331949685 1266309405 /nfs/dbraw/zinc/30/94/05/1266309405.db2.gz HIYAYPAJMNESHY-FUHWJXTLSA-N 2 2 356.470 0.986 10 0 FCAELP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(F)cc1 ZINC001262126795 1260264249 /nfs/dbraw/zinc/26/42/49/1260264249.db2.gz PXFKBOYHYPLQGX-IKGGRYGDSA-N 2 2 362.449 0.898 10 0 FCAELP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(F)cc1 ZINC001262126795 1260264254 /nfs/dbraw/zinc/26/42/54/1260264254.db2.gz PXFKBOYHYPLQGX-IKGGRYGDSA-N 2 2 362.449 0.898 10 0 FCAELP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001262126795 1260264260 /nfs/dbraw/zinc/26/42/60/1260264260.db2.gz PXFKBOYHYPLQGX-IKGGRYGDSA-N 2 2 362.449 0.898 10 0 FCAELP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001262126795 1260264266 /nfs/dbraw/zinc/26/42/66/1260264266.db2.gz PXFKBOYHYPLQGX-IKGGRYGDSA-N 2 2 362.449 0.898 10 0 FCAELP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)C[C@]2(C)C1 ZINC001262271486 1260292189 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C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H](C[NH2+]CCNC(=O)C2CC2)C1 ZINC001316707861 1263432303 /nfs/dbraw/zinc/43/23/03/1263432303.db2.gz INDOAIHDMDKZNU-PBHICJAKSA-N 2 2 361.490 0.706 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1CC(=O)NCCCOC ZINC001316735531 1263443335 /nfs/dbraw/zinc/44/33/35/1263443335.db2.gz MMKLURPDAFTLSM-BBWFWOEESA-N 2 2 368.522 0.593 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1CC(=O)NCCCOC ZINC001316735531 1263443341 /nfs/dbraw/zinc/44/33/41/1263443341.db2.gz MMKLURPDAFTLSM-BBWFWOEESA-N 2 2 368.522 0.593 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1CC(=O)NCCCOC ZINC001316735531 1263443347 /nfs/dbraw/zinc/44/33/47/1263443347.db2.gz MMKLURPDAFTLSM-BBWFWOEESA-N 2 2 368.522 0.593 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1CC(=O)NCCCOC ZINC001316735531 1263443360 /nfs/dbraw/zinc/44/33/60/1263443360.db2.gz MMKLURPDAFTLSM-BBWFWOEESA-N 2 2 368.522 0.593 10 0 FCAELP COC[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001483755168 1263446238 /nfs/dbraw/zinc/44/62/38/1263446238.db2.gz PMTNSAXJWYAZJA-XHSDSOJGSA-N 2 2 355.479 0.140 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC[N@@H+]1CC(=O)NC(=O)NC ZINC001316742203 1263449599 /nfs/dbraw/zinc/44/95/99/1263449599.db2.gz LREJVRPPJPFVIV-ZNMIVQPWSA-N 2 2 367.494 0.286 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC[N@H+]1CC(=O)NC(=O)NC ZINC001316742203 1263449602 /nfs/dbraw/zinc/44/96/02/1263449602.db2.gz LREJVRPPJPFVIV-ZNMIVQPWSA-N 2 2 367.494 0.286 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC[NH+]1CC(=O)NC(=O)NC ZINC001316742203 1263449608 /nfs/dbraw/zinc/44/96/08/1263449608.db2.gz LREJVRPPJPFVIV-ZNMIVQPWSA-N 2 2 367.494 0.286 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC[NH+]1CC(=O)NC(=O)NC ZINC001316742203 1263449613 /nfs/dbraw/zinc/44/96/13/1263449613.db2.gz LREJVRPPJPFVIV-ZNMIVQPWSA-N 2 2 367.494 0.286 10 0 FCAELP CC(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CCO1 ZINC001484683675 1263483116 /nfs/dbraw/zinc/48/31/16/1263483116.db2.gz IACROOJOBGFLEI-KURKYZTESA-N 2 2 369.506 0.339 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N2CCC[C@](CO)([NH2+]Cc3nnc(C)o3)C2)CC[N@@H+]1C ZINC001484840468 1263488164 /nfs/dbraw/zinc/48/81/64/1263488164.db2.gz AGWKTXZQXSBOIG-DAYGRLMNSA-N 2 2 365.478 0.551 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N2CCC[C@](CO)([NH2+]Cc3nnc(C)o3)C2)CC[N@H+]1C ZINC001484840468 1263488171 /nfs/dbraw/zinc/48/81/71/1263488171.db2.gz AGWKTXZQXSBOIG-DAYGRLMNSA-N 2 2 365.478 0.551 10 0 FCAELP CCN(C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H]1C)C1CC1 ZINC001316799104 1263489360 /nfs/dbraw/zinc/48/93/60/1263489360.db2.gz LIWURTIKZZPBGR-PVAVHDDUSA-N 2 2 366.506 0.297 10 0 FCAELP CCN(C(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H]1C)C1CC1 ZINC001316799104 1263489362 /nfs/dbraw/zinc/48/93/62/1263489362.db2.gz LIWURTIKZZPBGR-PVAVHDDUSA-N 2 2 366.506 0.297 10 0 FCAELP CCN(C(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H]1C)C1CC1 ZINC001316799104 1263489366 /nfs/dbraw/zinc/48/93/66/1263489366.db2.gz LIWURTIKZZPBGR-PVAVHDDUSA-N 2 2 366.506 0.297 10 0 FCAELP CCN(C(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H]1C)C1CC1 ZINC001316799104 1263489369 /nfs/dbraw/zinc/48/93/69/1263489369.db2.gz LIWURTIKZZPBGR-PVAVHDDUSA-N 2 2 366.506 0.297 10 0 FCAELP CCN(C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1C)C1CC1 ZINC001316799103 1263489531 /nfs/dbraw/zinc/48/95/31/1263489531.db2.gz LIWURTIKZZPBGR-HYVNUMGLSA-N 2 2 366.506 0.297 10 0 FCAELP CCN(C(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1C)C1CC1 ZINC001316799103 1263489535 /nfs/dbraw/zinc/48/95/35/1263489535.db2.gz LIWURTIKZZPBGR-HYVNUMGLSA-N 2 2 366.506 0.297 10 0 FCAELP CCN(C(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H]1C)C1CC1 ZINC001316799103 1263489536 /nfs/dbraw/zinc/48/95/36/1263489536.db2.gz LIWURTIKZZPBGR-HYVNUMGLSA-N 2 2 366.506 0.297 10 0 FCAELP CCN(C(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H]1C)C1CC1 ZINC001316799103 1263489538 /nfs/dbraw/zinc/48/95/38/1263489538.db2.gz LIWURTIKZZPBGR-HYVNUMGLSA-N 2 2 366.506 0.297 10 0 FCAELP CN(CC(C)(C)C[NH2+]CCn1cncn1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001485261321 1263499472 /nfs/dbraw/zinc/49/94/72/1263499472.db2.gz FNSWWCIEGTVKPB-HUUCEWRRSA-N 2 2 359.478 0.890 10 0 FCAELP COCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001317187921 1263504258 /nfs/dbraw/zinc/50/42/58/1263504258.db2.gz LRXLNTJLXMDNGS-KSZLIROESA-N 2 2 369.506 0.483 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCc2ccco2)C1 ZINC001317305768 1263509367 /nfs/dbraw/zinc/50/93/67/1263509367.db2.gz MBINYLMUEYETHC-NUEKZKHPSA-N 2 2 371.441 0.624 10 0 FCAELP COC[C@@H](O)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@]2(C)C1 ZINC001485668377 1263511841 /nfs/dbraw/zinc/51/18/41/1263511841.db2.gz PJQTUTNKBIPFNQ-DPMWRWFOSA-N 2 2 362.474 0.691 10 0 FCAELP COC[C@@H](O)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@]2(C)C1 ZINC001485668377 1263511852 /nfs/dbraw/zinc/51/18/52/1263511852.db2.gz PJQTUTNKBIPFNQ-DPMWRWFOSA-N 2 2 362.474 0.691 10 0 FCAELP COC[C@@H](O)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC001485668377 1263511859 /nfs/dbraw/zinc/51/18/59/1263511859.db2.gz PJQTUTNKBIPFNQ-DPMWRWFOSA-N 2 2 362.474 0.691 10 0 FCAELP COC[C@@H](O)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC001485668377 1263511866 /nfs/dbraw/zinc/51/18/66/1263511866.db2.gz PJQTUTNKBIPFNQ-DPMWRWFOSA-N 2 2 362.474 0.691 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2ncc(Cl)n2C)CC[N@@H+]1C ZINC001485997512 1263522361 /nfs/dbraw/zinc/52/23/61/1263522361.db2.gz YUCIOGNUWUBRJN-FRRDWIJNSA-N 2 2 357.886 0.371 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2ncc(Cl)n2C)CC[N@H+]1C ZINC001485997512 1263522363 /nfs/dbraw/zinc/52/23/63/1263522363.db2.gz YUCIOGNUWUBRJN-FRRDWIJNSA-N 2 2 357.886 0.371 10 0 FCAELP CCCc1noc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001486278249 1263528383 /nfs/dbraw/zinc/52/83/83/1263528383.db2.gz MTLHNDHZUDGWDS-HZSPNIEDSA-N 2 2 353.467 0.271 10 0 FCAELP CCCc1noc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001486278249 1263528390 /nfs/dbraw/zinc/52/83/90/1263528390.db2.gz MTLHNDHZUDGWDS-HZSPNIEDSA-N 2 2 353.467 0.271 10 0 FCAELP Cc1nc(C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)oc1C ZINC001486336823 1263533085 /nfs/dbraw/zinc/53/30/85/1263533085.db2.gz DVFULVVONPLFHA-FVQBIDKESA-N 2 2 352.479 0.883 10 0 FCAELP Cc1nc(C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)oc1C ZINC001486336823 1263533088 /nfs/dbraw/zinc/53/30/88/1263533088.db2.gz DVFULVVONPLFHA-FVQBIDKESA-N 2 2 352.479 0.883 10 0 FCAELP Cc1nc(C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)oc1C ZINC001486336823 1263533093 /nfs/dbraw/zinc/53/30/93/1263533093.db2.gz DVFULVVONPLFHA-FVQBIDKESA-N 2 2 352.479 0.883 10 0 FCAELP Cc1nc(C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)oc1C ZINC001486336823 1263533100 /nfs/dbraw/zinc/53/31/00/1263533100.db2.gz DVFULVVONPLFHA-FVQBIDKESA-N 2 2 352.479 0.883 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCCCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[N@@H+]1C ZINC001491719912 1263616632 /nfs/dbraw/zinc/61/66/32/1263616632.db2.gz NVXXMPRCDNNYBV-HYVNUMGLSA-N 2 2 361.490 0.798 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCCCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[N@H+]1C ZINC001491719912 1263616636 /nfs/dbraw/zinc/61/66/36/1263616636.db2.gz NVXXMPRCDNNYBV-HYVNUMGLSA-N 2 2 361.490 0.798 10 0 FCAELP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]Cc1nnnn1C1CC1 ZINC001492085143 1263637128 /nfs/dbraw/zinc/63/71/28/1263637128.db2.gz LEQFNDDBGJVILU-IACUBPJLSA-N 2 2 358.450 0.530 10 0 FCAELP CN(C(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC001319111482 1263653698 /nfs/dbraw/zinc/65/36/98/1263653698.db2.gz HEWSWJQONDGPRT-BZUAXINKSA-N 2 2 359.474 0.725 10 0 FCAELP Cc1c[nH+]cn1CC(=O)NC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC001493619306 1263732362 /nfs/dbraw/zinc/73/23/62/1263732362.db2.gz CLPZGGSXINFIOV-BZUAXINKSA-N 2 2 370.457 0.740 10 0 FCAELP CCCNC(=O)NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001494550604 1263772915 /nfs/dbraw/zinc/77/29/15/1263772915.db2.gz LWOZKULGOMDGGG-LSDHHAIUSA-N 2 2 367.494 0.001 10 0 FCAELP CCCNC(=O)NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001494550604 1263772918 /nfs/dbraw/zinc/77/29/18/1263772918.db2.gz LWOZKULGOMDGGG-LSDHHAIUSA-N 2 2 367.494 0.001 10 0 FCAELP COC[C@@H](O)C[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001495430186 1263819036 /nfs/dbraw/zinc/81/90/36/1263819036.db2.gz FRWPKGVWTXHKKY-GVDBMIGSSA-N 2 2 364.490 0.749 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(CCO)CC[NH2+]Cc2nn(C)cc2Cl)CC[N@@H+]1C ZINC001501459137 1264122971 /nfs/dbraw/zinc/12/29/71/1264122971.db2.gz CUMDZVNGEOSTHV-XJKSGUPXSA-N 2 2 371.913 0.714 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(CCO)CC[NH2+]Cc2nn(C)cc2Cl)CC[N@H+]1C ZINC001501459137 1264122978 /nfs/dbraw/zinc/12/29/78/1264122978.db2.gz CUMDZVNGEOSTHV-XJKSGUPXSA-N 2 2 371.913 0.714 10 0 FCAELP COC[C@@H](C)[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCOCC1 ZINC001502635271 1264180454 /nfs/dbraw/zinc/18/04/54/1264180454.db2.gz ILMDQCKITGSEOE-RBSFLKMASA-N 2 2 350.463 0.814 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC001322780128 1264263155 /nfs/dbraw/zinc/26/31/55/1264263155.db2.gz JHBDJBWMWHRIEO-NZSAHSFTSA-N 2 2 370.497 0.943 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC001322780128 1264263159 /nfs/dbraw/zinc/26/31/59/1264263159.db2.gz JHBDJBWMWHRIEO-NZSAHSFTSA-N 2 2 370.497 0.943 10 0 FCAELP Cn1cc(CC[NH2+]C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C2CC2)cn1 ZINC001323075307 1264332192 /nfs/dbraw/zinc/33/21/92/1264332192.db2.gz DGJWMPPRZIQHOV-BRWVUGGUSA-N 2 2 356.474 0.984 10 0 FCAELP 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CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](CC)CC(=O)Nc2nncs2)CC[NH+]1C ZINC001317478397 867537047 /nfs/dbraw/zinc/53/70/47/867537047.db2.gz IUWIIOVVJULYMF-QWHCGFSZSA-N 2 2 368.507 0.645 10 0 FCAELP CN(CC[NH+]1CCN(C(=O)CC[NH+](C)C)CC1)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001356699874 868042372 /nfs/dbraw/zinc/04/23/72/868042372.db2.gz WPDYJPGZCFFXNK-DLBZAZTESA-N 2 2 350.507 0.587 10 0 FCAELP O=C(NCC1([NH2+]CC[C@@H]2CCS(=O)(=O)C2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001323469869 869206236 /nfs/dbraw/zinc/20/62/36/869206236.db2.gz YRQDIGXGFOIZEA-MGPQQGTHSA-N 2 2 366.487 0.576 10 0 FCAELP O=C(NCC1([NH2+]CC[C@@H]2CCS(=O)(=O)C2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001323469869 869206245 /nfs/dbraw/zinc/20/62/45/869206245.db2.gz YRQDIGXGFOIZEA-MGPQQGTHSA-N 2 2 366.487 0.576 10 0 FCAELP Cc1cc(C[NH2+]CCN(CCO)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)sn1 ZINC001326097041 870165744 /nfs/dbraw/zinc/16/57/44/870165744.db2.gz VTDTVDPZBBVRDA-HUUCEWRRSA-N 2 2 363.487 0.899 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc([S@](C)=O)cc1 ZINC001327287825 870766507 /nfs/dbraw/zinc/76/65/07/870766507.db2.gz SVIBLNIQHILSKQ-VWLOTQADSA-N 2 2 368.503 0.362 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc([S@](C)=O)cc1 ZINC001327287825 870766513 /nfs/dbraw/zinc/76/65/13/870766513.db2.gz SVIBLNIQHILSKQ-VWLOTQADSA-N 2 2 368.503 0.362 10 0 FCAELP Cn1nc(C2CC2)cc1NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC001327288087 870766766 /nfs/dbraw/zinc/76/67/66/870766766.db2.gz UWARVEZCIHFXDX-UHFFFAOYSA-N 2 2 350.467 0.236 10 0 FCAELP Cn1nc(C2CC2)cc1NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC001327288087 870766775 /nfs/dbraw/zinc/76/67/75/870766775.db2.gz UWARVEZCIHFXDX-UHFFFAOYSA-N 2 2 350.467 0.236 10 0 FCAELP C[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001327698806 871020999 /nfs/dbraw/zinc/02/09/99/871020999.db2.gz FBLPPDOHIRADLK-WCVJEAGWSA-N 2 2 354.495 0.010 10 0 FCAELP C[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001327698806 871021021 /nfs/dbraw/zinc/02/10/21/871021021.db2.gz FBLPPDOHIRADLK-WCVJEAGWSA-N 2 2 354.495 0.010 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@]3(C)CC3(F)F)C2)CC1 ZINC001327986770 871169618 /nfs/dbraw/zinc/16/96/18/871169618.db2.gz JEFGJKLLYGQLAX-WBMJQRKESA-N 2 2 358.433 0.433 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@]3(C)CC3(F)F)C2)CC1 ZINC001327986770 871169626 /nfs/dbraw/zinc/16/96/26/871169626.db2.gz JEFGJKLLYGQLAX-WBMJQRKESA-N 2 2 358.433 0.433 10 0 FCAELP Cc1sc(S(N)(=O)=O)cc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC001347318516 872272984 /nfs/dbraw/zinc/27/29/84/872272984.db2.gz VVGSOZHNYNWQJO-UHFFFAOYSA-N 2 2 362.521 0.317 10 0 FCAELP Cc1sc(S(N)(=O)=O)cc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC001347318516 872272963 /nfs/dbraw/zinc/27/29/63/872272963.db2.gz VVGSOZHNYNWQJO-UHFFFAOYSA-N 2 2 362.521 0.317 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)n1 ZINC001333177360 873838811 /nfs/dbraw/zinc/83/88/11/873838811.db2.gz HRAOOYXCXBGWIK-OCCSQVGLSA-N 2 2 367.519 0.810 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)n1 ZINC001333177356 873839297 /nfs/dbraw/zinc/83/92/97/873839297.db2.gz HRAOOYXCXBGWIK-GXTWGEPZSA-N 2 2 367.519 0.810 10 0 FCAELP COc1cc(C[NH+]2CCOC[C@H](O)C2)cc(C[N@@H+]2CCOC[C@H](O)C2)c1 ZINC000295437357 214297130 /nfs/dbraw/zinc/29/71/30/214297130.db2.gz DLHBNZPQMOZOLA-QZTJIDSGSA-N 2 2 366.458 0.081 10 0 FCAELP COc1cc(C[NH+]2CCOC[C@H](O)C2)cc(C[N@H+]2CCOC[C@H](O)C2)c1 ZINC000295437357 214297134 /nfs/dbraw/zinc/29/71/34/214297134.db2.gz DLHBNZPQMOZOLA-QZTJIDSGSA-N 2 2 366.458 0.081 10 0 FCAELP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+][C@H]2CCOC2(C)C)CC1 ZINC000295364381 214292647 /nfs/dbraw/zinc/29/26/47/214292647.db2.gz ZKLOPBPVCMVBNY-AWEZNQCLSA-N 2 2 373.461 0.169 10 0 FCAELP O=C1CC[NH+](Cc2cc(Cl)cc(C[N@@H+]3CCNC(=O)CC3)c2)CCN1 ZINC000297040609 214376311 /nfs/dbraw/zinc/37/63/11/214376311.db2.gz HWECADZPMVGSFF-UHFFFAOYSA-N 2 2 364.877 0.984 10 0 FCAELP O=C1CC[NH+](Cc2cc(Cl)cc(C[N@H+]3CCNC(=O)CC3)c2)CCN1 ZINC000297040609 214376313 /nfs/dbraw/zinc/37/63/13/214376313.db2.gz HWECADZPMVGSFF-UHFFFAOYSA-N 2 2 364.877 0.984 10 0 FCAELP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC000410774102 529696903 /nfs/dbraw/zinc/69/69/03/529696903.db2.gz FJCLCNUZKXUTQF-HNNXBMFYSA-N 2 2 374.489 0.376 10 0 FCAELP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000410480493 529900966 /nfs/dbraw/zinc/90/09/66/529900966.db2.gz BEARDRBSQVHSKJ-QGZVFWFLSA-N 2 2 366.506 0.252 10 0 FCAELP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000410480493 529900967 /nfs/dbraw/zinc/90/09/67/529900967.db2.gz BEARDRBSQVHSKJ-QGZVFWFLSA-N 2 2 366.506 0.252 10 0 FCAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[NH2+]C[C@](C)(F)C2)nc[nH+]1 ZINC000333400109 215275093 /nfs/dbraw/zinc/27/50/93/215275093.db2.gz PXKYALPJYIEHEA-DYVFJYSZSA-N 2 2 365.457 0.830 10 0 FCAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[NH2+]C[C@](C)(F)C2)[nH+]cn1 ZINC000333400109 215275094 /nfs/dbraw/zinc/27/50/94/215275094.db2.gz PXKYALPJYIEHEA-DYVFJYSZSA-N 2 2 365.457 0.830 10 0 FCAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)nc[nH+]1 ZINC000333435425 215280865 /nfs/dbraw/zinc/28/08/65/215280865.db2.gz VHOSYAPYWRVGGU-XGUBFFRZSA-N 2 2 359.478 0.866 10 0 FCAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)[nH+]cn1 ZINC000333435425 215280870 /nfs/dbraw/zinc/28/08/70/215280870.db2.gz VHOSYAPYWRVGGU-XGUBFFRZSA-N 2 2 359.478 0.866 10 0 FCAELP C[NH+]1CCN(c2ncccc2CNC(=O)N2CC[NH2+]C[C@](C)(F)C2)CC1 ZINC000333807738 215320845 /nfs/dbraw/zinc/32/08/45/215320845.db2.gz PDQAKOWCKUJRNY-SFHVURJKSA-N 2 2 364.469 0.676 10 0 FCAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cn1 ZINC000285158528 213293471 /nfs/dbraw/zinc/29/34/71/213293471.db2.gz XTDKMWAJTQMNOP-UHFFFAOYSA-N 2 2 368.441 0.499 10 0 FCAELP Cn1cc[nH+]c1CNC(=O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000284577461 213172540 /nfs/dbraw/zinc/17/25/40/213172540.db2.gz FIFWYONXGUESFW-UHFFFAOYSA-N 2 2 355.442 0.949 10 0 FCAELP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000284321309 213110424 /nfs/dbraw/zinc/11/04/24/213110424.db2.gz PSAOOUNCJJMTMT-UHFFFAOYSA-N 2 2 371.445 0.145 10 0 FCAELP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000284085527 213071490 /nfs/dbraw/zinc/07/14/90/213071490.db2.gz VKSNXMOXVKAOPU-WBVHZDCISA-N 2 2 357.458 0.677 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)NC[C@H](C)C[NH+]3CCCC3)CC2)cc[nH+]1 ZINC000283824256 213013906 /nfs/dbraw/zinc/01/39/06/213013906.db2.gz KPLCZLJNAXTYIZ-HNNXBMFYSA-N 2 2 374.489 0.282 10 0 FCAELP C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](C[NH2+][C@@H]2CCCOC2)CC3)CC1 ZINC000365176719 215786473 /nfs/dbraw/zinc/78/64/73/215786473.db2.gz BNDYCXYGLNUQFY-HZPDHXFCSA-N 2 2 361.490 0.602 10 0 FCAELP Cc1cnn([C@H]2CC[NH+](CC(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)C2)c1 ZINC000368088252 216201824 /nfs/dbraw/zinc/20/18/24/216201824.db2.gz FUEGVIDAXMMGNS-ZWKOTPCHSA-N 2 2 363.506 0.911 10 0 FCAELP Cc1cnn([C@H]2CC[NH+](CC(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)C2)c1 ZINC000368088252 216201827 /nfs/dbraw/zinc/20/18/27/216201827.db2.gz FUEGVIDAXMMGNS-ZWKOTPCHSA-N 2 2 363.506 0.911 10 0 FCAELP Cc1cnn([C@H]2CC[N@@H+](CC(=O)NC[C@@H]3C[NH+](CC(C)C)CCO3)C2)c1 ZINC000368088252 216201830 /nfs/dbraw/zinc/20/18/30/216201830.db2.gz FUEGVIDAXMMGNS-ZWKOTPCHSA-N 2 2 363.506 0.911 10 0 FCAELP Cc1cnn([C@H]2CC[N@H+](CC(=O)NC[C@@H]3C[NH+](CC(C)C)CCO3)C2)c1 ZINC000368088252 216201831 /nfs/dbraw/zinc/20/18/31/216201831.db2.gz FUEGVIDAXMMGNS-ZWKOTPCHSA-N 2 2 363.506 0.911 10 0 FCAELP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC[C@H]21 ZINC000246716416 209398987 /nfs/dbraw/zinc/39/89/87/209398987.db2.gz FNOFQAHXPCKLCD-CZUORRHYSA-N 2 2 366.487 0.689 10 0 FCAELP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC[C@H]21 ZINC000246716416 209398977 /nfs/dbraw/zinc/39/89/77/209398977.db2.gz FNOFQAHXPCKLCD-CZUORRHYSA-N 2 2 366.487 0.689 10 0 FCAELP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC[C@H]21 ZINC000246716416 209398981 /nfs/dbraw/zinc/39/89/81/209398981.db2.gz FNOFQAHXPCKLCD-CZUORRHYSA-N 2 2 366.487 0.689 10 0 FCAELP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC[C@H]21 ZINC000246716416 209398982 /nfs/dbraw/zinc/39/89/82/209398982.db2.gz FNOFQAHXPCKLCD-CZUORRHYSA-N 2 2 366.487 0.689 10 0 FCAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@H](C)CS(C)(=O)=O)CC2)C1 ZINC000246639016 209395641 /nfs/dbraw/zinc/39/56/41/209395641.db2.gz UHEDVCCDYYOHHK-IRXDYDNUSA-N 2 2 361.552 0.394 10 0 FCAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@H](C)CS(C)(=O)=O)CC2)C1 ZINC000246639016 209395646 /nfs/dbraw/zinc/39/56/46/209395646.db2.gz UHEDVCCDYYOHHK-IRXDYDNUSA-N 2 2 361.552 0.394 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H](n3cncn3)C2)C1 ZINC000245842090 209376202 /nfs/dbraw/zinc/37/62/02/209376202.db2.gz ZYGSZNMNLGSSAP-IAGOWNOFSA-N 2 2 364.494 0.388 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H](n3cncn3)C2)C1 ZINC000245842090 209376206 /nfs/dbraw/zinc/37/62/06/209376206.db2.gz ZYGSZNMNLGSSAP-IAGOWNOFSA-N 2 2 364.494 0.388 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@@H](n3cncn3)C2)C1 ZINC000245842090 209376209 /nfs/dbraw/zinc/37/62/09/209376209.db2.gz ZYGSZNMNLGSSAP-IAGOWNOFSA-N 2 2 364.494 0.388 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@@H](n3cncn3)C2)C1 ZINC000245842090 209376215 /nfs/dbraw/zinc/37/62/15/209376215.db2.gz ZYGSZNMNLGSSAP-IAGOWNOFSA-N 2 2 364.494 0.388 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(c3ccnn3CCO)CC2)CC1 ZINC000195508906 209339930 /nfs/dbraw/zinc/33/99/30/209339930.db2.gz GAEISTHLGBHFIM-INIZCTEOSA-N 2 2 363.506 0.607 10 0 FCAELP C[C@H]1C[N@H+](CCN2CC[NH+](C[C@H](O)COc3ccccc3)CC2)CCO1 ZINC000191487087 209285827 /nfs/dbraw/zinc/28/58/27/209285827.db2.gz WCJNDQRXQNOYHC-OALUTQOASA-N 2 2 363.502 0.765 10 0 FCAELP C[C@H]1C[N@@H+](CCN2CC[NH+](C[C@H](O)COc3ccccc3)CC2)CCO1 ZINC000191487087 209285830 /nfs/dbraw/zinc/28/58/30/209285830.db2.gz WCJNDQRXQNOYHC-OALUTQOASA-N 2 2 363.502 0.765 10 0 FCAELP CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC1 ZINC000189453083 209252947 /nfs/dbraw/zinc/25/29/47/209252947.db2.gz UXYMNEPXZYXFGZ-QGZVFWFLSA-N 2 2 360.458 0.486 10 0 FCAELP CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC1 ZINC000189453083 209252950 /nfs/dbraw/zinc/25/29/50/209252950.db2.gz UXYMNEPXZYXFGZ-QGZVFWFLSA-N 2 2 360.458 0.486 10 0 FCAELP C[NH+]1C[C@@]2(C)CN(CC(=O)NCC(C)(C)[NH+]3CCOCC3)C[C@]2(C)C1 ZINC000931305070 674108403 /nfs/dbraw/zinc/10/84/03/674108403.db2.gz UIJYVBCCLRFKHW-OALUTQOASA-N 2 2 352.523 0.487 10 0 FCAELP C[C@@]1(C(N)=O)CCCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000185911015 209183334 /nfs/dbraw/zinc/18/33/34/209183334.db2.gz IMJRFEJNZWBJIF-IBGZPJMESA-N 2 2 359.474 0.850 10 0 FCAELP C[C@@]1(C(N)=O)CCCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000185911015 209183336 /nfs/dbraw/zinc/18/33/36/209183336.db2.gz IMJRFEJNZWBJIF-IBGZPJMESA-N 2 2 359.474 0.850 10 0 FCAELP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)NCCC[NH3+])c2)CC1 ZINC000415028626 245342891 /nfs/dbraw/zinc/34/28/91/245342891.db2.gz ZFBGWWLLIVLGPI-UHFFFAOYSA-N 2 2 355.464 0.093 10 0 FCAELP CC[C@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@@]2(CCOC2)O1 ZINC000373395343 217014531 /nfs/dbraw/zinc/01/45/31/217014531.db2.gz QHYOJGRHUDEVKY-PKOBYXMFSA-N 2 2 368.522 0.992 10 0 FCAELP Cn1cc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c(=O)n(C)c1=O ZINC000373479965 217022342 /nfs/dbraw/zinc/02/23/42/217022342.db2.gz AMGGTOWNUHTDLB-UHFFFAOYSA-N 2 2 374.407 0.979 10 0 FCAELP CN(C)c1cc[nH+]cc1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000183497278 209147920 /nfs/dbraw/zinc/14/79/20/209147920.db2.gz JQKPLQAOBNJTME-UHFFFAOYSA-N 2 2 369.473 0.880 10 0 FCAELP C[NH+]1CCN(C(=O)C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)CC1 ZINC000183469036 209146677 /nfs/dbraw/zinc/14/66/77/209146677.db2.gz XWQIVARSZSMUST-UHFFFAOYSA-N 2 2 350.507 0.875 10 0 FCAELP CC(=O)N1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C(C)(C)C1 ZINC000182166207 209127962 /nfs/dbraw/zinc/12/79/62/209127962.db2.gz VCIFXDHSJZHFFH-QGZVFWFLSA-N 2 2 368.522 0.402 10 0 FCAELP CC(=O)N1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C(C)(C)C1 ZINC000182166207 209127965 /nfs/dbraw/zinc/12/79/65/209127965.db2.gz VCIFXDHSJZHFFH-QGZVFWFLSA-N 2 2 368.522 0.402 10 0 FCAELP CC(=O)N1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C(C)(C)C1 ZINC000182166207 209127968 /nfs/dbraw/zinc/12/79/68/209127968.db2.gz VCIFXDHSJZHFFH-QGZVFWFLSA-N 2 2 368.522 0.402 10 0 FCAELP CC(=O)N1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C(C)(C)C1 ZINC000182166207 209127971 /nfs/dbraw/zinc/12/79/71/209127971.db2.gz VCIFXDHSJZHFFH-QGZVFWFLSA-N 2 2 368.522 0.402 10 0 FCAELP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCc2nc(C[NH+](C)C)cs2)C1 ZINC000931658002 674127867 /nfs/dbraw/zinc/12/78/67/674127867.db2.gz UCLBWFNBOUNDQQ-CYBMUJFWSA-N 2 2 367.519 0.669 10 0 FCAELP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCc2nc(C[NH+](C)C)cs2)C1 ZINC000931658002 674127869 /nfs/dbraw/zinc/12/78/69/674127869.db2.gz UCLBWFNBOUNDQQ-CYBMUJFWSA-N 2 2 367.519 0.669 10 0 FCAELP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000419155501 246021684 /nfs/dbraw/zinc/02/16/84/246021684.db2.gz UARYXPQKPHEDCE-YOEHRIQHSA-N 2 2 372.469 0.521 10 0 FCAELP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000419155501 246021689 /nfs/dbraw/zinc/02/16/89/246021689.db2.gz UARYXPQKPHEDCE-YOEHRIQHSA-N 2 2 372.469 0.521 10 0 FCAELP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000931663145 674128410 /nfs/dbraw/zinc/12/84/10/674128410.db2.gz FPKQFPFIRPAMJU-UHFFFAOYSA-N 2 2 367.519 0.764 10 0 FCAELP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000931664024 674128938 /nfs/dbraw/zinc/12/89/38/674128938.db2.gz YBLHLLZOTXBHAP-UHFFFAOYSA-N 2 2 355.508 0.620 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)n1 ZINC000931668790 674130256 /nfs/dbraw/zinc/13/02/56/674130256.db2.gz RKVFQMJCNYTAPX-GFCCVEGCSA-N 2 2 367.519 0.810 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)n1 ZINC000931668790 674130258 /nfs/dbraw/zinc/13/02/58/674130258.db2.gz RKVFQMJCNYTAPX-GFCCVEGCSA-N 2 2 367.519 0.810 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C[C@H](C)[NH2+]1 ZINC000419650196 246230499 /nfs/dbraw/zinc/23/04/99/246230499.db2.gz UREVPDUUCJCQBJ-GJZGRUSLSA-N 2 2 355.442 0.756 10 0 FCAELP [NH3+]C[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000419713763 246265218 /nfs/dbraw/zinc/26/52/18/246265218.db2.gz RXIHVNVWHRADAZ-ZDUSSCGKSA-N 2 2 364.877 0.622 10 0 FCAELP [NH3+]C[C@@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000419713763 246265223 /nfs/dbraw/zinc/26/52/23/246265223.db2.gz RXIHVNVWHRADAZ-ZDUSSCGKSA-N 2 2 364.877 0.622 10 0 FCAELP [NH3+]C[C@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000419713762 246266411 /nfs/dbraw/zinc/26/64/11/246266411.db2.gz RXIHVNVWHRADAZ-CYBMUJFWSA-N 2 2 364.877 0.622 10 0 FCAELP [NH3+]C[C@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000419713762 246266419 /nfs/dbraw/zinc/26/64/19/246266419.db2.gz RXIHVNVWHRADAZ-CYBMUJFWSA-N 2 2 364.877 0.622 10 0 FCAELP CN(C(=O)C(=O)NCCC[NH3+])[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419831358 246309303 /nfs/dbraw/zinc/30/93/03/246309303.db2.gz LPXIZFOFEFRKLK-IAGOWNOFSA-N 3 2 367.538 0.247 10 0 FCAELP CN(C(=O)C(=O)NCCC[NH3+])[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419831358 246309307 /nfs/dbraw/zinc/30/93/07/246309307.db2.gz LPXIZFOFEFRKLK-IAGOWNOFSA-N 3 2 367.538 0.247 10 0 FCAELP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000423379155 247016291 /nfs/dbraw/zinc/01/62/91/247016291.db2.gz GISPZEDQNFWLJX-UZLBHIALSA-N 2 2 373.501 0.803 10 0 FCAELP O=C(C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)N1CC[NH+](CC2CC2)CC1 ZINC000423664985 247101598 /nfs/dbraw/zinc/10/15/98/247101598.db2.gz IXVHQOZCQUMGGX-QGZVFWFLSA-N 2 2 357.458 0.109 10 0 FCAELP O=C(C(=O)N1CC[NH2+]C[C@H]1c1cccnc1)N1CC[NH+](CC2CC2)CC1 ZINC000423664983 247101999 /nfs/dbraw/zinc/10/19/99/247101999.db2.gz IXVHQOZCQUMGGX-KRWDZBQOSA-N 2 2 357.458 0.109 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)Nc1cncc(N[C@@H](C)C[NH+]2CCOCC2)n1 ZINC000439096584 248109595 /nfs/dbraw/zinc/10/95/95/248109595.db2.gz FXGSJLYZHHWJAD-IYBDPMFKSA-N 2 2 364.494 0.742 10 0 FCAELP COCC[N@H+](C)CCNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000443187437 248310267 /nfs/dbraw/zinc/31/02/67/248310267.db2.gz BQIVKQGCYUWOKK-UHFFFAOYSA-N 2 2 352.460 0.788 10 0 FCAELP COCC[N@@H+](C)CCNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000443187437 248310269 /nfs/dbraw/zinc/31/02/69/248310269.db2.gz BQIVKQGCYUWOKK-UHFFFAOYSA-N 2 2 352.460 0.788 10 0 FCAELP C[NH+](C)C1(CNC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CCC1 ZINC000445847656 248378286 /nfs/dbraw/zinc/37/82/86/248378286.db2.gz DANYRKYPTAGTLT-UHFFFAOYSA-N 2 2 365.522 0.714 10 0 FCAELP O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000452370305 249311682 /nfs/dbraw/zinc/31/16/82/249311682.db2.gz SMZJRXNQKKTNKS-KRWDZBQOSA-N 2 2 362.474 0.490 10 0 FCAELP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000452370305 249311685 /nfs/dbraw/zinc/31/16/85/249311685.db2.gz SMZJRXNQKKTNKS-KRWDZBQOSA-N 2 2 362.474 0.490 10 0 FCAELP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270584247 211229442 /nfs/dbraw/zinc/22/94/42/211229442.db2.gz DCQCWCPDKXJENJ-HYVNUMGLSA-N 2 2 359.474 0.508 10 0 FCAELP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270584247 211229446 /nfs/dbraw/zinc/22/94/46/211229446.db2.gz DCQCWCPDKXJENJ-HYVNUMGLSA-N 2 2 359.474 0.508 10 0 FCAELP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](NC(N)=O)C1 ZINC000270584247 211229449 /nfs/dbraw/zinc/22/94/49/211229449.db2.gz DCQCWCPDKXJENJ-HYVNUMGLSA-N 2 2 359.474 0.508 10 0 FCAELP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](NC(N)=O)C1 ZINC000270584247 211229452 /nfs/dbraw/zinc/22/94/52/211229452.db2.gz DCQCWCPDKXJENJ-HYVNUMGLSA-N 2 2 359.474 0.508 10 0 FCAELP Cn1nc(CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c2ccccc2c1=O ZINC000482000897 250374483 /nfs/dbraw/zinc/37/44/83/250374483.db2.gz UDYXNBPRELYJRO-UHFFFAOYSA-N 2 2 371.485 0.618 10 0 FCAELP C[C@@H]1CN(C(=O)C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C[C@@H](C)O1 ZINC000078642132 208081765 /nfs/dbraw/zinc/08/17/65/208081765.db2.gz ACCYPSSDMJJYIS-KURKYZTESA-N 2 2 352.523 0.724 10 0 FCAELP C[C@@H]1CN(C(=O)C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C[C@@H](C)O1 ZINC000078642132 208081771 /nfs/dbraw/zinc/08/17/71/208081771.db2.gz ACCYPSSDMJJYIS-KURKYZTESA-N 2 2 352.523 0.724 10 0 FCAELP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000092320605 208144195 /nfs/dbraw/zinc/14/41/95/208144195.db2.gz XTLHJVHCESVTPZ-ZIAGYGMSSA-N 2 2 372.477 0.678 10 0 FCAELP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000106533763 208225758 /nfs/dbraw/zinc/22/57/58/208225758.db2.gz KWVMSRCAEHRNAP-INIZCTEOSA-N 2 2 360.506 0.986 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(C3OCCO3)CC2)C1 ZINC000110081383 208265269 /nfs/dbraw/zinc/26/52/69/208265269.db2.gz IXMKGKQAYWXGTR-QGZVFWFLSA-N 2 2 369.506 0.544 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(C3OCCO3)CC2)C1 ZINC000110081383 208265273 /nfs/dbraw/zinc/26/52/73/208265273.db2.gz IXMKGKQAYWXGTR-QGZVFWFLSA-N 2 2 369.506 0.544 10 0 FCAELP C[NH+]1CCN([C@@H](C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c2ccccc2)CC1 ZINC000115164859 208320928 /nfs/dbraw/zinc/32/09/28/208320928.db2.gz FQEATOSPNIRUDG-VQTJNVASSA-N 2 2 372.513 0.955 10 0 FCAELP C[NH+]1CCN([C@@H](C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c2ccccc2)CC1 ZINC000115164859 208320930 /nfs/dbraw/zinc/32/09/30/208320930.db2.gz FQEATOSPNIRUDG-VQTJNVASSA-N 2 2 372.513 0.955 10 0 FCAELP CC(C)(CNC(=O)C[N@@H+]1CC[C@@H](Oc2cccnc2)C1)[NH+]1CCOCC1 ZINC000177960624 209039818 /nfs/dbraw/zinc/03/98/18/209039818.db2.gz JUYJAZXTJVIKQP-QGZVFWFLSA-N 2 2 362.474 0.762 10 0 FCAELP CC(C)(CNC(=O)C[N@H+]1CC[C@@H](Oc2cccnc2)C1)[NH+]1CCOCC1 ZINC000177960624 209039821 /nfs/dbraw/zinc/03/98/21/209039821.db2.gz JUYJAZXTJVIKQP-QGZVFWFLSA-N 2 2 362.474 0.762 10 0 FCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000178286931 209048344 /nfs/dbraw/zinc/04/83/44/209048344.db2.gz IPAGPERPAOAYRD-QGZVFWFLSA-N 2 2 363.506 0.883 10 0 FCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000178286931 209048346 /nfs/dbraw/zinc/04/83/46/209048346.db2.gz IPAGPERPAOAYRD-QGZVFWFLSA-N 2 2 363.506 0.883 10 0 FCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)NCC(C)(C)N1CCOCC1 ZINC000178286931 209048350 /nfs/dbraw/zinc/04/83/50/209048350.db2.gz IPAGPERPAOAYRD-QGZVFWFLSA-N 2 2 363.506 0.883 10 0 FCAELP COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC[N@H+](C)C1 ZINC000411756751 533475905 /nfs/dbraw/zinc/47/59/05/533475905.db2.gz KNFGRXGYXUAYOE-ZDUSSCGKSA-N 2 2 373.413 0.144 10 0 FCAELP COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC[N@@H+](C)C1 ZINC000411756751 533475908 /nfs/dbraw/zinc/47/59/08/533475908.db2.gz KNFGRXGYXUAYOE-ZDUSSCGKSA-N 2 2 373.413 0.144 10 0 FCAELP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)CC1 ZINC000091712006 229158758 /nfs/dbraw/zinc/15/87/58/229158758.db2.gz YOYUGWDDSHEUKX-ZACQAIPSSA-N 2 2 365.522 0.807 10 0 FCAELP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)C[C@H](C)O1 ZINC000410499410 230104998 /nfs/dbraw/zinc/10/49/98/230104998.db2.gz SILAKJIOERMOMV-HLLBOEOZSA-N 2 2 366.506 0.249 10 0 FCAELP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)C[C@H](C)O1 ZINC000410499410 230105002 /nfs/dbraw/zinc/10/50/02/230105002.db2.gz SILAKJIOERMOMV-HLLBOEOZSA-N 2 2 366.506 0.249 10 0 FCAELP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H](C)O1 ZINC000410499410 230105006 /nfs/dbraw/zinc/10/50/06/230105006.db2.gz SILAKJIOERMOMV-HLLBOEOZSA-N 2 2 366.506 0.249 10 0 FCAELP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)C[C@H](C)O1 ZINC000410499410 230105009 /nfs/dbraw/zinc/10/50/09/230105009.db2.gz SILAKJIOERMOMV-HLLBOEOZSA-N 2 2 366.506 0.249 10 0 FCAELP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000363696955 488875696 /nfs/dbraw/zinc/87/56/96/488875696.db2.gz BLRXPTKMSONYCN-UHFFFAOYSA-N 2 2 364.490 0.008 10 0 FCAELP Cc1nc(N2CCN(C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)cc[nH+]1 ZINC000363891642 488897076 /nfs/dbraw/zinc/89/70/76/488897076.db2.gz ZZOGCVDTKWSKJT-HOTGVXAUSA-N 2 2 360.462 0.480 10 0 FCAELP Cc1nc(N2CCN(C(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)CC2)cc[nH+]1 ZINC000363891642 488897079 /nfs/dbraw/zinc/89/70/79/488897079.db2.gz ZZOGCVDTKWSKJT-HOTGVXAUSA-N 2 2 360.462 0.480 10 0 FCAELP O=C(NCC[NH+]1CCOCC1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000047618232 488038492 /nfs/dbraw/zinc/03/84/92/488038492.db2.gz AHCCIWQKPOMWEA-UHFFFAOYSA-N 2 2 362.474 0.650 10 0 FCAELP COCCN1C[C@@H](C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CC1=O ZINC000329127743 488971691 /nfs/dbraw/zinc/97/16/91/488971691.db2.gz ZEJXFWRHKGDULT-CVEARBPZSA-N 2 2 366.506 0.108 10 0 FCAELP COCCN1C[C@@H](C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CC1=O ZINC000329127743 488971695 /nfs/dbraw/zinc/97/16/95/488971695.db2.gz ZEJXFWRHKGDULT-CVEARBPZSA-N 2 2 366.506 0.108 10 0 FCAELP CCC[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)CC(=O)N(C)C ZINC000056510945 488257520 /nfs/dbraw/zinc/25/75/20/488257520.db2.gz ZZFWCMMXOYYETP-MRXNPFEDSA-N 2 2 356.511 0.260 10 0 FCAELP CCC[N@@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)CC(=O)N(C)C ZINC000056510945 488257523 /nfs/dbraw/zinc/25/75/23/488257523.db2.gz ZZFWCMMXOYYETP-MRXNPFEDSA-N 2 2 356.511 0.260 10 0 FCAELP CCC[NH+](CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)CC(=O)N(C)C ZINC000056510945 488257526 /nfs/dbraw/zinc/25/75/26/488257526.db2.gz ZZFWCMMXOYYETP-MRXNPFEDSA-N 2 2 356.511 0.260 10 0 FCAELP CCC[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)CC(=O)N(C)C ZINC000056510945 488257529 /nfs/dbraw/zinc/25/75/29/488257529.db2.gz ZZFWCMMXOYYETP-MRXNPFEDSA-N 2 2 356.511 0.260 10 0 FCAELP C[NH+]1CCN(c2cc(C(=O)NCC(C)(C)[NH+]3CCOCC3)ccn2)CC1 ZINC000068383537 488364639 /nfs/dbraw/zinc/36/46/39/488364639.db2.gz AOPPTZWSIYDQHG-UHFFFAOYSA-N 2 2 361.490 0.674 10 0 FCAELP CCCNC(=O)CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000073523254 488384754 /nfs/dbraw/zinc/38/47/54/488384754.db2.gz FUQCKBGKOMYJHA-UHFFFAOYSA-N 2 2 353.511 0.762 10 0 FCAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000184735197 488397729 /nfs/dbraw/zinc/39/77/29/488397729.db2.gz SFHSZLWCBCVVMF-SJORKVTESA-N 2 2 356.511 0.441 10 0 FCAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000184735197 488397731 /nfs/dbraw/zinc/39/77/31/488397731.db2.gz SFHSZLWCBCVVMF-SJORKVTESA-N 2 2 356.511 0.441 10 0 FCAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185194261 488400121 /nfs/dbraw/zinc/40/01/21/488400121.db2.gz UGZVFJVTOXTNKV-VQIMIIECSA-N 2 2 360.458 0.610 10 0 FCAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185194261 488400124 /nfs/dbraw/zinc/40/01/24/488400124.db2.gz UGZVFJVTOXTNKV-VQIMIIECSA-N 2 2 360.458 0.610 10 0 FCAELP C[NH+]1CCC(CNC(=O)N[C@H]2CCCCNC2=O)([NH+]2CCCCC2)CC1 ZINC000080599409 488436302 /nfs/dbraw/zinc/43/63/02/488436302.db2.gz UCGALDWXCLMXRP-INIZCTEOSA-N 2 2 365.522 0.905 10 0 FCAELP CN(C)c1[nH+]cc(CNC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)n1C ZINC000083738804 488449341 /nfs/dbraw/zinc/44/93/41/488449341.db2.gz IZIDCOQOYCRQPG-HNNXBMFYSA-N 2 2 364.494 0.882 10 0 FCAELP COc1cc[nH+]c(N2CC[NH+](C[C@H]3CCCN(S(C)(=O)=O)C3)CC2)c1 ZINC000085793499 488452230 /nfs/dbraw/zinc/45/22/30/488452230.db2.gz NEZDJXFFAOHSHR-OAHLLOKOSA-N 2 2 368.503 0.884 10 0 FCAELP CCN1CC[NH+](CCCCNC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)CC1 ZINC000245871922 488466714 /nfs/dbraw/zinc/46/67/14/488466714.db2.gz LLKGEKUCSIIPBK-MSOLQXFVSA-N 2 2 369.554 0.501 10 0 FCAELP CCN1CC[NH+](CCCCNC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)CC1 ZINC000245871922 488466716 /nfs/dbraw/zinc/46/67/16/488466716.db2.gz LLKGEKUCSIIPBK-MSOLQXFVSA-N 2 2 369.554 0.501 10 0 FCAELP CC[NH+]1CCN(CCCCNC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)CC1 ZINC000245871922 488466718 /nfs/dbraw/zinc/46/67/18/488466718.db2.gz LLKGEKUCSIIPBK-MSOLQXFVSA-N 2 2 369.554 0.501 10 0 FCAELP CC[NH+]1CCN(CCCCNC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)CC1 ZINC000245871922 488466721 /nfs/dbraw/zinc/46/67/21/488466721.db2.gz LLKGEKUCSIIPBK-MSOLQXFVSA-N 2 2 369.554 0.501 10 0 FCAELP CC(=O)N1CCC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000247936344 488491684 /nfs/dbraw/zinc/49/16/84/488491684.db2.gz LMOUIEGDVKLLAY-QGZVFWFLSA-N 2 2 354.495 0.014 10 0 FCAELP CC(=O)N1CCC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CC1 ZINC000247936344 488491686 /nfs/dbraw/zinc/49/16/86/488491686.db2.gz LMOUIEGDVKLLAY-QGZVFWFLSA-N 2 2 354.495 0.014 10 0 FCAELP CC(=O)N1CCC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CC1 ZINC000247936344 488491688 /nfs/dbraw/zinc/49/16/88/488491688.db2.gz LMOUIEGDVKLLAY-QGZVFWFLSA-N 2 2 354.495 0.014 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000248217034 488494121 /nfs/dbraw/zinc/49/41/21/488494121.db2.gz ZWDKIPQBUZNXQT-OTWHNJEPSA-N 3 2 366.550 0.876 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000248217034 488494122 /nfs/dbraw/zinc/49/41/22/488494122.db2.gz ZWDKIPQBUZNXQT-OTWHNJEPSA-N 3 2 366.550 0.876 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000248217034 488494123 /nfs/dbraw/zinc/49/41/23/488494123.db2.gz ZWDKIPQBUZNXQT-OTWHNJEPSA-N 3 2 366.550 0.876 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000248217034 488494124 /nfs/dbraw/zinc/49/41/24/488494124.db2.gz ZWDKIPQBUZNXQT-OTWHNJEPSA-N 3 2 366.550 0.876 10 0 FCAELP CC(C)[C@@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000248591953 488499201 /nfs/dbraw/zinc/49/92/01/488499201.db2.gz HGMSFZTYGBLPDT-OKZBNKHCSA-N 2 2 369.554 0.355 10 0 FCAELP CC(C)[C@@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000248591953 488499202 /nfs/dbraw/zinc/49/92/02/488499202.db2.gz HGMSFZTYGBLPDT-OKZBNKHCSA-N 2 2 369.554 0.355 10 0 FCAELP CC(C)[C@@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000248591953 488499203 /nfs/dbraw/zinc/49/92/03/488499203.db2.gz HGMSFZTYGBLPDT-OKZBNKHCSA-N 2 2 369.554 0.355 10 0 FCAELP CC(C)[C@@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000248591953 488499205 /nfs/dbraw/zinc/49/92/05/488499205.db2.gz HGMSFZTYGBLPDT-OKZBNKHCSA-N 2 2 369.554 0.355 10 0 FCAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249037277 488505327 /nfs/dbraw/zinc/50/53/27/488505327.db2.gz UGZVFJVTOXTNKV-LPHOPBHVSA-N 2 2 360.458 0.610 10 0 FCAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249037277 488505328 /nfs/dbraw/zinc/50/53/28/488505328.db2.gz UGZVFJVTOXTNKV-LPHOPBHVSA-N 2 2 360.458 0.610 10 0 FCAELP O=C(CSCC(=O)N1CC[NH+](C2CC2)CC1)N1CC[NH+](C2CC2)CC1 ZINC000105597579 488509393 /nfs/dbraw/zinc/50/93/93/488509393.db2.gz FMTOWCYSPZZDFA-UHFFFAOYSA-N 2 2 366.531 0.333 10 0 FCAELP C[NH+](C)Cc1cc(CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)ccc1F ZINC000262315430 488563376 /nfs/dbraw/zinc/56/33/76/488563376.db2.gz DJLJZRNSHVYFHK-UHFFFAOYSA-N 2 2 371.478 0.670 10 0 FCAELP CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000121114668 488564499 /nfs/dbraw/zinc/56/44/99/488564499.db2.gz SOVMAWKMOAOYJT-UHFFFAOYSA-N 2 2 362.474 0.867 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000272263750 488570000 /nfs/dbraw/zinc/57/00/00/488570000.db2.gz CBDUHHVSMSTQDP-UHFFFAOYSA-N 2 2 356.430 0.503 10 0 FCAELP C[C@H]1C[C@H]([NH+](C)CC(=O)NCc2ccc(OCC(N)=O)cc2)CC[N@@H+]1C ZINC000123765988 488587209 /nfs/dbraw/zinc/58/72/09/488587209.db2.gz PJDSAQYJWUTABJ-GOEBONIOSA-N 2 2 362.474 0.581 10 0 FCAELP C[C@H]1C[C@H]([NH+](C)CC(=O)NCc2ccc(OCC(N)=O)cc2)CC[N@H+]1C ZINC000123765988 488587212 /nfs/dbraw/zinc/58/72/12/488587212.db2.gz PJDSAQYJWUTABJ-GOEBONIOSA-N 2 2 362.474 0.581 10 0 FCAELP C[C@H]1C[C@H]([N@H+](C)CC(=O)NCc2ccc(OCC(N)=O)cc2)CC[NH+]1C ZINC000123765988 488587213 /nfs/dbraw/zinc/58/72/13/488587213.db2.gz PJDSAQYJWUTABJ-GOEBONIOSA-N 2 2 362.474 0.581 10 0 FCAELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)NCc2ccc(OCC(N)=O)cc2)CC[NH+]1C ZINC000123765988 488587216 /nfs/dbraw/zinc/58/72/16/488587216.db2.gz PJDSAQYJWUTABJ-GOEBONIOSA-N 2 2 362.474 0.581 10 0 FCAELP CC[C@H](CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)[N@@H+]1CCc2ccccc2C1 ZINC000262853312 488597037 /nfs/dbraw/zinc/59/70/37/488597037.db2.gz XKPDTGXXPJTOQW-IAGOWNOFSA-N 2 2 367.515 0.702 10 0 FCAELP CC[C@H](CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)[N@H+]1CCc2ccccc2C1 ZINC000262853312 488597040 /nfs/dbraw/zinc/59/70/40/488597040.db2.gz XKPDTGXXPJTOQW-IAGOWNOFSA-N 2 2 367.515 0.702 10 0 FCAELP Cc1[nH+]ccn1CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000136306032 488676911 /nfs/dbraw/zinc/67/69/11/488676911.db2.gz YDGYSFBMQCMOEQ-GOSISDBHSA-N 3 2 365.522 0.986 10 0 FCAELP Cc1[nH+]ccn1CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000136306032 488676916 /nfs/dbraw/zinc/67/69/16/488676916.db2.gz YDGYSFBMQCMOEQ-GOSISDBHSA-N 3 2 365.522 0.986 10 0 FCAELP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000136306032 488676919 /nfs/dbraw/zinc/67/69/19/488676919.db2.gz YDGYSFBMQCMOEQ-GOSISDBHSA-N 3 2 365.522 0.986 10 0 FCAELP CC[NH+]1CCC(CCNC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000570110126 491216990 /nfs/dbraw/zinc/21/69/90/491216990.db2.gz KEFYLQNSEORHTP-UHFFFAOYSA-N 2 2 368.522 0.452 10 0 FCAELP O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000570165464 491221634 /nfs/dbraw/zinc/22/16/34/491221634.db2.gz YRYWDCXTMXTEHX-INIZCTEOSA-N 2 2 370.457 0.866 10 0 FCAELP C[NH+]1CCC(CNC(=O)CNC(=O)c2cccnc2)([NH+]2CCCCC2)CC1 ZINC000162348671 488802219 /nfs/dbraw/zinc/80/22/19/488802219.db2.gz QRIKAWGKYZIHKG-UHFFFAOYSA-N 2 2 373.501 0.878 10 0 FCAELP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000162609009 488803911 /nfs/dbraw/zinc/80/39/11/488803911.db2.gz DAGKYBYKMWWMPA-OALUTQOASA-N 2 2 361.486 0.803 10 0 FCAELP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000162609009 488803912 /nfs/dbraw/zinc/80/39/12/488803912.db2.gz DAGKYBYKMWWMPA-OALUTQOASA-N 2 2 361.486 0.803 10 0 FCAELP CCn1c(N)c(C(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(=O)[nH]c1=O ZINC000171388485 488822875 /nfs/dbraw/zinc/82/28/75/488822875.db2.gz JJZQAAXCCMCWMZ-UHFFFAOYSA-N 2 2 363.462 0.129 10 0 FCAELP COCC[N@@H+]1CCN(C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC000172322570 488832675 /nfs/dbraw/zinc/83/26/75/488832675.db2.gz FASUDZDKGAZUOP-DLBZAZTESA-N 2 2 356.511 0.705 10 0 FCAELP COCC[N@H+]1CCN(C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC000172322570 488832677 /nfs/dbraw/zinc/83/26/77/488832677.db2.gz FASUDZDKGAZUOP-DLBZAZTESA-N 2 2 356.511 0.705 10 0 FCAELP COCC[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC000172322570 488832679 /nfs/dbraw/zinc/83/26/79/488832679.db2.gz FASUDZDKGAZUOP-DLBZAZTESA-N 2 2 356.511 0.705 10 0 FCAELP COCC[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC000172322570 488832681 /nfs/dbraw/zinc/83/26/81/488832681.db2.gz FASUDZDKGAZUOP-DLBZAZTESA-N 2 2 356.511 0.705 10 0 FCAELP C[NH+]1CCN([C@@H](C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c2ccccc2)CC1 ZINC000172749683 488837530 /nfs/dbraw/zinc/83/75/30/488837530.db2.gz AEXKTNIFQBODCB-WOJBJXKFSA-N 2 2 372.513 0.908 10 0 FCAELP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CC[C@H]([NH+]4CCOCC4)C3)cc2C1 ZINC000174007205 488847083 /nfs/dbraw/zinc/84/70/83/488847083.db2.gz CZLUWXHXYCNHNY-KRWDZBQOSA-N 2 2 358.442 0.504 10 0 FCAELP C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CC[C@H]([NH+]4CCOCC4)C3)cc2C1 ZINC000174007205 488847084 /nfs/dbraw/zinc/84/70/84/488847084.db2.gz CZLUWXHXYCNHNY-KRWDZBQOSA-N 2 2 358.442 0.504 10 0 FCAELP CC1(C)C[N@H+](CCNC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CCO1 ZINC000174548876 488849630 /nfs/dbraw/zinc/84/96/30/488849630.db2.gz CCHLGHXIDDCSED-KRWDZBQOSA-N 2 2 368.522 0.994 10 0 FCAELP CC1(C)C[N@@H+](CCNC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CCO1 ZINC000174548876 488849631 /nfs/dbraw/zinc/84/96/31/488849631.db2.gz CCHLGHXIDDCSED-KRWDZBQOSA-N 2 2 368.522 0.994 10 0 FCAELP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000174643204 488850524 /nfs/dbraw/zinc/85/05/24/488850524.db2.gz KRAVALNJSICIHM-IBGZPJMESA-N 2 2 360.502 0.771 10 0 FCAELP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC000174643204 488850525 /nfs/dbraw/zinc/85/05/25/488850525.db2.gz KRAVALNJSICIHM-IBGZPJMESA-N 2 2 360.502 0.771 10 0 FCAELP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000174643204 488850526 /nfs/dbraw/zinc/85/05/26/488850526.db2.gz KRAVALNJSICIHM-IBGZPJMESA-N 2 2 360.502 0.771 10 0 FCAELP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC000174643204 488850527 /nfs/dbraw/zinc/85/05/27/488850527.db2.gz KRAVALNJSICIHM-IBGZPJMESA-N 2 2 360.502 0.771 10 0 FCAELP C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000174748452 488850890 /nfs/dbraw/zinc/85/08/90/488850890.db2.gz RAJIPNOVXHZVIH-KRWDZBQOSA-N 2 2 354.495 0.603 10 0 FCAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000174748452 488850891 /nfs/dbraw/zinc/85/08/91/488850891.db2.gz RAJIPNOVXHZVIH-KRWDZBQOSA-N 2 2 354.495 0.603 10 0 FCAELP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000174869577 488851566 /nfs/dbraw/zinc/85/15/66/488851566.db2.gz UAXDIMXBYXKKJY-SFHVURJKSA-N 2 2 373.501 0.573 10 0 FCAELP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000174869577 488851567 /nfs/dbraw/zinc/85/15/67/488851567.db2.gz UAXDIMXBYXKKJY-SFHVURJKSA-N 2 2 373.501 0.573 10 0 FCAELP CC[C@H]1CN(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC000175778986 488855655 /nfs/dbraw/zinc/85/56/55/488855655.db2.gz UAAMDFWFWALYML-MSOLQXFVSA-N 2 2 369.554 0.622 10 0 FCAELP CC[C@H]1CN(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC000175778986 488855656 /nfs/dbraw/zinc/85/56/56/488855656.db2.gz UAAMDFWFWALYML-MSOLQXFVSA-N 2 2 369.554 0.622 10 0 FCAELP CC[C@H](O)C[NH+]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000182053655 488864058 /nfs/dbraw/zinc/86/40/58/488864058.db2.gz LDPIRHFZNKRVNE-KRWDZBQOSA-N 3 2 355.527 0.111 10 0 FCAELP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329153761 488975097 /nfs/dbraw/zinc/97/50/97/488975097.db2.gz BCUZBNXXZRTNFW-LSDHHAIUSA-N 2 2 358.446 0.768 10 0 FCAELP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329153761 488975099 /nfs/dbraw/zinc/97/50/99/488975099.db2.gz BCUZBNXXZRTNFW-LSDHHAIUSA-N 2 2 358.446 0.768 10 0 FCAELP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000329153758 488975108 /nfs/dbraw/zinc/97/51/08/488975108.db2.gz BCUZBNXXZRTNFW-HUUCEWRRSA-N 2 2 358.446 0.768 10 0 FCAELP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000329153758 488975109 /nfs/dbraw/zinc/97/51/09/488975109.db2.gz BCUZBNXXZRTNFW-HUUCEWRRSA-N 2 2 358.446 0.768 10 0 FCAELP COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000288448644 488982014 /nfs/dbraw/zinc/98/20/14/488982014.db2.gz OXRDQTQNXFPMOY-QZTJIDSGSA-N 2 2 374.485 0.339 10 0 FCAELP COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000288448644 488982016 /nfs/dbraw/zinc/98/20/16/488982016.db2.gz OXRDQTQNXFPMOY-QZTJIDSGSA-N 2 2 374.485 0.339 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000329532294 489013071 /nfs/dbraw/zinc/01/30/71/489013071.db2.gz JWKKSZTWTDZOEL-QGZVFWFLSA-N 2 2 366.506 0.252 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000329532294 489013074 /nfs/dbraw/zinc/01/30/74/489013074.db2.gz JWKKSZTWTDZOEL-QGZVFWFLSA-N 2 2 366.506 0.252 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000329532293 489013397 /nfs/dbraw/zinc/01/33/97/489013397.db2.gz JWKKSZTWTDZOEL-KRWDZBQOSA-N 2 2 366.506 0.252 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000329532293 489013399 /nfs/dbraw/zinc/01/33/99/489013399.db2.gz JWKKSZTWTDZOEL-KRWDZBQOSA-N 2 2 366.506 0.252 10 0 FCAELP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1)c1ccccc1 ZINC000289503028 489071896 /nfs/dbraw/zinc/07/18/96/489071896.db2.gz UJCYQHGVGPLDMT-HZPDHXFCSA-N 2 2 372.473 0.697 10 0 FCAELP O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000365981637 489132129 /nfs/dbraw/zinc/13/21/29/489132129.db2.gz GILMHAFWPZVKOM-CYBMUJFWSA-N 2 2 362.384 0.935 10 0 FCAELP CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000297679708 489223013 /nfs/dbraw/zinc/22/30/13/489223013.db2.gz BUFXHEYBHUERBE-OAHLLOKOSA-N 2 2 361.490 0.945 10 0 FCAELP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000332793639 489231691 /nfs/dbraw/zinc/23/16/91/489231691.db2.gz OGADCZBVVMKDRF-QZTJIDSGSA-N 2 2 368.522 0.990 10 0 FCAELP Cc1cc[nH+]c(C)c1NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333264095 489259994 /nfs/dbraw/zinc/25/99/94/489259994.db2.gz FGNXUVUPRFFDLS-UHFFFAOYSA-N 2 2 353.448 0.150 10 0 FCAELP C[C@H]1CN(c2ccc(CNC(=O)c3cn(CC[NH3+])nn3)c[nH+]2)C[C@H](C)O1 ZINC000563451206 491248063 /nfs/dbraw/zinc/24/80/63/491248063.db2.gz MDADFYPLUVDOIW-STQMWFEESA-N 2 2 359.434 0.175 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@@]2(C(N)=O)CCOC2)CC1 ZINC000570579951 491251202 /nfs/dbraw/zinc/25/12/02/491251202.db2.gz GWWPFWQEXUFECH-KXBFYZLASA-N 2 2 360.458 0.126 10 0 FCAELP CN(CC[N@H+](C)CC(=O)N1CCOC[C@H]1C1CC1)C1CC[NH+](C)CC1 ZINC000371432396 489484377 /nfs/dbraw/zinc/48/43/77/489484377.db2.gz ROTOHBQLDBIIIK-SFHVURJKSA-N 2 2 352.523 0.582 10 0 FCAELP CN(CC[N@@H+](C)CC(=O)N1CCOC[C@H]1C1CC1)C1CC[NH+](C)CC1 ZINC000371432396 489484378 /nfs/dbraw/zinc/48/43/78/489484378.db2.gz ROTOHBQLDBIIIK-SFHVURJKSA-N 2 2 352.523 0.582 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)N1CCOC[C@H]1C1CC1 ZINC000371432396 489484379 /nfs/dbraw/zinc/48/43/79/489484379.db2.gz ROTOHBQLDBIIIK-SFHVURJKSA-N 2 2 352.523 0.582 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)N1CCOC[C@H]1C1CC1 ZINC000371432396 489484380 /nfs/dbraw/zinc/48/43/80/489484380.db2.gz ROTOHBQLDBIIIK-SFHVURJKSA-N 2 2 352.523 0.582 10 0 FCAELP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000415603028 489535790 /nfs/dbraw/zinc/53/57/90/489535790.db2.gz AAJISLZKXMVGOA-CRAIPNDOSA-N 2 2 373.501 0.487 10 0 FCAELP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000415624398 489538361 /nfs/dbraw/zinc/53/83/61/489538361.db2.gz NSNTYYNFEMILCA-WMLDXEAASA-N 2 2 360.458 0.572 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[N@H+](CCO)C[C@@H]2C)CC1 ZINC000452117077 489549322 /nfs/dbraw/zinc/54/93/22/489549322.db2.gz NNLHYDCEHRGABW-OALUTQOASA-N 2 2 374.529 0.890 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[N@@H+](CCO)C[C@@H]2C)CC1 ZINC000452117077 489549325 /nfs/dbraw/zinc/54/93/25/489549325.db2.gz NNLHYDCEHRGABW-OALUTQOASA-N 2 2 374.529 0.890 10 0 FCAELP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000426334646 489563197 /nfs/dbraw/zinc/56/31/97/489563197.db2.gz LLRNRNGQSQBJRL-GASCZTMLSA-N 2 2 353.511 0.840 10 0 FCAELP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000426334646 489563198 /nfs/dbraw/zinc/56/31/98/489563198.db2.gz LLRNRNGQSQBJRL-GASCZTMLSA-N 2 2 353.511 0.840 10 0 FCAELP C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000555668502 491264114 /nfs/dbraw/zinc/26/41/14/491264114.db2.gz QXZFBKXENIUMSZ-UHFFFAOYSA-N 2 2 355.442 0.758 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417023288 489639331 /nfs/dbraw/zinc/63/93/31/489639331.db2.gz WABNXMXPYMMKGF-ZDUSSCGKSA-N 2 2 374.411 0.783 10 0 FCAELP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[N@H+](CCO)C[C@@H]2C)C[C@@H](C)O1 ZINC000457576016 489649481 /nfs/dbraw/zinc/64/94/81/489649481.db2.gz VDKLHVBCRGWTCT-ARFHVFGLSA-N 2 2 356.511 0.582 10 0 FCAELP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)C[C@@H](C)O1 ZINC000457576016 489649484 /nfs/dbraw/zinc/64/94/84/489649484.db2.gz VDKLHVBCRGWTCT-ARFHVFGLSA-N 2 2 356.511 0.582 10 0 FCAELP C[C@@H](CCCC[NH3+])NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000417719651 489662712 /nfs/dbraw/zinc/66/27/12/489662712.db2.gz WWEOEQMQIWQLKH-HNNXBMFYSA-N 2 2 353.511 0.747 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N[C@@H](C[NH3+])C2CCCC2)C1=O ZINC000563875055 491274241 /nfs/dbraw/zinc/27/42/41/491274241.db2.gz IKSAETMRHSEHME-GJZGRUSLSA-N 2 2 362.478 0.728 10 0 FCAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418884686 489774784 /nfs/dbraw/zinc/77/47/84/489774784.db2.gz GDGPZFSMALZGSO-CJNGLKHVSA-N 2 2 357.458 0.965 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418903639 489782840 /nfs/dbraw/zinc/78/28/40/489782840.db2.gz IHQFFRZMPFQHAK-KCXAZCMYSA-N 2 2 366.412 0.694 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418903639 489782842 /nfs/dbraw/zinc/78/28/42/489782842.db2.gz IHQFFRZMPFQHAK-KCXAZCMYSA-N 2 2 366.412 0.694 10 0 FCAELP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418905211 489783787 /nfs/dbraw/zinc/78/37/87/489783787.db2.gz JRTYZQAFOKZMSH-HFBAOOFYSA-N 2 2 368.428 0.940 10 0 FCAELP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418905211 489783791 /nfs/dbraw/zinc/78/37/91/489783791.db2.gz JRTYZQAFOKZMSH-HFBAOOFYSA-N 2 2 368.428 0.940 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)cc1 ZINC000418906240 489784234 /nfs/dbraw/zinc/78/42/34/489784234.db2.gz KSYFSNVZMVQYJI-ILXRZTDVSA-N 2 2 350.850 0.680 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)cc1 ZINC000418906240 489784237 /nfs/dbraw/zinc/78/42/37/489784237.db2.gz KSYFSNVZMVQYJI-ILXRZTDVSA-N 2 2 350.850 0.680 10 0 FCAELP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418909676 489786411 /nfs/dbraw/zinc/78/64/11/489786411.db2.gz OEYRMFCAJSLVCT-HUUCEWRRSA-N 2 2 354.401 0.552 10 0 FCAELP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418909676 489786415 /nfs/dbraw/zinc/78/64/15/489786415.db2.gz OEYRMFCAJSLVCT-HUUCEWRRSA-N 2 2 354.401 0.552 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000418912896 489787148 /nfs/dbraw/zinc/78/71/48/489787148.db2.gz RXGZXCUGIWTZDA-RLCCDNCMSA-N 2 2 366.412 0.647 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000418912896 489787150 /nfs/dbraw/zinc/78/71/50/489787150.db2.gz RXGZXCUGIWTZDA-RLCCDNCMSA-N 2 2 366.412 0.647 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)[C@H]1c1ccc(F)c(F)c1 ZINC000418912916 489787557 /nfs/dbraw/zinc/78/75/57/489787557.db2.gz RYHFNJQGIWOFDU-VBNZEHGJSA-N 2 2 366.412 0.694 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)[C@H]1c1ccc(F)c(F)c1 ZINC000418912916 489787562 /nfs/dbraw/zinc/78/75/62/489787562.db2.gz RYHFNJQGIWOFDU-VBNZEHGJSA-N 2 2 366.412 0.694 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)[C@H]1c1ccc(F)c(F)c1 ZINC000418912915 489787945 /nfs/dbraw/zinc/78/79/45/489787945.db2.gz RYHFNJQGIWOFDU-UHOFOFEASA-N 2 2 366.412 0.694 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)[C@H]1c1ccc(F)c(F)c1 ZINC000418912915 489787950 /nfs/dbraw/zinc/78/79/50/489787950.db2.gz RYHFNJQGIWOFDU-UHOFOFEASA-N 2 2 366.412 0.694 10 0 FCAELP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000418913696 489788991 /nfs/dbraw/zinc/78/89/91/489788991.db2.gz SRWGLYQERKWVPW-KCPJHIHWSA-N 2 2 352.866 0.912 10 0 FCAELP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000418913696 489788994 /nfs/dbraw/zinc/78/89/94/489788994.db2.gz SRWGLYQERKWVPW-KCPJHIHWSA-N 2 2 352.866 0.912 10 0 FCAELP O=C(N1CC[NH+](C2CC2)CC1)C1(C(=O)N2CC[NH+](C3CC3)CC2)CCC1 ZINC000474845071 489789244 /nfs/dbraw/zinc/78/92/44/489789244.db2.gz ZUFYLTAIVBVDQT-UHFFFAOYSA-N 2 2 360.502 0.770 10 0 FCAELP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418916140 489790111 /nfs/dbraw/zinc/79/01/11/489790111.db2.gz WHDLTTWVSJRVPL-CUOATXAZSA-N 2 2 356.829 0.804 10 0 FCAELP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418916140 489790113 /nfs/dbraw/zinc/79/01/13/489790113.db2.gz WHDLTTWVSJRVPL-CUOATXAZSA-N 2 2 356.829 0.804 10 0 FCAELP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418937769 489797436 /nfs/dbraw/zinc/79/74/36/489797436.db2.gz GDBHDFSZOPFAAY-TZMCWYRMSA-N 2 2 350.488 0.337 10 0 FCAELP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418937769 489797438 /nfs/dbraw/zinc/79/74/38/489797438.db2.gz GDBHDFSZOPFAAY-TZMCWYRMSA-N 2 2 350.488 0.337 10 0 FCAELP CCNc1nc(N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)nc(NC(C)(C)C)[nH+]1 ZINC000419008640 489816103 /nfs/dbraw/zinc/81/61/03/489816103.db2.gz VZURQXLTDQPLKU-STQMWFEESA-N 2 2 351.499 0.827 10 0 FCAELP CCNc1nc(N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)nc(NC(C)(C)C)[nH+]1 ZINC000419008640 489816109 /nfs/dbraw/zinc/81/61/09/489816109.db2.gz VZURQXLTDQPLKU-STQMWFEESA-N 2 2 351.499 0.827 10 0 FCAELP O=S(=O)(CCC[NH+]1CCOCC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000376952031 489823488 /nfs/dbraw/zinc/82/34/88/489823488.db2.gz XOMBZPDANGSQBE-QGZVFWFLSA-N 2 2 359.536 0.989 10 0 FCAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)c(C)c1 ZINC000419108674 489858231 /nfs/dbraw/zinc/85/82/31/489858231.db2.gz MAHLJLRFGMTCPL-WBVHZDCISA-N 2 2 355.442 0.917 10 0 FCAELP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000420097069 489911420 /nfs/dbraw/zinc/91/14/20/489911420.db2.gz HNDQRHWFOMCZFP-DOTOQJQBSA-N 2 2 374.485 0.454 10 0 FCAELP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000477057523 489935812 /nfs/dbraw/zinc/93/58/12/489935812.db2.gz NVOBFMJXMUHTQI-IRXDYDNUSA-N 2 2 368.522 0.546 10 0 FCAELP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000571186565 491291490 /nfs/dbraw/zinc/29/14/90/491291490.db2.gz PGPQNWVDAOSIHP-SJLPKXTDSA-N 2 2 373.501 0.039 10 0 FCAELP CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000532732169 490102584 /nfs/dbraw/zinc/10/25/84/490102584.db2.gz PCTGNGAAIYTQDQ-ZDUSSCGKSA-N 2 2 363.466 0.287 10 0 FCAELP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C[C@@H]1C ZINC000556168150 491299925 /nfs/dbraw/zinc/29/99/25/491299925.db2.gz GXTFSMLAAOYICR-JKSUJKDBSA-N 2 2 354.495 0.156 10 0 FCAELP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C[C@@H]1C ZINC000556168150 491299928 /nfs/dbraw/zinc/29/99/28/491299928.db2.gz GXTFSMLAAOYICR-JKSUJKDBSA-N 2 2 354.495 0.156 10 0 FCAELP C[C@@H](C(=O)N1CC[NH+](C2CC2)CC1)[C@H](C)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000479928873 490139561 /nfs/dbraw/zinc/13/95/61/490139561.db2.gz GOKXPGAGMPWZGL-IYBDPMFKSA-N 2 2 362.518 0.872 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000564346207 491302505 /nfs/dbraw/zinc/30/25/05/491302505.db2.gz FEIHHKKTWTVXJK-ICSRJNTNSA-N 3 2 366.550 0.877 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000564346207 491302507 /nfs/dbraw/zinc/30/25/07/491302507.db2.gz FEIHHKKTWTVXJK-ICSRJNTNSA-N 3 2 366.550 0.877 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000564346207 491302509 /nfs/dbraw/zinc/30/25/09/491302509.db2.gz FEIHHKKTWTVXJK-ICSRJNTNSA-N 3 2 366.550 0.877 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000564346207 491302511 /nfs/dbraw/zinc/30/25/11/491302511.db2.gz FEIHHKKTWTVXJK-ICSRJNTNSA-N 3 2 366.550 0.877 10 0 FCAELP [NH3+]C[C@@H](C(=O)N1CCC(c2nnc3n2CC[NH2+]C3)CC1)c1ccc(F)cc1 ZINC000571439512 491308028 /nfs/dbraw/zinc/30/80/28/491308028.db2.gz OSTDIEFCJGRXNO-MRXNPFEDSA-N 2 2 372.448 0.969 10 0 FCAELP C[N@H+](C[C@H](O)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)C1CC1 ZINC000571485713 491311020 /nfs/dbraw/zinc/31/10/20/491311020.db2.gz SAEDLZAVTFRFPW-SFHVURJKSA-N 3 2 352.523 0.318 10 0 FCAELP C[N@@H+](C[C@H](O)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)C1CC1 ZINC000571485713 491311021 /nfs/dbraw/zinc/31/10/21/491311021.db2.gz SAEDLZAVTFRFPW-SFHVURJKSA-N 3 2 352.523 0.318 10 0 FCAELP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000533530632 490249984 /nfs/dbraw/zinc/24/99/84/490249984.db2.gz SIUCWTXQIXYICV-LBPRGKRZSA-N 2 2 361.450 0.041 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000521571952 490275452 /nfs/dbraw/zinc/27/54/52/490275452.db2.gz CVVNPUCTJXCUSJ-SJORKVTESA-N 2 2 371.485 0.734 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000521571952 490275454 /nfs/dbraw/zinc/27/54/54/490275454.db2.gz CVVNPUCTJXCUSJ-SJORKVTESA-N 2 2 371.485 0.734 10 0 FCAELP C[C@@H]1OCC[C@]1(O)C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000447925943 490297854 /nfs/dbraw/zinc/29/78/54/490297854.db2.gz KQEGYIZGCLBTMD-PXNSSMCTSA-N 2 2 361.486 0.803 10 0 FCAELP C[C@@H]1OCC[C@]1(O)C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000447925943 490297862 /nfs/dbraw/zinc/29/78/62/490297862.db2.gz KQEGYIZGCLBTMD-PXNSSMCTSA-N 2 2 361.486 0.803 10 0 FCAELP CC(C)C[C@H](NC(=O)N[C@H](C)C[NH+]1CCOCC1)C(=O)NCC[NH+](C)C ZINC000533929225 490301303 /nfs/dbraw/zinc/30/13/03/490301303.db2.gz DZHFQVSUPSTCNQ-CVEARBPZSA-N 2 2 371.526 0.099 10 0 FCAELP C[C@H]1OCC[C@H]1[N@H+](CCO)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000483291022 490302717 /nfs/dbraw/zinc/30/27/17/490302717.db2.gz CWFAAXOMZBMSRQ-NVXWUHKLSA-N 2 2 367.515 0.864 10 0 FCAELP C[C@H]1OCC[C@H]1[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000483291022 490302726 /nfs/dbraw/zinc/30/27/26/490302726.db2.gz CWFAAXOMZBMSRQ-NVXWUHKLSA-N 2 2 367.515 0.864 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)c1 ZINC000422474684 490342442 /nfs/dbraw/zinc/34/24/42/490342442.db2.gz HJFBLLCILDGSRJ-UHFFFAOYSA-N 2 2 363.487 0.731 10 0 FCAELP CCn1cnnc1CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000534449661 490367836 /nfs/dbraw/zinc/36/78/36/490367836.db2.gz NBRJAKSTIYWJPE-XYPWUTKMSA-N 2 2 361.494 0.750 10 0 FCAELP CCn1cnnc1CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000534449661 490367842 /nfs/dbraw/zinc/36/78/42/490367842.db2.gz NBRJAKSTIYWJPE-XYPWUTKMSA-N 2 2 361.494 0.750 10 0 FCAELP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@H]([C@@H](O)C(F)(F)F)C3)cn2)CC1 ZINC000449672343 490419761 /nfs/dbraw/zinc/41/97/61/490419761.db2.gz MMALEENJZJHASZ-UONOGXRCSA-N 2 2 359.396 0.974 10 0 FCAELP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H]([C@@H](O)C(F)(F)F)C3)cn2)CC1 ZINC000449672343 490419770 /nfs/dbraw/zinc/41/97/70/490419770.db2.gz MMALEENJZJHASZ-UONOGXRCSA-N 2 2 359.396 0.974 10 0 FCAELP CCN(CCC[NH+](C)C)C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000468687603 490435645 /nfs/dbraw/zinc/43/56/45/490435645.db2.gz BGVTVQFQISBVOL-UHFFFAOYSA-N 2 2 367.538 0.914 10 0 FCAELP CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000468732842 490442085 /nfs/dbraw/zinc/44/20/85/490442085.db2.gz FZLBMCDHANBSTP-OAHLLOKOSA-N 2 2 364.494 0.894 10 0 FCAELP Cn1cc[nH+]c1CN1CC[NH+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000500186911 490489396 /nfs/dbraw/zinc/48/93/96/490489396.db2.gz QJXJTOMSZOHTET-UHFFFAOYSA-N 2 2 370.457 0.665 10 0 FCAELP O=C(C1CCC1)N1CCN(CC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000422952600 490505195 /nfs/dbraw/zinc/50/51/95/490505195.db2.gz BNAZLVPTDYDNRT-ROUUACIJSA-N 2 2 350.507 0.287 10 0 FCAELP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422958519 490505843 /nfs/dbraw/zinc/50/58/43/490505843.db2.gz YEBNCTAUWGDCDO-UHFFFAOYSA-N 2 2 355.442 0.815 10 0 FCAELP Cc1cc(S(=O)(=O)NCC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c(C)s1 ZINC000422997825 490514313 /nfs/dbraw/zinc/51/43/13/490514313.db2.gz OQEDOIRSFAEQGF-GOEBONIOSA-N 2 2 373.544 1.000 10 0 FCAELP C[C@@H](CNC(=O)c1cccc(N2CC[NH+](C)CC2)n1)C[NH+]1CCOCC1 ZINC000535760956 490524049 /nfs/dbraw/zinc/52/40/49/490524049.db2.gz ANYBJGMKUUGWOL-INIZCTEOSA-N 2 2 361.490 0.532 10 0 FCAELP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCn2nc3ccccn3c2=O)CC1 ZINC000501107994 490579651 /nfs/dbraw/zinc/57/96/51/490579651.db2.gz POAAIYZXEQYZNU-HDICACEKSA-N 2 2 372.517 0.986 10 0 FCAELP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCn2nc3ccccn3c2=O)CC1 ZINC000501107994 490579652 /nfs/dbraw/zinc/57/96/52/490579652.db2.gz POAAIYZXEQYZNU-HDICACEKSA-N 2 2 372.517 0.986 10 0 FCAELP CC(C)(CNC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)[NH+]1CCOCC1 ZINC000549985514 490617808 /nfs/dbraw/zinc/61/78/08/490617808.db2.gz SXAZIPOPHYMMPB-UHFFFAOYSA-N 2 2 366.506 0.347 10 0 FCAELP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000538347893 490727918 /nfs/dbraw/zinc/72/79/18/490727918.db2.gz DIEATSANVVVDGJ-YTQUADARSA-N 2 2 364.534 0.915 10 0 FCAELP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000538347893 490727919 /nfs/dbraw/zinc/72/79/19/490727919.db2.gz DIEATSANVVVDGJ-YTQUADARSA-N 2 2 364.534 0.915 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000515330621 490819167 /nfs/dbraw/zinc/81/91/67/490819167.db2.gz BATBRCMPEASJFL-DOTOQJQBSA-N 2 2 371.485 0.638 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000515330621 490819168 /nfs/dbraw/zinc/81/91/68/490819168.db2.gz BATBRCMPEASJFL-DOTOQJQBSA-N 2 2 371.485 0.638 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000515330627 490819196 /nfs/dbraw/zinc/81/91/96/490819196.db2.gz BATBRCMPEASJFL-NVXWUHKLSA-N 2 2 371.485 0.638 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000515330627 490819199 /nfs/dbraw/zinc/81/91/99/490819199.db2.gz BATBRCMPEASJFL-NVXWUHKLSA-N 2 2 371.485 0.638 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000515386399 490823679 /nfs/dbraw/zinc/82/36/79/490823679.db2.gz MBWLNBBWVLZBNN-BSDSXHPESA-N 3 2 352.523 0.519 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000515386399 490823682 /nfs/dbraw/zinc/82/36/82/490823682.db2.gz MBWLNBBWVLZBNN-BSDSXHPESA-N 3 2 352.523 0.519 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000515386399 490823685 /nfs/dbraw/zinc/82/36/85/490823685.db2.gz MBWLNBBWVLZBNN-BSDSXHPESA-N 3 2 352.523 0.519 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000515386399 490823687 /nfs/dbraw/zinc/82/36/87/490823687.db2.gz MBWLNBBWVLZBNN-BSDSXHPESA-N 3 2 352.523 0.519 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)C1 ZINC000528779494 490827848 /nfs/dbraw/zinc/82/78/48/490827848.db2.gz AHJCHPPNDBATMW-LQIAVNJRSA-N 2 2 371.547 0.445 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)C1 ZINC000528779494 490827849 /nfs/dbraw/zinc/82/78/49/490827849.db2.gz AHJCHPPNDBATMW-LQIAVNJRSA-N 2 2 371.547 0.445 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)C1 ZINC000528779494 490827850 /nfs/dbraw/zinc/82/78/50/490827850.db2.gz AHJCHPPNDBATMW-LQIAVNJRSA-N 2 2 371.547 0.445 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)C1 ZINC000528779494 490827851 /nfs/dbraw/zinc/82/78/51/490827851.db2.gz AHJCHPPNDBATMW-LQIAVNJRSA-N 2 2 371.547 0.445 10 0 FCAELP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000540928411 490840878 /nfs/dbraw/zinc/84/08/78/490840878.db2.gz ICWHYSKPGUKEQR-HNNXBMFYSA-N 2 2 359.474 0.719 10 0 FCAELP C[C@@H](CC[NH+](C)C)NC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000542121839 490886269 /nfs/dbraw/zinc/88/62/69/490886269.db2.gz DDSQVNJREDPBJE-KBPBESRZSA-N 2 2 350.467 0.551 10 0 FCAELP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1)CC2 ZINC000516974291 490888852 /nfs/dbraw/zinc/88/88/52/490888852.db2.gz YBHDDSYOKKMVBV-ZACQAIPSSA-N 2 2 366.506 0.297 10 0 FCAELP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1)CC2 ZINC000516974291 490888855 /nfs/dbraw/zinc/88/88/55/490888855.db2.gz YBHDDSYOKKMVBV-ZACQAIPSSA-N 2 2 366.506 0.297 10 0 FCAELP C[C@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530227458 490893474 /nfs/dbraw/zinc/89/34/74/490893474.db2.gz FBYXXAVHQGBKNC-QGZVFWFLSA-N 2 2 373.501 0.676 10 0 FCAELP CC1=CC[N@H+](CCNC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000517186873 490898124 /nfs/dbraw/zinc/89/81/24/490898124.db2.gz KNLSNTJAWQFLQV-UHFFFAOYSA-N 2 2 355.442 0.761 10 0 FCAELP CC1=CC[N@@H+](CCNC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000517186873 490898125 /nfs/dbraw/zinc/89/81/25/490898125.db2.gz KNLSNTJAWQFLQV-UHFFFAOYSA-N 2 2 355.442 0.761 10 0 FCAELP C[C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000543014043 490919386 /nfs/dbraw/zinc/91/93/86/490919386.db2.gz LLQITJBFQDJAIA-MSOLQXFVSA-N 2 2 364.534 0.726 10 0 FCAELP CN(C)c1nc(N2CCN(c3ncnc4c3C[N@H+](C)CC4)CC2)cc[nH+]1 ZINC000531142754 490943100 /nfs/dbraw/zinc/94/31/00/490943100.db2.gz IQRYVAJIPXOCMU-UHFFFAOYSA-N 2 2 354.462 0.647 10 0 FCAELP CN(C)c1nc(N2CCN(c3ncnc4c3C[N@@H+](C)CC4)CC2)cc[nH+]1 ZINC000531142754 490943102 /nfs/dbraw/zinc/94/31/02/490943102.db2.gz IQRYVAJIPXOCMU-UHFFFAOYSA-N 2 2 354.462 0.647 10 0 FCAELP CN(CCC(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1)c1cc[nH+]cc1 ZINC000543714250 490943451 /nfs/dbraw/zinc/94/34/51/490943451.db2.gz OUGHXTMZDGAULW-GOSISDBHSA-N 2 2 362.474 0.858 10 0 FCAELP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000518530949 490944290 /nfs/dbraw/zinc/94/42/90/490944290.db2.gz ZBSFACHKWICIJB-HNNXBMFYSA-N 2 2 368.441 0.551 10 0 FCAELP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000543947047 490952804 /nfs/dbraw/zinc/95/28/04/490952804.db2.gz IEJJCDZANLRBRV-ZIAGYGMSSA-N 2 2 359.434 0.496 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)NCCCn2cc[nH+]c2)C1=O ZINC000543964727 490953410 /nfs/dbraw/zinc/95/34/10/490953410.db2.gz HYKOGYMJBGSNOV-CQSZACIVSA-N 2 2 359.434 0.497 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@H+](C)C2)C1=O ZINC000543977905 490953793 /nfs/dbraw/zinc/95/37/93/490953793.db2.gz RMYYVAHKDCLHTQ-GJZGRUSLSA-N 2 2 362.478 0.552 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC000543977905 490953794 /nfs/dbraw/zinc/95/37/94/490953794.db2.gz RMYYVAHKDCLHTQ-GJZGRUSLSA-N 2 2 362.478 0.552 10 0 FCAELP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000543979452 490953870 /nfs/dbraw/zinc/95/38/70/490953870.db2.gz MORXGONZLWVYTM-GJZGRUSLSA-N 2 2 364.494 0.941 10 0 FCAELP CC(C)n1ccc(C[C@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000543992513 490954708 /nfs/dbraw/zinc/95/47/08/490954708.db2.gz PCLIJTCWKOXEKS-WMZOPIPTSA-N 2 2 363.506 0.918 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+][C@@H](Cc2ccc(F)cc2)C(N)=O)C1=O ZINC000544071773 490956412 /nfs/dbraw/zinc/95/64/12/490956412.db2.gz WXSPFWSBYISRQD-HOTGVXAUSA-N 2 2 373.432 0.736 10 0 FCAELP COC(=O)CCN1CC[C@H]([NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC000595309787 491916549 /nfs/dbraw/zinc/91/65/49/491916549.db2.gz BFFPKNNDUPAHTJ-IRXDYDNUSA-N 2 2 366.506 0.252 10 0 FCAELP COC(=O)CCN1CC[C@H]([NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C1=O ZINC000595309787 491916551 /nfs/dbraw/zinc/91/65/51/491916551.db2.gz BFFPKNNDUPAHTJ-IRXDYDNUSA-N 2 2 366.506 0.252 10 0 FCAELP COC(=O)CCN1CCC[C@@H]([N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000595325313 491919217 /nfs/dbraw/zinc/91/92/17/491919217.db2.gz FSDFMOSWJGYXSQ-HZPDHXFCSA-N 2 2 353.463 0.195 10 0 FCAELP COC(=O)CCN1CCC[C@@H]([N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000595325313 491919220 /nfs/dbraw/zinc/91/92/20/491919220.db2.gz FSDFMOSWJGYXSQ-HZPDHXFCSA-N 2 2 353.463 0.195 10 0 FCAELP COCCn1cc(NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000602283559 491976621 /nfs/dbraw/zinc/97/66/21/491976621.db2.gz MAHFPNAOESKFGU-CQSZACIVSA-N 2 2 350.467 0.820 10 0 FCAELP COCCn1cc(NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000602283559 491976622 /nfs/dbraw/zinc/97/66/22/491976622.db2.gz MAHFPNAOESKFGU-CQSZACIVSA-N 2 2 350.467 0.820 10 0 FCAELP C[NH+]1CCN(c2cccc(C(=O)NCC[N@@H+]3CCOC(C)(C)C3)n2)CC1 ZINC000562513559 491171439 /nfs/dbraw/zinc/17/14/39/491171439.db2.gz XQNNLRSMWDUAJI-UHFFFAOYSA-N 2 2 361.490 0.674 10 0 FCAELP C[NH+]1CCN(c2cccc(C(=O)NCC[N@H+]3CCOC(C)(C)C3)n2)CC1 ZINC000562513559 491171441 /nfs/dbraw/zinc/17/14/41/491171441.db2.gz XQNNLRSMWDUAJI-UHFFFAOYSA-N 2 2 361.490 0.674 10 0 FCAELP C[NH+]1CCN(c2cc(C(=O)N3CCN(c4[nH]cc[nH+]4)CC3)ccn2)CC1 ZINC000569621623 491175293 /nfs/dbraw/zinc/17/52/93/491175293.db2.gz PYHHHESKHQNJKR-UHFFFAOYSA-N 2 2 355.446 0.519 10 0 FCAELP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000562765169 491187345 /nfs/dbraw/zinc/18/73/45/491187345.db2.gz KWIQAXFEQHHILD-HNNXBMFYSA-N 2 2 360.462 0.799 10 0 FCAELP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000562765169 491187347 /nfs/dbraw/zinc/18/73/47/491187347.db2.gz KWIQAXFEQHHILD-HNNXBMFYSA-N 2 2 360.462 0.799 10 0 FCAELP CCN1CC[NH+](CCCCNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000557354336 491369403 /nfs/dbraw/zinc/36/94/03/491369403.db2.gz GWGATEMZDODKOF-UHFFFAOYSA-N 2 2 372.473 0.807 10 0 FCAELP CC[NH+]1CCN(CCCCNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000557354336 491369405 /nfs/dbraw/zinc/36/94/05/491369405.db2.gz GWGATEMZDODKOF-UHFFFAOYSA-N 2 2 372.473 0.807 10 0 FCAELP O=C(CN1CCC2(CC[NH2+]2)CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000573093758 491412059 /nfs/dbraw/zinc/41/20/59/491412059.db2.gz IJBMTURJBQZEHD-UHFFFAOYSA-N 2 2 372.513 0.963 10 0 FCAELP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000566193491 491424646 /nfs/dbraw/zinc/42/46/46/491424646.db2.gz HWKGLTQWHRYKKL-ZMSDIMECSA-N 2 2 362.478 0.576 10 0 FCAELP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000573549335 491439731 /nfs/dbraw/zinc/43/97/31/491439731.db2.gz RXZZZIDTYCHZIT-WMZOPIPTSA-N 2 2 373.501 0.039 10 0 FCAELP O=C(NCc1cn2ccccc2[nH+]1)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668381336 493344392 /nfs/dbraw/zinc/34/43/92/493344392.db2.gz YKZCJUISQYDYKF-MRXNPFEDSA-N 2 2 371.441 0.008 10 0 FCAELP O=C(NCc1cn2ccccc2[nH+]1)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668381336 493344395 /nfs/dbraw/zinc/34/43/95/493344395.db2.gz YKZCJUISQYDYKF-MRXNPFEDSA-N 2 2 371.441 0.008 10 0 FCAELP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H](C)c2[nH+]ccn2C)CC1 ZINC000660335990 493344451 /nfs/dbraw/zinc/34/44/51/493344451.db2.gz JIRNTFAECLUVEY-CYBMUJFWSA-N 2 2 350.467 0.771 10 0 FCAELP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H](C)c2[nH+]ccn2C)CC1 ZINC000660335996 493344641 /nfs/dbraw/zinc/34/46/41/493344641.db2.gz JIRNTFAECLUVEY-ZDUSSCGKSA-N 2 2 350.467 0.771 10 0 FCAELP O=C(NCCCCn1cc[nH+]c1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000573986589 491467603 /nfs/dbraw/zinc/46/76/03/491467603.db2.gz MMRRNEDLIFMRJJ-UHFFFAOYSA-N 2 2 370.457 0.960 10 0 FCAELP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000559383895 491469165 /nfs/dbraw/zinc/46/91/65/491469165.db2.gz SPLMPBIJXJXHFK-CABCVRRESA-N 2 2 354.495 0.155 10 0 FCAELP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@H+]1C ZINC000559383895 491469166 /nfs/dbraw/zinc/46/91/66/491469166.db2.gz SPLMPBIJXJXHFK-CABCVRRESA-N 2 2 354.495 0.155 10 0 FCAELP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000574038315 491470347 /nfs/dbraw/zinc/47/03/47/491470347.db2.gz ASQNUXXAZCLISV-CVEARBPZSA-N 2 2 359.474 0.625 10 0 FCAELP CN(C)c1[nH+]cnc2c1cc(C(=O)NC[C@@H]1CCCC[N@@H+]1CCO)n2C ZINC000566897132 491473756 /nfs/dbraw/zinc/47/37/56/491473756.db2.gz XCCCTOSHWMLGKG-ZDUSSCGKSA-N 2 2 360.462 0.611 10 0 FCAELP CN(C)c1[nH+]cnc2c1cc(C(=O)NC[C@@H]1CCCC[N@H+]1CCO)n2C ZINC000566897132 491473757 /nfs/dbraw/zinc/47/37/57/491473757.db2.gz XCCCTOSHWMLGKG-ZDUSSCGKSA-N 2 2 360.462 0.611 10 0 FCAELP C[NH+](C)CCOCCNC(=O)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000559601247 491485133 /nfs/dbraw/zinc/48/51/33/491485133.db2.gz YOMSUKSOXCDKME-UHFFFAOYSA-N 2 2 367.837 0.298 10 0 FCAELP 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361.486 0.675 10 0 FCAELP COC(=O)CCNC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000599088747 492134482 /nfs/dbraw/zinc/13/44/82/492134482.db2.gz MNEPIVLQDHASAE-DOTOQJQBSA-N 2 2 362.474 0.951 10 0 FCAELP COC(=O)CCNC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000599088747 492134483 /nfs/dbraw/zinc/13/44/83/492134483.db2.gz MNEPIVLQDHASAE-DOTOQJQBSA-N 2 2 362.474 0.951 10 0 FCAELP CNC(=O)C1(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCC1 ZINC000607944710 492154089 /nfs/dbraw/zinc/15/40/89/492154089.db2.gz CKABTMXDQJOJCM-UHFFFAOYSA-N 2 2 350.507 0.969 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000617768221 492190523 /nfs/dbraw/zinc/19/05/23/492190523.db2.gz UTVSNUZWQHFMIR-UHFFFAOYSA-N 2 2 367.494 0.241 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000617768221 492190526 /nfs/dbraw/zinc/19/05/26/492190526.db2.gz UTVSNUZWQHFMIR-UHFFFAOYSA-N 2 2 367.494 0.241 10 0 FCAELP C[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)n1nnc(-c2ccccc2)n1 ZINC000617766568 492190640 /nfs/dbraw/zinc/19/06/40/492190640.db2.gz PQBCMFMKNYVULT-HNNXBMFYSA-N 2 2 359.478 0.901 10 0 FCAELP C[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1nnc(-c2ccccc2)n1 ZINC000617766568 492190642 /nfs/dbraw/zinc/19/06/42/492190642.db2.gz PQBCMFMKNYVULT-HNNXBMFYSA-N 2 2 359.478 0.901 10 0 FCAELP CN(CC1C[NH+](C)C1)C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000618192110 492214945 /nfs/dbraw/zinc/21/49/45/492214945.db2.gz BEYZGSDLWXYDDP-UHFFFAOYSA-N 2 2 359.474 0.530 10 0 FCAELP Cc1[nH+]ccn1CC(=O)NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000619941459 492283507 /nfs/dbraw/zinc/28/35/07/492283507.db2.gz LFEYAMSFOJVQDV-LJQANCHMSA-N 2 2 358.442 0.571 10 0 FCAELP Cc1[nH+]ccn1CC(=O)NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000619941459 492283510 /nfs/dbraw/zinc/28/35/10/492283510.db2.gz LFEYAMSFOJVQDV-LJQANCHMSA-N 2 2 358.442 0.571 10 0 FCAELP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000647473856 492292636 /nfs/dbraw/zinc/29/26/36/492292636.db2.gz SOKAIQAEVNCQLV-OAHLLOKOSA-N 2 2 362.478 1.012 10 0 FCAELP C[C@H](CNC(=O)NCC(C)(C)[NH+]1CCOCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654350117 492293543 /nfs/dbraw/zinc/29/35/43/492293543.db2.gz ZCBZYLUBGCCQHP-OAGGEKHMSA-N 2 2 356.511 0.894 10 0 FCAELP C[C@H](CNC(=O)NCC(C)(C)[NH+]1CCOCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654350117 492293545 /nfs/dbraw/zinc/29/35/45/492293545.db2.gz ZCBZYLUBGCCQHP-OAGGEKHMSA-N 2 2 356.511 0.894 10 0 FCAELP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000654396949 492298657 /nfs/dbraw/zinc/29/86/57/492298657.db2.gz ONPJHYBFZRNQRP-HLLBOEOZSA-N 2 2 356.536 0.834 10 0 FCAELP O=C(NCc1ccc[nH+]c1N1CCCC1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627446534 492299405 /nfs/dbraw/zinc/29/94/05/492299405.db2.gz OUYMAIVFNMVMBT-HNNXBMFYSA-N 2 2 357.458 0.699 10 0 FCAELP C[C@H](CNC(=O)NCC[N@@H+]1CCOCC1(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654426030 492300962 /nfs/dbraw/zinc/30/09/62/492300962.db2.gz DQDUMDMNHALPCQ-OAGGEKHMSA-N 2 2 356.511 0.894 10 0 FCAELP C[C@H](CNC(=O)NCC[N@H+]1CCOCC1(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654426030 492300964 /nfs/dbraw/zinc/30/09/64/492300964.db2.gz DQDUMDMNHALPCQ-OAGGEKHMSA-N 2 2 356.511 0.894 10 0 FCAELP C[C@H](CNC(=O)NCC[NH+]1CCOCC1(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654426030 492300967 /nfs/dbraw/zinc/30/09/67/492300967.db2.gz DQDUMDMNHALPCQ-OAGGEKHMSA-N 2 2 356.511 0.894 10 0 FCAELP C[C@H](CNC(=O)NCC[NH+]1CCOCC1(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654426030 492300969 /nfs/dbraw/zinc/30/09/69/492300969.db2.gz DQDUMDMNHALPCQ-OAGGEKHMSA-N 2 2 356.511 0.894 10 0 FCAELP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)NCC3([NH3+])CCOCC3)CC2)c1 ZINC000627453795 492301401 /nfs/dbraw/zinc/30/14/01/492301401.db2.gz XPPMUIHNOWNQTB-UHFFFAOYSA-N 2 2 374.485 0.263 10 0 FCAELP C[C@H]([C@H](C)NC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC000654431000 492301930 /nfs/dbraw/zinc/30/19/30/492301930.db2.gz VJYIEVVYDQMEHT-ZOFXXKQRSA-N 2 2 356.511 0.893 10 0 FCAELP C[C@H]([C@H](C)NC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC000654431000 492301932 /nfs/dbraw/zinc/30/19/32/492301932.db2.gz VJYIEVVYDQMEHT-ZOFXXKQRSA-N 2 2 356.511 0.893 10 0 FCAELP C[C@@H](CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654651004 492330829 /nfs/dbraw/zinc/33/08/29/492330829.db2.gz RUFJGSOGHWMVQP-WNRNVDISSA-N 2 2 368.522 0.848 10 0 FCAELP C[C@@H](CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654651004 492330832 /nfs/dbraw/zinc/33/08/32/492330832.db2.gz RUFJGSOGHWMVQP-WNRNVDISSA-N 2 2 368.522 0.848 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]C[C@H](O)C[C@](C)(O)C2CC2)C1=O ZINC000634711152 492362693 /nfs/dbraw/zinc/36/26/93/492362693.db2.gz KLHFNGATSKHOOQ-VKJFTORMSA-N 2 2 350.463 0.413 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCO[C@@H](C(F)F)CC2)C1 ZINC000634750299 492366318 /nfs/dbraw/zinc/36/63/18/492366318.db2.gz SVJXTZCLHPOMOP-HUUCEWRRSA-N 2 2 363.449 0.815 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCO[C@@H](C(F)F)CC2)C1 ZINC000634750299 492366323 /nfs/dbraw/zinc/36/63/23/492366323.db2.gz SVJXTZCLHPOMOP-HUUCEWRRSA-N 2 2 363.449 0.815 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCO[C@@H](C(F)F)CC2)C1 ZINC000634750299 492366326 /nfs/dbraw/zinc/36/63/26/492366326.db2.gz SVJXTZCLHPOMOP-HUUCEWRRSA-N 2 2 363.449 0.815 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCO[C@@H](C(F)F)CC2)C1 ZINC000634750299 492366330 /nfs/dbraw/zinc/36/63/30/492366330.db2.gz SVJXTZCLHPOMOP-HUUCEWRRSA-N 2 2 363.449 0.815 10 0 FCAELP CC1(C)C[NH2+]CC[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000634760338 492367639 /nfs/dbraw/zinc/36/76/39/492367639.db2.gz BSAKZOVPWJCIEX-HOTGVXAUSA-N 2 2 366.506 0.062 10 0 FCAELP C[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)C(=O)N1CCCCC1 ZINC000647904120 492381087 /nfs/dbraw/zinc/38/10/87/492381087.db2.gz WZCXPEUEBFYUEN-YESZJQIVSA-N 2 2 350.507 0.968 10 0 FCAELP C[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)C(=O)N1CCCCC1 ZINC000647904120 492381091 /nfs/dbraw/zinc/38/10/91/492381091.db2.gz WZCXPEUEBFYUEN-YESZJQIVSA-N 2 2 350.507 0.968 10 0 FCAELP CC(C)[C@H]1CN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC[NH2+]1 ZINC000642781368 492390149 /nfs/dbraw/zinc/39/01/49/492390149.db2.gz XQUYCPYTCLWXHX-MRXNPFEDSA-N 2 2 359.474 0.623 10 0 FCAELP O=C(NCC[NH2+]C1CC1)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000642919101 492404107 /nfs/dbraw/zinc/40/41/07/492404107.db2.gz OGAIVZIVVVREQJ-AWEZNQCLSA-N 2 2 359.474 0.794 10 0 FCAELP O=C(C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000643509211 492484772 /nfs/dbraw/zinc/48/47/72/492484772.db2.gz HKGVNAQUGUKZOG-IXDOHACOSA-N 2 2 364.490 0.053 10 0 FCAELP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000649076235 492491900 /nfs/dbraw/zinc/49/19/00/492491900.db2.gz SOKNNVDZHXKCDM-INIZCTEOSA-N 2 2 374.485 0.711 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000643541394 492494436 /nfs/dbraw/zinc/49/44/36/492494436.db2.gz FCJRAJXZQYLAEA-CVEARBPZSA-N 2 2 357.458 0.249 10 0 FCAELP C[C@@H](C(=O)NC[C@]1(CO)COCC2(CCC2)[NH+]1C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000628577573 492521462 /nfs/dbraw/zinc/52/14/62/492521462.db2.gz TUOLEIVRJHMKBO-RCJHGTSTSA-N 2 2 353.507 0.980 10 0 FCAELP C[C@@H](C(=O)NC[C@]1(CO)COCC2(CCC2)[NH+]1C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000628577573 492521467 /nfs/dbraw/zinc/52/14/67/492521467.db2.gz TUOLEIVRJHMKBO-RCJHGTSTSA-N 2 2 353.507 0.980 10 0 FCAELP C[C@@H](C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000628577573 492521471 /nfs/dbraw/zinc/52/14/71/492521471.db2.gz TUOLEIVRJHMKBO-RCJHGTSTSA-N 2 2 353.507 0.980 10 0 FCAELP C[C@@H](C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000628577573 492521473 /nfs/dbraw/zinc/52/14/73/492521473.db2.gz TUOLEIVRJHMKBO-RCJHGTSTSA-N 2 2 353.507 0.980 10 0 FCAELP CC[NH2+]CC1CCN(C(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656040574 492522284 /nfs/dbraw/zinc/52/22/84/492522284.db2.gz LODYGTSAMBSVCD-HRCADAONSA-N 2 2 368.522 0.448 10 0 FCAELP CC[NH2+]CC1CCN(C(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656040574 492522289 /nfs/dbraw/zinc/52/22/89/492522289.db2.gz LODYGTSAMBSVCD-HRCADAONSA-N 2 2 368.522 0.448 10 0 FCAELP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656043099 492523443 /nfs/dbraw/zinc/52/34/43/492523443.db2.gz ZKKDWVCPXVIZMG-JONQDZQNSA-N 2 2 356.511 0.432 10 0 FCAELP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656043099 492523447 /nfs/dbraw/zinc/52/34/47/492523447.db2.gz ZKKDWVCPXVIZMG-JONQDZQNSA-N 2 2 356.511 0.432 10 0 FCAELP C[C@H](CNC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656043091 492524037 /nfs/dbraw/zinc/52/40/37/492524037.db2.gz ZANJSZZBTXTWBH-KBXIAJHMSA-N 2 2 354.495 0.186 10 0 FCAELP C[C@H](CNC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656043091 492524040 /nfs/dbraw/zinc/52/40/40/492524040.db2.gz ZANJSZZBTXTWBH-KBXIAJHMSA-N 2 2 354.495 0.186 10 0 FCAELP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000656070029 492531871 /nfs/dbraw/zinc/53/18/71/492531871.db2.gz XMMZAYXFBPNARP-YESZJQIVSA-N 2 2 366.506 0.156 10 0 FCAELP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656082916 492543665 /nfs/dbraw/zinc/54/36/65/492543665.db2.gz XHKXCEUDELNQSC-GASCZTMLSA-N 2 2 354.495 0.012 10 0 FCAELP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656082916 492543668 /nfs/dbraw/zinc/54/36/68/492543668.db2.gz XHKXCEUDELNQSC-GASCZTMLSA-N 2 2 354.495 0.012 10 0 FCAELP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000623394074 492550039 /nfs/dbraw/zinc/55/00/39/492550039.db2.gz YOAQLSRFBMYBJR-KRWDZBQOSA-N 2 2 362.474 0.901 10 0 FCAELP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000623394074 492550041 /nfs/dbraw/zinc/55/00/41/492550041.db2.gz YOAQLSRFBMYBJR-KRWDZBQOSA-N 2 2 362.474 0.901 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)C1 ZINC000649418773 492553409 /nfs/dbraw/zinc/55/34/09/492553409.db2.gz DVMGRNXGPGECAH-IPMKNSEASA-N 3 2 366.550 0.923 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)C1 ZINC000649418773 492553411 /nfs/dbraw/zinc/55/34/11/492553411.db2.gz DVMGRNXGPGECAH-IPMKNSEASA-N 3 2 366.550 0.923 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)C1 ZINC000649418773 492553414 /nfs/dbraw/zinc/55/34/14/492553414.db2.gz DVMGRNXGPGECAH-IPMKNSEASA-N 3 2 366.550 0.923 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)C1 ZINC000649418773 492553418 /nfs/dbraw/zinc/55/34/18/492553418.db2.gz DVMGRNXGPGECAH-IPMKNSEASA-N 3 2 366.550 0.923 10 0 FCAELP C[NH+](C)CCN1CC[N@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1=O ZINC000649685048 492570613 /nfs/dbraw/zinc/57/06/13/492570613.db2.gz MCIORINSUUJHLO-KRWDZBQOSA-N 2 2 358.486 0.855 10 0 FCAELP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1=O ZINC000649685048 492570617 /nfs/dbraw/zinc/57/06/17/492570617.db2.gz MCIORINSUUJHLO-KRWDZBQOSA-N 2 2 358.486 0.855 10 0 FCAELP CSc1ccc(OC[C@@H](O)C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000649685030 492571144 /nfs/dbraw/zinc/57/11/44/492571144.db2.gz LLZHQMXTXQVWGI-HNNXBMFYSA-N 2 2 367.515 0.854 10 0 FCAELP CSc1ccc(OC[C@@H](O)C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000649685030 492571149 /nfs/dbraw/zinc/57/11/49/492571149.db2.gz LLZHQMXTXQVWGI-HNNXBMFYSA-N 2 2 367.515 0.854 10 0 FCAELP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000656290094 492572793 /nfs/dbraw/zinc/57/27/93/492572793.db2.gz ZORHMSRVQGDZEC-IYBDPMFKSA-N 2 2 359.474 0.754 10 0 FCAELP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000656298612 492576012 /nfs/dbraw/zinc/57/60/12/492576012.db2.gz QSMMJVDXWDNVLF-FZNQNYSPSA-N 2 2 359.474 0.623 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656298101 492576226 /nfs/dbraw/zinc/57/62/26/492576226.db2.gz MACLUHDVFHAVIZ-UHDSXZAQSA-N 2 2 366.506 0.343 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656298101 492576231 /nfs/dbraw/zinc/57/62/31/492576231.db2.gz MACLUHDVFHAVIZ-UHDSXZAQSA-N 2 2 366.506 0.343 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656298101 492576234 /nfs/dbraw/zinc/57/62/34/492576234.db2.gz MACLUHDVFHAVIZ-UHDSXZAQSA-N 2 2 366.506 0.343 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656298101 492576238 /nfs/dbraw/zinc/57/62/38/492576238.db2.gz MACLUHDVFHAVIZ-UHDSXZAQSA-N 2 2 366.506 0.343 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656298098 492576307 /nfs/dbraw/zinc/57/63/07/492576307.db2.gz MACLUHDVFHAVIZ-NQNKBUKLSA-N 2 2 366.506 0.343 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656298098 492576312 /nfs/dbraw/zinc/57/63/12/492576312.db2.gz MACLUHDVFHAVIZ-NQNKBUKLSA-N 2 2 366.506 0.343 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656298098 492576314 /nfs/dbraw/zinc/57/63/14/492576314.db2.gz MACLUHDVFHAVIZ-NQNKBUKLSA-N 2 2 366.506 0.343 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656298098 492576318 /nfs/dbraw/zinc/57/63/18/492576318.db2.gz MACLUHDVFHAVIZ-NQNKBUKLSA-N 2 2 366.506 0.343 10 0 FCAELP CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656306113 492581323 /nfs/dbraw/zinc/58/13/23/492581323.db2.gz HRTFOVBCVXCMCL-HRCADAONSA-N 2 2 356.511 0.448 10 0 FCAELP CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656306113 492581327 /nfs/dbraw/zinc/58/13/27/492581327.db2.gz HRTFOVBCVXCMCL-HRCADAONSA-N 2 2 356.511 0.448 10 0 FCAELP CCCC[NH+](C)CCNC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656306113 492581331 /nfs/dbraw/zinc/58/13/31/492581331.db2.gz HRTFOVBCVXCMCL-HRCADAONSA-N 2 2 356.511 0.448 10 0 FCAELP CCCC[NH+](C)CCNC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656306113 492581333 /nfs/dbraw/zinc/58/13/33/492581333.db2.gz HRTFOVBCVXCMCL-HRCADAONSA-N 2 2 356.511 0.448 10 0 FCAELP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000656316450 492588659 /nfs/dbraw/zinc/58/86/59/492588659.db2.gz RWCLXPPYARIYHW-TWMKSMIVSA-N 2 2 366.506 0.202 10 0 FCAELP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656337671 492600947 /nfs/dbraw/zinc/60/09/47/492600947.db2.gz WHQSAFAHPRFWBS-QXSJWSMHSA-N 2 2 356.511 0.447 10 0 FCAELP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656337671 492600950 /nfs/dbraw/zinc/60/09/50/492600950.db2.gz WHQSAFAHPRFWBS-QXSJWSMHSA-N 2 2 356.511 0.447 10 0 FCAELP C[N@@H+]1CCOC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000623873503 492603153 /nfs/dbraw/zinc/60/31/53/492603153.db2.gz JNJJKUUTJNCKHC-MSOLQXFVSA-N 2 2 362.474 0.383 10 0 FCAELP C[N@H+]1CCOC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000623873503 492603157 /nfs/dbraw/zinc/60/31/57/492603157.db2.gz JNJJKUUTJNCKHC-MSOLQXFVSA-N 2 2 362.474 0.383 10 0 FCAELP C[NH+]1CCOC[C@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000623873503 492603162 /nfs/dbraw/zinc/60/31/62/492603162.db2.gz JNJJKUUTJNCKHC-MSOLQXFVSA-N 2 2 362.474 0.383 10 0 FCAELP C[NH+]1CCOC[C@H]1CNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000623873503 492603166 /nfs/dbraw/zinc/60/31/66/492603166.db2.gz JNJJKUUTJNCKHC-MSOLQXFVSA-N 2 2 362.474 0.383 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000629437217 492630311 /nfs/dbraw/zinc/63/03/11/492630311.db2.gz IQFLBELZBKFWCD-WMZOPIPTSA-N 2 2 362.474 0.367 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000629437217 492630317 /nfs/dbraw/zinc/63/03/17/492630317.db2.gz IQFLBELZBKFWCD-WMZOPIPTSA-N 2 2 362.474 0.367 10 0 FCAELP CC[NH+]1CCN(CC(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)CC1 ZINC000629440636 492631873 /nfs/dbraw/zinc/63/18/73/492631873.db2.gz QNTFTMVRDZNDEQ-SFHVURJKSA-N 2 2 361.490 0.036 10 0 FCAELP CC[NH+]1CCN(CC(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)CC1 ZINC000629440636 492631875 /nfs/dbraw/zinc/63/18/75/492631875.db2.gz QNTFTMVRDZNDEQ-SFHVURJKSA-N 2 2 361.490 0.036 10 0 FCAELP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563855 492645339 /nfs/dbraw/zinc/64/53/39/492645339.db2.gz RTFNIBRWTXKAIY-NQBHXWOUSA-N 2 2 364.412 0.571 10 0 FCAELP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563855 492645341 /nfs/dbraw/zinc/64/53/41/492645341.db2.gz RTFNIBRWTXKAIY-NQBHXWOUSA-N 2 2 364.412 0.571 10 0 FCAELP COc1cc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)ccc1OCC(=O)N1CCOCC1 ZINC000629672574 492662311 /nfs/dbraw/zinc/66/23/11/492662311.db2.gz PIMKFHJFVQUPRT-GOEBONIOSA-N 2 2 363.458 0.773 10 0 FCAELP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC[C@@H]1C(F)(F)F ZINC000629788500 492672819 /nfs/dbraw/zinc/67/28/19/492672819.db2.gz QSSJWRUPXMVJQR-AAEUAGOBSA-N 2 2 362.396 0.279 10 0 FCAELP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000624736346 492676556 /nfs/dbraw/zinc/67/65/56/492676556.db2.gz GPTCGNORLRVIJQ-INIZCTEOSA-N 2 2 354.495 0.603 10 0 FCAELP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000624736346 492676559 /nfs/dbraw/zinc/67/65/59/492676559.db2.gz GPTCGNORLRVIJQ-INIZCTEOSA-N 2 2 354.495 0.603 10 0 FCAELP C[N@@H+]1CCOC[C@H]1CNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000624738853 492677803 /nfs/dbraw/zinc/67/78/03/492677803.db2.gz NQEVCKRUZBGJHC-OAHLLOKOSA-N 2 2 356.536 0.978 10 0 FCAELP C[N@H+]1CCOC[C@H]1CNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000624738853 492677807 /nfs/dbraw/zinc/67/78/07/492677807.db2.gz NQEVCKRUZBGJHC-OAHLLOKOSA-N 2 2 356.536 0.978 10 0 FCAELP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N1CC[C@@H](Oc3cc[nH+]cc3)C1)C2 ZINC000629799201 492677860 /nfs/dbraw/zinc/67/78/60/492677860.db2.gz OYJDAHRSMAPUMG-LZQZEXGQSA-N 2 2 358.442 0.519 10 0 FCAELP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000624737756 492678722 /nfs/dbraw/zinc/67/87/22/492678722.db2.gz PNCLXGXFWYHZKE-OAHLLOKOSA-N 2 2 352.504 0.948 10 0 FCAELP C[N@H+]1CCOC[C@H]1CNC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000624737756 492678723 /nfs/dbraw/zinc/67/87/23/492678723.db2.gz PNCLXGXFWYHZKE-OAHLLOKOSA-N 2 2 352.504 0.948 10 0 FCAELP Cn1nccc1[C@@H]1COCCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000650994891 492692721 /nfs/dbraw/zinc/69/27/21/492692721.db2.gz VKYHARCDDXGKPL-KRWDZBQOSA-N 2 2 364.494 0.529 10 0 FCAELP C[C@@H]1CCCc2nc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)cn21 ZINC000657090283 492714768 /nfs/dbraw/zinc/71/47/68/492714768.db2.gz BFGHVKQNFZGQCB-CQSZACIVSA-N 2 2 357.524 0.942 10 0 FCAELP C[C@@H]1CCCc2nc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)cn21 ZINC000657090283 492714769 /nfs/dbraw/zinc/71/47/69/492714769.db2.gz BFGHVKQNFZGQCB-CQSZACIVSA-N 2 2 357.524 0.942 10 0 FCAELP Cn1nnc2cc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc21 ZINC000657091300 492715218 /nfs/dbraw/zinc/71/52/18/492715218.db2.gz MAZRDMQFJSPCLJ-UHFFFAOYSA-N 2 2 354.480 0.130 10 0 FCAELP Cn1nnc2cc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc21 ZINC000657091300 492715222 /nfs/dbraw/zinc/71/52/22/492715222.db2.gz MAZRDMQFJSPCLJ-UHFFFAOYSA-N 2 2 354.480 0.130 10 0 FCAELP Cn1c2ccc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)cc2oc1=O ZINC000657093293 492716157 /nfs/dbraw/zinc/71/61/57/492716157.db2.gz WCMOBTALHKYVGZ-UHFFFAOYSA-N 2 2 370.475 0.293 10 0 FCAELP Cn1c2ccc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc2oc1=O ZINC000657093293 492716159 /nfs/dbraw/zinc/71/61/59/492716159.db2.gz WCMOBTALHKYVGZ-UHFFFAOYSA-N 2 2 370.475 0.293 10 0 FCAELP COCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000625376756 492767753 /nfs/dbraw/zinc/76/77/53/492767753.db2.gz NOEQAZHVWGRBPY-KRWDZBQOSA-N 2 2 366.506 0.300 10 0 FCAELP COCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000625376756 492767757 /nfs/dbraw/zinc/76/77/57/492767757.db2.gz NOEQAZHVWGRBPY-KRWDZBQOSA-N 2 2 366.506 0.300 10 0 FCAELP CC(C)[C@H](C[NH2+]Cc1cn(C[C@H]2CCOC2)nn1)N1CC[NH+](C)CC1 ZINC000631038629 492793505 /nfs/dbraw/zinc/79/35/05/492793505.db2.gz FAHWXKNUHDTWMU-AEFFLSMTSA-N 2 2 350.511 0.676 10 0 FCAELP C[N@H+]1C[C@H]2[C@@H](CCN2CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000644730076 492802775 /nfs/dbraw/zinc/80/27/75/492802775.db2.gz UCZIBWMKVIHMFX-PMACEKPBSA-N 2 2 372.513 0.771 10 0 FCAELP C[N@@H+]1C[C@H]2[C@@H](CCN2CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000644730076 492802777 /nfs/dbraw/zinc/80/27/77/492802777.db2.gz UCZIBWMKVIHMFX-PMACEKPBSA-N 2 2 372.513 0.771 10 0 FCAELP C[N@@H+]1C[C@H]2CCN(CC(=O)NCc3ccccc3C[NH+]3CCOCC3)[C@@H]2C1 ZINC000644730209 492803292 /nfs/dbraw/zinc/80/32/92/492803292.db2.gz UCZIBWMKVIHMFX-WOJBJXKFSA-N 2 2 372.513 0.771 10 0 FCAELP C[N@H+]1C[C@H]2CCN(CC(=O)NCc3ccccc3C[NH+]3CCOCC3)[C@@H]2C1 ZINC000644730209 492803297 /nfs/dbraw/zinc/80/32/97/492803297.db2.gz UCZIBWMKVIHMFX-WOJBJXKFSA-N 2 2 372.513 0.771 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CNC(=O)c4ccccc43)C2)CC1 ZINC000625522175 492809796 /nfs/dbraw/zinc/80/97/96/492809796.db2.gz LNOOCCRAVWUUAU-KBXCAEBGSA-N 2 2 356.470 0.798 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CNC(=O)c4ccccc43)C2)CC1 ZINC000625522175 492809798 /nfs/dbraw/zinc/80/97/98/492809798.db2.gz LNOOCCRAVWUUAU-KBXCAEBGSA-N 2 2 356.470 0.798 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CNC(=O)c2ccccc21 ZINC000625560019 492820127 /nfs/dbraw/zinc/82/01/27/492820127.db2.gz HBTKEZBBBAFQTH-SFHVURJKSA-N 2 2 358.486 0.998 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CNC(=O)c2ccccc21 ZINC000625560019 492820131 /nfs/dbraw/zinc/82/01/31/492820131.db2.gz HBTKEZBBBAFQTH-SFHVURJKSA-N 2 2 358.486 0.998 10 0 FCAELP C[NH+]1CCC(CNC(=O)C2(N3CCOCC3)CC2)([NH+]2CCCCC2)CC1 ZINC000631528972 492822745 /nfs/dbraw/zinc/82/27/45/492822745.db2.gz CJMCTKSVCXLSPE-UHFFFAOYSA-N 2 2 364.534 0.918 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000625570844 492823314 /nfs/dbraw/zinc/82/33/14/492823314.db2.gz PXGVOXHMWAVQEF-WBVHZDCISA-N 2 2 366.506 0.299 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000625570844 492823317 /nfs/dbraw/zinc/82/33/17/492823317.db2.gz PXGVOXHMWAVQEF-WBVHZDCISA-N 2 2 366.506 0.299 10 0 FCAELP C[NH+](C)[C@@H](CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)Cc1ccccc1 ZINC000631664400 492831650 /nfs/dbraw/zinc/83/16/50/492831650.db2.gz SJOMUSIVBVHNAI-SJORKVTESA-N 2 2 355.504 0.409 10 0 FCAELP C[NH+](C)[C@@H](CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)Cc1ccccc1 ZINC000631664400 492831653 /nfs/dbraw/zinc/83/16/53/492831653.db2.gz SJOMUSIVBVHNAI-SJORKVTESA-N 2 2 355.504 0.409 10 0 FCAELP C[NH+](C)[C@@H](CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)c1cccc(F)c1 ZINC000631664707 492832708 /nfs/dbraw/zinc/83/27/08/492832708.db2.gz UGOUWDWSSQLYNT-CVEARBPZSA-N 2 2 359.467 0.678 10 0 FCAELP C[NH+](C)[C@@H](CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)c1cccc(F)c1 ZINC000631664707 492832711 /nfs/dbraw/zinc/83/27/11/492832711.db2.gz UGOUWDWSSQLYNT-CVEARBPZSA-N 2 2 359.467 0.678 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc2ncnn2c1 ZINC000658339223 492861607 /nfs/dbraw/zinc/86/16/07/492861607.db2.gz PIHKXTNICAQNBY-ZDUSSCGKSA-N 2 2 361.450 0.056 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc2ncnn2c1 ZINC000658339223 492861613 /nfs/dbraw/zinc/86/16/13/492861613.db2.gz PIHKXTNICAQNBY-ZDUSSCGKSA-N 2 2 361.450 0.056 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1c2c(nn1C)CCC2 ZINC000658335976 492862086 /nfs/dbraw/zinc/86/20/86/492862086.db2.gz KPEQNKIUWKPMCR-ZDUSSCGKSA-N 2 2 364.494 0.236 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1c2c(nn1C)CCC2 ZINC000658335976 492862087 /nfs/dbraw/zinc/86/20/87/492862087.db2.gz KPEQNKIUWKPMCR-ZDUSSCGKSA-N 2 2 364.494 0.236 10 0 FCAELP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000645162429 492874169 /nfs/dbraw/zinc/87/41/69/492874169.db2.gz KTJXFBNQXJOLNU-OAHLLOKOSA-N 2 2 374.489 0.812 10 0 FCAELP Cn1cc[nH+]c1CN1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000631908548 492874423 /nfs/dbraw/zinc/87/44/23/492874423.db2.gz SAAOAWZNBYREHU-UHFFFAOYSA-N 2 2 355.508 0.353 10 0 FCAELP C[NH+](C)[C@@H](CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)c1ccccc1Cl ZINC000631909373 492875604 /nfs/dbraw/zinc/87/56/04/492875604.db2.gz CLTIVXNBOCDGRJ-WFASDCNBSA-N 2 2 361.895 0.851 10 0 FCAELP COc1ccccc1C[NH+]1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000631917642 492883944 /nfs/dbraw/zinc/88/39/44/492883944.db2.gz MWZKXCQZICOXDT-MRXNPFEDSA-N 2 2 369.487 0.131 10 0 FCAELP Cc1nn(C)c2cc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc12 ZINC000658427399 492885988 /nfs/dbraw/zinc/88/59/88/492885988.db2.gz COMTXZIVGSPZMX-UHFFFAOYSA-N 2 2 374.489 0.820 10 0 FCAELP Cc1nn(C)c2cc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc12 ZINC000658427399 492885992 /nfs/dbraw/zinc/88/59/92/492885992.db2.gz COMTXZIVGSPZMX-UHFFFAOYSA-N 2 2 374.489 0.820 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc2c1OCO2 ZINC000658428552 492887010 /nfs/dbraw/zinc/88/70/10/492887010.db2.gz LXDVKNYWUYYTDF-UHFFFAOYSA-N 2 2 350.419 0.354 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc2c1OCO2 ZINC000658428552 492887014 /nfs/dbraw/zinc/88/70/14/492887014.db2.gz LXDVKNYWUYYTDF-UHFFFAOYSA-N 2 2 350.419 0.354 10 0 FCAELP COc1ccc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(C)n1 ZINC000658429505 492887602 /nfs/dbraw/zinc/88/76/02/492887602.db2.gz ZDSBYRPAYOIJOX-UHFFFAOYSA-N 2 2 351.451 0.337 10 0 FCAELP COc1ccc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(C)n1 ZINC000658429505 492887603 /nfs/dbraw/zinc/88/76/03/492887603.db2.gz ZDSBYRPAYOIJOX-UHFFFAOYSA-N 2 2 351.451 0.337 10 0 FCAELP C[N@@H+]1CC[C@H](NS(=O)(=O)C[C@H]2C[NH2+]CCO2)[C@H]1c1ccc(Cl)cc1 ZINC000631928853 492889908 /nfs/dbraw/zinc/88/99/08/492889908.db2.gz PGPARUWSVHNCFP-OWCLPIDISA-N 2 2 373.906 0.993 10 0 FCAELP C[N@H+]1CC[C@H](NS(=O)(=O)C[C@H]2C[NH2+]CCO2)[C@H]1c1ccc(Cl)cc1 ZINC000631928853 492889913 /nfs/dbraw/zinc/88/99/13/492889913.db2.gz PGPARUWSVHNCFP-OWCLPIDISA-N 2 2 373.906 0.993 10 0 FCAELP CCOC1CC(CNC(=O)NCCC2(C[NH3+])CC2)([NH+]2CCOCC2)C1 ZINC000652182951 492891689 /nfs/dbraw/zinc/89/16/89/492891689.db2.gz IUIJEYHRYZKTNH-UHFFFAOYSA-N 2 2 354.495 0.685 10 0 FCAELP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000645335872 492894391 /nfs/dbraw/zinc/89/43/91/492894391.db2.gz MLAMBCXCYBCNIZ-OAHLLOKOSA-N 2 2 359.430 0.808 10 0 FCAELP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000645335872 492894393 /nfs/dbraw/zinc/89/43/93/492894393.db2.gz MLAMBCXCYBCNIZ-OAHLLOKOSA-N 2 2 359.430 0.808 10 0 FCAELP C[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1=O ZINC000638080789 492900652 /nfs/dbraw/zinc/90/06/52/492900652.db2.gz QUNURVLROGHDOH-SJLPKXTDSA-N 2 2 358.486 0.835 10 0 FCAELP C[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1=O ZINC000638080789 492900655 /nfs/dbraw/zinc/90/06/55/492900655.db2.gz QUNURVLROGHDOH-SJLPKXTDSA-N 2 2 358.486 0.835 10 0 FCAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[C@H](OCC[NH+]3CCOCC3)C1)CC2 ZINC000626105939 492933604 /nfs/dbraw/zinc/93/36/04/492933604.db2.gz VJQIKXDUPYSGDZ-IRXDYDNUSA-N 2 2 362.474 0.704 10 0 FCAELP C[N@@H+]1CC[C@@H](NS(=O)(=O)C[C@@H]2C[NH+](C)CCO2)[C@@H]1c1ccccc1 ZINC000632151098 492939552 /nfs/dbraw/zinc/93/95/52/492939552.db2.gz XSZGYYJHSLACPN-BBWFWOEESA-N 2 2 353.488 0.682 10 0 FCAELP C[N@H+]1CC[C@@H](NS(=O)(=O)C[C@@H]2C[NH+](C)CCO2)[C@@H]1c1ccccc1 ZINC000632151098 492939554 /nfs/dbraw/zinc/93/95/54/492939554.db2.gz XSZGYYJHSLACPN-BBWFWOEESA-N 2 2 353.488 0.682 10 0 FCAELP C[NH+]1CC[C@@H](NS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)[C@@H]1c1ccccc1 ZINC000632151098 492939558 /nfs/dbraw/zinc/93/95/58/492939558.db2.gz XSZGYYJHSLACPN-BBWFWOEESA-N 2 2 353.488 0.682 10 0 FCAELP C[NH+]1CC[C@@H](NS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)[C@@H]1c1ccccc1 ZINC000632151098 492939562 /nfs/dbraw/zinc/93/95/62/492939562.db2.gz XSZGYYJHSLACPN-BBWFWOEESA-N 2 2 353.488 0.682 10 0 FCAELP CCC[C@H]1CN(S(=O)(=O)C[C@H]2C[NH+](C)CCO2)CC[N@H+]1CCOC ZINC000632163770 492941578 /nfs/dbraw/zinc/94/15/78/492941578.db2.gz BUHCOTIUYJZVMR-JKSUJKDBSA-N 2 2 363.524 0.080 10 0 FCAELP CCC[C@H]1CN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CC[NH+]1CCOC ZINC000632163770 492941582 /nfs/dbraw/zinc/94/15/82/492941582.db2.gz BUHCOTIUYJZVMR-JKSUJKDBSA-N 2 2 363.524 0.080 10 0 FCAELP CCC[C@H]1CN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCOC ZINC000632163770 492941586 /nfs/dbraw/zinc/94/15/86/492941586.db2.gz BUHCOTIUYJZVMR-JKSUJKDBSA-N 2 2 363.524 0.080 10 0 FCAELP CCN1C(=O)CO[C@H](C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)[C@H]1c1[nH+]ccn1C ZINC000626346742 492965365 /nfs/dbraw/zinc/96/53/65/492965365.db2.gz XVURXQKBUUVTOE-SDADXPQNSA-N 2 2 363.462 0.260 10 0 FCAELP CCN1C(=O)CO[C@H](C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)[C@H]1c1[nH+]ccn1C ZINC000626346742 492965367 /nfs/dbraw/zinc/96/53/67/492965367.db2.gz XVURXQKBUUVTOE-SDADXPQNSA-N 2 2 363.462 0.260 10 0 FCAELP C[N@@H+]1CCOC[C@@H]1CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638610243 492965444 /nfs/dbraw/zinc/96/54/44/492965444.db2.gz JNZOQBPBWSUGAM-SFHVURJKSA-N 3 2 360.502 0.817 10 0 FCAELP C[N@H+]1CCOC[C@@H]1CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638610243 492965447 /nfs/dbraw/zinc/96/54/47/492965447.db2.gz JNZOQBPBWSUGAM-SFHVURJKSA-N 3 2 360.502 0.817 10 0 FCAELP C[N@@H+]1CCO[C@H](CS(=O)(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000632290769 492966863 /nfs/dbraw/zinc/96/68/63/492966863.db2.gz LDRPMNRVJJAXNW-MSOLQXFVSA-N 2 2 367.515 0.759 10 0 FCAELP C[N@H+]1CCO[C@H](CS(=O)(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000632290769 492966868 /nfs/dbraw/zinc/96/68/68/492966868.db2.gz LDRPMNRVJJAXNW-MSOLQXFVSA-N 2 2 367.515 0.759 10 0 FCAELP C[NH+]1CCO[C@H](CS(=O)(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000632290769 492966870 /nfs/dbraw/zinc/96/68/70/492966870.db2.gz LDRPMNRVJJAXNW-MSOLQXFVSA-N 2 2 367.515 0.759 10 0 FCAELP C[NH+]1CCO[C@H](CS(=O)(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000632290769 492966875 /nfs/dbraw/zinc/96/68/75/492966875.db2.gz LDRPMNRVJJAXNW-MSOLQXFVSA-N 2 2 367.515 0.759 10 0 FCAELP CN(C(=O)NCCCc1ncn(C)n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645770590 492973277 /nfs/dbraw/zinc/97/32/77/492973277.db2.gz SIHRIFQEDAUEHD-MRXNPFEDSA-N 2 2 363.510 0.558 10 0 FCAELP CN(C(=O)NCCCc1ncn(C)n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645770590 492973279 /nfs/dbraw/zinc/97/32/79/492973279.db2.gz SIHRIFQEDAUEHD-MRXNPFEDSA-N 2 2 363.510 0.558 10 0 FCAELP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000652692061 492992069 /nfs/dbraw/zinc/99/20/69/492992069.db2.gz HXMMPXLHKUFTBG-QGZVFWFLSA-N 2 2 367.453 0.812 10 0 FCAELP O=C(C[C@H]1CC[NH2+]C1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000645981724 492996064 /nfs/dbraw/zinc/99/60/64/492996064.db2.gz UBGGSWGGQHHSHG-HZPDHXFCSA-N 2 2 374.489 0.398 10 0 FCAELP O=C(C[C@H]1CC[NH2+]C1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000645981724 492996066 /nfs/dbraw/zinc/99/60/66/492996066.db2.gz UBGGSWGGQHHSHG-HZPDHXFCSA-N 2 2 374.489 0.398 10 0 FCAELP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000652720457 493002696 /nfs/dbraw/zinc/00/26/96/493002696.db2.gz FGOQZWWISHAIJL-INIZCTEOSA-N 2 2 355.442 0.772 10 0 FCAELP O=C(NCCC1CC[NH2+]CC1)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000652723060 493003321 /nfs/dbraw/zinc/00/33/21/493003321.db2.gz KDCCVFMCLWVTHQ-KRWDZBQOSA-N 2 2 366.506 0.206 10 0 FCAELP O=C(NCCNc1ccc2ccccc2[nH+]1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000646033651 493003806 /nfs/dbraw/zinc/00/38/06/493003806.db2.gz NEMTXFPNHYVSNP-MQVJKMGUSA-N 2 2 352.438 1.578 10 0 FCAELP CCN1C(=O)CO[C@H](C(=O)NCC[N@H+]2CC=CCC2)[C@H]1c1[nH+]ccn1C ZINC000626758619 493014042 /nfs/dbraw/zinc/01/40/42/493014042.db2.gz QYDNLKNWYSLZHP-HOTGVXAUSA-N 2 2 361.446 0.087 10 0 FCAELP CCN1C(=O)CO[C@H](C(=O)NCC[N@@H+]2CC=CCC2)[C@H]1c1[nH+]ccn1C ZINC000626758619 493014043 /nfs/dbraw/zinc/01/40/43/493014043.db2.gz QYDNLKNWYSLZHP-HOTGVXAUSA-N 2 2 361.446 0.087 10 0 FCAELP c1nc2n(n1)[C@H](C[NH+]1CCN(c3cc(N4CCOCC4)[nH+]cn3)CC1)CC2 ZINC000639497786 493014947 /nfs/dbraw/zinc/01/49/47/493014947.db2.gz SXBQMBYMPHLMML-HNNXBMFYSA-N 2 2 370.461 0.214 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626793176 493019821 /nfs/dbraw/zinc/01/98/21/493019821.db2.gz XJJSBJORIXWMMD-UHFFFAOYSA-N 2 2 369.425 0.885 10 0 FCAELP C[NH+](C)CCCS(=O)(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000632573501 493031864 /nfs/dbraw/zinc/03/18/64/493031864.db2.gz CKMYOFVGWUWBQW-SFHVURJKSA-N 2 2 368.547 0.674 10 0 FCAELP C[NH+](C)CCCS(=O)(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000632573501 493031865 /nfs/dbraw/zinc/03/18/65/493031865.db2.gz CKMYOFVGWUWBQW-SFHVURJKSA-N 2 2 368.547 0.674 10 0 FCAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000626866175 493040754 /nfs/dbraw/zinc/04/07/54/493040754.db2.gz LFCREVGHLWQAOM-DOTOQJQBSA-N 2 2 360.458 0.714 10 0 FCAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000626889158 493051577 /nfs/dbraw/zinc/05/15/77/493051577.db2.gz ASCLXYUQWKJWON-OCCSQVGLSA-N 2 2 361.446 0.422 10 0 FCAELP C[NH2+]CCOCCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000626921591 493063993 /nfs/dbraw/zinc/06/39/93/493063993.db2.gz DMHZFKRFAIBFIN-HNNXBMFYSA-N 2 2 369.535 0.572 10 0 FCAELP C[NH2+]CCOCCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000626925244 493065065 /nfs/dbraw/zinc/06/50/65/493065065.db2.gz ILOASSGTMYSBGP-KRWDZBQOSA-N 2 2 350.463 0.595 10 0 FCAELP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000653072335 493066141 /nfs/dbraw/zinc/06/61/41/493066141.db2.gz OFRCYODQMHVOBD-OAHLLOKOSA-N 2 2 354.401 0.528 10 0 FCAELP C[NH2+]CCOCCNC(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000626934368 493066329 /nfs/dbraw/zinc/06/63/29/493066329.db2.gz YAWWRGKRLZLUGX-GOSISDBHSA-N 2 2 364.490 0.904 10 0 FCAELP C[NH2+]CCOCCN(C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000626936809 493067455 /nfs/dbraw/zinc/06/74/55/493067455.db2.gz LRHDZAUPJRQSJG-SFHVURJKSA-N 2 2 364.490 0.937 10 0 FCAELP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000626946773 493069087 /nfs/dbraw/zinc/06/90/87/493069087.db2.gz ZXTBZAAMWCZRPV-HOCLYGCPSA-N 2 2 354.520 0.778 10 0 FCAELP CCN(C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000658828387 493076338 /nfs/dbraw/zinc/07/63/38/493076338.db2.gz CUMKNVHGBXLKDM-INIZCTEOSA-N 2 2 359.474 0.673 10 0 FCAELP CCN(C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000658828387 493076343 /nfs/dbraw/zinc/07/63/43/493076343.db2.gz CUMKNVHGBXLKDM-INIZCTEOSA-N 2 2 359.474 0.673 10 0 FCAELP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CC[NH+](CCOC)CC2)CC1 ZINC000632724771 493077734 /nfs/dbraw/zinc/07/77/34/493077734.db2.gz RQCIWLNZPKEXPI-UHFFFAOYSA-N 2 2 354.495 0.110 10 0 FCAELP CCOC1CC(CNC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)([NH+]2CCOCC2)C1 ZINC000627020194 493081881 /nfs/dbraw/zinc/08/18/81/493081881.db2.gz BPMYRZGNZYNCOE-LCMLCXGQSA-N 2 2 354.495 0.696 10 0 FCAELP C[NH2+]CCOCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000627174598 493101128 /nfs/dbraw/zinc/10/11/28/493101128.db2.gz LXDAAGNNLBRTPE-SJPCQFCGSA-N 3 2 353.511 0.175 10 0 FCAELP C[NH2+]CCOCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000627174598 493101131 /nfs/dbraw/zinc/10/11/31/493101131.db2.gz LXDAAGNNLBRTPE-SJPCQFCGSA-N 3 2 353.511 0.175 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)ccc2[nH+]1 ZINC000658902842 493106860 /nfs/dbraw/zinc/10/68/60/493106860.db2.gz GXCLLOFOCXLCPY-MRXNPFEDSA-N 2 2 371.441 0.639 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)N3CCC([N@H+]4CC[C@@H](O)C4)CC3)ccc2[nH+]1 ZINC000658902842 493106863 /nfs/dbraw/zinc/10/68/63/493106863.db2.gz GXCLLOFOCXLCPY-MRXNPFEDSA-N 2 2 371.441 0.639 10 0 FCAELP [NH3+]CCCOCCNC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000627211124 493107507 /nfs/dbraw/zinc/10/75/07/493107507.db2.gz CMYDFMKHHLNWHH-UHFFFAOYSA-N 2 2 360.462 0.527 10 0 FCAELP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)CCO1 ZINC000627225187 493110825 /nfs/dbraw/zinc/11/08/25/493110825.db2.gz VBPSRBRVKYDARW-USXIJHARSA-N 2 2 363.462 0.040 10 0 FCAELP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)CCO1 ZINC000627225187 493110827 /nfs/dbraw/zinc/11/08/27/493110827.db2.gz VBPSRBRVKYDARW-USXIJHARSA-N 2 2 363.462 0.040 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)C[C@H]1C[NH3+] ZINC000633087244 493119391 /nfs/dbraw/zinc/11/93/91/493119391.db2.gz IBCGUVLWYVCKKF-GHMZBOCLSA-N 2 2 361.368 0.457 10 0 FCAELP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)CCO1 ZINC000658999474 493123099 /nfs/dbraw/zinc/12/30/99/493123099.db2.gz CBHZPYNNMLSXLF-OAHLLOKOSA-N 2 2 359.430 0.842 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000633102087 493125989 /nfs/dbraw/zinc/12/59/89/493125989.db2.gz QMTLMHINCPUJCM-INIZCTEOSA-N 2 2 359.474 0.769 10 0 FCAELP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)N3C[C@@H]([NH3+])C[C@H]3C)CC2)s1 ZINC000633116330 493132732 /nfs/dbraw/zinc/13/27/32/493132732.db2.gz RUAAXKTVODPTTK-KGLIPLIRSA-N 2 2 364.515 0.903 10 0 FCAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000627292744 493136828 /nfs/dbraw/zinc/13/68/28/493136828.db2.gz CAEXKXZEGHLZHX-NILFDRSVSA-N 2 2 352.866 0.926 10 0 FCAELP C[C@H](NC(=O)N1CC[NH+](CCc2cnccn2)CC1)C1=CC[N@H+](C)CC1 ZINC000633158859 493137354 /nfs/dbraw/zinc/13/73/54/493137354.db2.gz ZVYJJAQIGZASSB-INIZCTEOSA-N 2 2 358.490 0.997 10 0 FCAELP C[C@H](NC(=O)N1CC[NH+](CCc2cnccn2)CC1)C1=CC[N@@H+](C)CC1 ZINC000633158859 493137357 /nfs/dbraw/zinc/13/73/57/493137357.db2.gz ZVYJJAQIGZASSB-INIZCTEOSA-N 2 2 358.490 0.997 10 0 FCAELP O=C(NCCCn1cc[nH+]c1)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659069668 493137944 /nfs/dbraw/zinc/13/79/44/493137944.db2.gz ISFSDMXMBBFWHA-MRXNPFEDSA-N 2 2 357.414 0.689 10 0 FCAELP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000653436572 493138155 /nfs/dbraw/zinc/13/81/55/493138155.db2.gz ZKTIFZFDZBUAHJ-UHFFFAOYSA-N 2 2 356.511 0.308 10 0 FCAELP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000653436572 493138157 /nfs/dbraw/zinc/13/81/57/493138157.db2.gz ZKTIFZFDZBUAHJ-UHFFFAOYSA-N 2 2 356.511 0.308 10 0 FCAELP CC(C)C[NH+](C)CCCNC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000653436572 493138158 /nfs/dbraw/zinc/13/81/58/493138158.db2.gz ZKTIFZFDZBUAHJ-UHFFFAOYSA-N 2 2 356.511 0.308 10 0 FCAELP CC(C)C[NH+](C)CCCNC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000653436572 493138160 /nfs/dbraw/zinc/13/81/60/493138160.db2.gz ZKTIFZFDZBUAHJ-UHFFFAOYSA-N 2 2 356.511 0.308 10 0 FCAELP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000627297795 493140607 /nfs/dbraw/zinc/14/06/07/493140607.db2.gz TZFOEXFDVYTNNG-LSDHHAIUSA-N 2 2 354.401 0.633 10 0 FCAELP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000627297795 493140612 /nfs/dbraw/zinc/14/06/12/493140612.db2.gz TZFOEXFDVYTNNG-LSDHHAIUSA-N 2 2 354.401 0.633 10 0 FCAELP C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C[NH2+]1 ZINC000627301976 493142451 /nfs/dbraw/zinc/14/24/51/493142451.db2.gz UOIUERJBGQOCRK-MAUKXSAKSA-N 2 2 374.485 0.392 10 0 FCAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC000627314348 493147340 /nfs/dbraw/zinc/14/73/40/493147340.db2.gz ADGLJHGNURXECL-CJNGLKHVSA-N 2 2 371.441 0.463 10 0 FCAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000627317244 493149186 /nfs/dbraw/zinc/14/91/86/493149186.db2.gz JEHCJLMDVJSHDD-NILFDRSVSA-N 2 2 359.405 0.631 10 0 FCAELP O=C1C[C@@H]([NH2+]Cc2ccnn2-c2ccccn2)CN1CC[NH+]1CCOCC1 ZINC000647185334 493174786 /nfs/dbraw/zinc/17/47/86/493174786.db2.gz YXOAIWHPSAITAR-MRXNPFEDSA-N 2 2 370.457 0.290 10 0 FCAELP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000633674913 493179400 /nfs/dbraw/zinc/17/94/00/493179400.db2.gz GXJNOFTUNKLDNU-KRWDZBQOSA-N 2 2 355.442 0.871 10 0 FCAELP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000633674913 493179405 /nfs/dbraw/zinc/17/94/05/493179405.db2.gz GXJNOFTUNKLDNU-KRWDZBQOSA-N 2 2 355.442 0.871 10 0 FCAELP C[NH+]1CCN(S(=O)(=O)N2CC[NH+]([C@H]3CCc4ccccc43)CC2)CC1 ZINC000681672184 493204812 /nfs/dbraw/zinc/20/48/12/493204812.db2.gz QGNZKESABMVLBU-SFHVURJKSA-N 2 2 364.515 0.784 10 0 FCAELP Cc1cc(NCCNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000627407779 493206383 /nfs/dbraw/zinc/20/63/83/493206383.db2.gz FAGJVJDBKVTPNY-CQSZACIVSA-N 2 2 362.478 0.695 10 0 FCAELP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000672571551 493208544 /nfs/dbraw/zinc/20/85/44/493208544.db2.gz OBRUZOVDPNGLTI-GDBMZVCRSA-N 2 2 350.507 0.966 10 0 FCAELP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000672571551 493208548 /nfs/dbraw/zinc/20/85/48/493208548.db2.gz OBRUZOVDPNGLTI-GDBMZVCRSA-N 2 2 350.507 0.966 10 0 FCAELP C[N@@H+]1CCc2c(cccc2S(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000641341767 493216848 /nfs/dbraw/zinc/21/68/48/493216848.db2.gz WPOUCNOPORUQHR-MRXNPFEDSA-N 2 2 367.515 0.800 10 0 FCAELP C[N@H+]1CCc2c(cccc2S(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000641341767 493216850 /nfs/dbraw/zinc/21/68/50/493216850.db2.gz WPOUCNOPORUQHR-MRXNPFEDSA-N 2 2 367.515 0.800 10 0 FCAELP Cc1ccc(CN(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000672640060 493225081 /nfs/dbraw/zinc/22/50/81/493225081.db2.gz HJCQJRKPENMSCK-OAHLLOKOSA-N 2 2 362.474 0.831 10 0 FCAELP Cc1ccc(CN(C)C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000672640060 493225085 /nfs/dbraw/zinc/22/50/85/493225085.db2.gz HJCQJRKPENMSCK-OAHLLOKOSA-N 2 2 362.474 0.831 10 0 FCAELP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)c1ccccc1Cl ZINC000659675433 493245269 /nfs/dbraw/zinc/24/52/69/493245269.db2.gz ULGFCLBPVQWQEI-KVIBHRHWSA-N 2 2 364.877 0.927 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)CN3CCN(C4CC4)C3=O)CC2)CC1 ZINC000667642228 493294438 /nfs/dbraw/zinc/29/44/38/493294438.db2.gz SXAJJDZFTPYLQG-UHFFFAOYSA-N 2 2 363.506 0.561 10 0 FCAELP CN(C(=O)C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000673280486 493310368 /nfs/dbraw/zinc/31/03/68/493310368.db2.gz CVLNRUSWQXUYQK-SJLPKXTDSA-N 2 2 356.470 0.984 10 0 FCAELP CN(C(=O)C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000673280486 493310372 /nfs/dbraw/zinc/31/03/72/493310372.db2.gz CVLNRUSWQXUYQK-SJLPKXTDSA-N 2 2 356.470 0.984 10 0 FCAELP CN(C(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)[C@@H]1CC[NH+](C2CC2)C1 ZINC000673280486 493310375 /nfs/dbraw/zinc/31/03/75/493310375.db2.gz CVLNRUSWQXUYQK-SJLPKXTDSA-N 2 2 356.470 0.984 10 0 FCAELP CN(C(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)[C@@H]1CC[NH+](C2CC2)C1 ZINC000673280486 493310379 /nfs/dbraw/zinc/31/03/79/493310379.db2.gz CVLNRUSWQXUYQK-SJLPKXTDSA-N 2 2 356.470 0.984 10 0 FCAELP CN(C(=O)CN1CCN(C2CC2)C1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668618294 493385602 /nfs/dbraw/zinc/38/56/02/493385602.db2.gz PTJOXJNAMMUZCO-KRWDZBQOSA-N 2 2 363.506 0.513 10 0 FCAELP CN(C(=O)CN1CCN(C2CC2)C1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668618294 493385607 /nfs/dbraw/zinc/38/56/07/493385607.db2.gz PTJOXJNAMMUZCO-KRWDZBQOSA-N 2 2 363.506 0.513 10 0 FCAELP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cn1 ZINC000684030192 493388516 /nfs/dbraw/zinc/38/85/16/493388516.db2.gz LYOGHAMRQCRQHU-MRXNPFEDSA-N 2 2 372.429 0.458 10 0 FCAELP C[NH+](C)CC1CCC(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000668776778 493408350 /nfs/dbraw/zinc/40/83/50/493408350.db2.gz GQTWFEHALIOFHR-OFLPRAFFSA-N 2 2 366.506 0.156 10 0 FCAELP CN(C(=O)CCC(F)F)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000684433895 493412174 /nfs/dbraw/zinc/41/21/74/493412174.db2.gz CIXWQRROMXXCFA-UHFFFAOYSA-N 2 2 360.449 0.729 10 0 FCAELP CCN(C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@H]1CC[N@H+](C)C1 ZINC000668891943 493429624 /nfs/dbraw/zinc/42/96/24/493429624.db2.gz VPAQPROPSZRRBX-GVDBMIGSSA-N 2 2 366.506 0.299 10 0 FCAELP CCN(C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@H]1CC[N@@H+](C)C1 ZINC000668891943 493429625 /nfs/dbraw/zinc/42/96/25/493429625.db2.gz VPAQPROPSZRRBX-GVDBMIGSSA-N 2 2 366.506 0.299 10 0 FCAELP CO[C@]1(CO)CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000661393375 493433350 /nfs/dbraw/zinc/43/33/50/493433350.db2.gz RCOGXZAZJWIRFA-GOSISDBHSA-N 2 2 351.447 0.397 10 0 FCAELP CO[C@]1(CO)CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000661393375 493433352 /nfs/dbraw/zinc/43/33/52/493433352.db2.gz RCOGXZAZJWIRFA-GOSISDBHSA-N 2 2 351.447 0.397 10 0 FCAELP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000661395362 493433815 /nfs/dbraw/zinc/43/38/15/493433815.db2.gz FFOPAIBBXNVZKY-INIZCTEOSA-N 2 2 365.522 0.809 10 0 FCAELP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000661395362 493433819 /nfs/dbraw/zinc/43/38/19/493433819.db2.gz FFOPAIBBXNVZKY-INIZCTEOSA-N 2 2 365.522 0.809 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H](CCF)C3)C2)CC1 ZINC000668910575 493436065 /nfs/dbraw/zinc/43/60/65/493436065.db2.gz KCJFLXCLRQAIQK-HOTGVXAUSA-N 2 2 368.497 0.869 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H](CCF)C3)C2)CC1 ZINC000668910575 493436068 /nfs/dbraw/zinc/43/60/68/493436068.db2.gz KCJFLXCLRQAIQK-HOTGVXAUSA-N 2 2 368.497 0.869 10 0 FCAELP CC(C)[NH+]1CCC([NH+]2CCN(c3nnc(-c4cn(C)nn4)n3C)CC2)CC1 ZINC000668936917 493441152 /nfs/dbraw/zinc/44/11/52/493441152.db2.gz DEIZIHRDGKHHOF-UHFFFAOYSA-N 2 2 373.509 0.605 10 0 FCAELP CC(C)(CNC(=O)C[NH+]1CCC(OCCCO)CC1)[NH+]1CCOCC1 ZINC000674912437 493458793 /nfs/dbraw/zinc/45/87/93/493458793.db2.gz BRVTVGMTLIVVBF-UHFFFAOYSA-N 2 2 357.495 0.077 10 0 FCAELP O=C(NC1CC([NH+]2CCCCC2)C1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000669122869 493465114 /nfs/dbraw/zinc/46/51/14/493465114.db2.gz YQGFSUFZYPBNAA-CGZBRXJRSA-N 2 2 364.490 0.053 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000669292856 493490922 /nfs/dbraw/zinc/49/09/22/493490922.db2.gz IGVGVZYAZLSCLD-INIZCTEOSA-N 2 2 374.489 0.501 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000669292858 493491049 /nfs/dbraw/zinc/49/10/49/493491049.db2.gz IGVGVZYAZLSCLD-MRXNPFEDSA-N 2 2 374.489 0.501 10 0 FCAELP [NH3+][C@@H]1CN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[C@H]1F ZINC000662325271 493506714 /nfs/dbraw/zinc/50/67/14/493506714.db2.gz KPMKYVLZTFROFJ-QZTJIDSGSA-N 2 2 364.465 0.506 10 0 FCAELP CC(C)OC[C@H]([NH3+])C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000662419455 493514147 /nfs/dbraw/zinc/51/41/47/493514147.db2.gz IJGSKZWAPUMXOG-KRWDZBQOSA-N 2 2 365.474 0.766 10 0 FCAELP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000662463971 493518033 /nfs/dbraw/zinc/51/80/33/493518033.db2.gz ASPXXAMSMQWHAZ-WMZOPIPTSA-N 2 2 372.469 0.270 10 0 FCAELP Cc1[nH+]ccn1CCCNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676091846 493523314 /nfs/dbraw/zinc/52/33/14/493523314.db2.gz XWCRZDCCPKFASH-UHFFFAOYSA-N 2 2 353.386 0.917 10 0 FCAELP CC1(C)C[N@H+](CCNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CCO1 ZINC000676093080 493523434 /nfs/dbraw/zinc/52/34/34/493523434.db2.gz DWKVDAWSBUEGIJ-UHFFFAOYSA-N 2 2 372.429 0.433 10 0 FCAELP CC1(C)C[N@@H+](CCNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CCO1 ZINC000676093080 493523436 /nfs/dbraw/zinc/52/34/36/493523436.db2.gz DWKVDAWSBUEGIJ-UHFFFAOYSA-N 2 2 372.429 0.433 10 0 FCAELP Cc1cccc2[nH+]c(CNC(=O)C(=O)Nc3cnn(CC[NH+](C)C)c3)cn21 ZINC000676095169 493524083 /nfs/dbraw/zinc/52/40/83/493524083.db2.gz IPEDYUYPTMRVSI-UHFFFAOYSA-N 2 2 369.429 0.656 10 0 FCAELP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)CC3([NH3+])CC3)c2)CC1 ZINC000662703207 493533215 /nfs/dbraw/zinc/53/32/15/493533215.db2.gz QGFTVZMGYPUIFM-UHFFFAOYSA-N 2 2 352.460 0.443 10 0 FCAELP CCN1CC[C@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC000670013152 493540835 /nfs/dbraw/zinc/54/08/35/493540835.db2.gz CBRJJRNXVOTUDI-INIZCTEOSA-N 2 2 351.495 0.465 10 0 FCAELP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662923797 493553822 /nfs/dbraw/zinc/55/38/22/493553822.db2.gz RPUIHGAUTUSABA-IAGOWNOFSA-N 2 2 362.449 0.537 10 0 FCAELP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000670533290 493577175 /nfs/dbraw/zinc/57/71/75/493577175.db2.gz BRBNBHZPIOKNFW-MSOLQXFVSA-N 2 2 374.485 0.214 10 0 FCAELP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000670533290 493577178 /nfs/dbraw/zinc/57/71/78/493577178.db2.gz BRBNBHZPIOKNFW-MSOLQXFVSA-N 2 2 374.485 0.214 10 0 FCAELP C[NH+]1CCC[C@@H](NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000670533290 493577180 /nfs/dbraw/zinc/57/71/80/493577180.db2.gz BRBNBHZPIOKNFW-MSOLQXFVSA-N 2 2 374.485 0.214 10 0 FCAELP C[NH+]1CCC[C@@H](NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000670533290 493577182 /nfs/dbraw/zinc/57/71/82/493577182.db2.gz BRBNBHZPIOKNFW-MSOLQXFVSA-N 2 2 374.485 0.214 10 0 FCAELP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1)c1ccccc1F ZINC000670736748 493593014 /nfs/dbraw/zinc/59/30/14/493593014.db2.gz KWZCWPCFSSIOMF-XJKSGUPXSA-N 2 2 373.432 0.975 10 0 FCAELP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1)c1ccccc1F ZINC000670736748 493593016 /nfs/dbraw/zinc/59/30/16/493593016.db2.gz KWZCWPCFSSIOMF-XJKSGUPXSA-N 2 2 373.432 0.975 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000670999350 493622489 /nfs/dbraw/zinc/62/24/89/493622489.db2.gz GQGHQCOUFYKHNA-IRXDYDNUSA-N 2 2 366.506 0.300 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000664248251 493647805 /nfs/dbraw/zinc/64/78/05/493647805.db2.gz RGXSPFMFDVOFOZ-INIZCTEOSA-N 3 2 350.511 0.981 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000664248251 493647808 /nfs/dbraw/zinc/64/78/08/493647808.db2.gz RGXSPFMFDVOFOZ-INIZCTEOSA-N 3 2 350.511 0.981 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNc1cc(N2CCC[C@H](CO)C2)ncn1 ZINC000664248251 493647810 /nfs/dbraw/zinc/64/78/10/493647810.db2.gz RGXSPFMFDVOFOZ-INIZCTEOSA-N 2 2 350.511 0.981 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNc1cc(N2CCC[C@H](CO)C2)ncn1 ZINC000664248251 493647813 /nfs/dbraw/zinc/64/78/13/493647813.db2.gz RGXSPFMFDVOFOZ-INIZCTEOSA-N 2 2 350.511 0.981 10 0 FCAELP CCN1CC[NH+](CCCCNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)CC1 ZINC000671200059 493648773 /nfs/dbraw/zinc/64/87/73/493648773.db2.gz DLDMZWCHIGAOSZ-MSOLQXFVSA-N 2 2 367.538 0.519 10 0 FCAELP CCN1CC[NH+](CCCCNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000671200059 493648777 /nfs/dbraw/zinc/64/87/77/493648777.db2.gz DLDMZWCHIGAOSZ-MSOLQXFVSA-N 2 2 367.538 0.519 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCSC[C@@H]3CCO)C2)CC1 ZINC000678778921 493659637 /nfs/dbraw/zinc/65/96/37/493659637.db2.gz YUSAWCJXDJWAAQ-ZBFHGGJFSA-N 2 2 356.536 0.664 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCSC[C@@H]3CCO)C2)CC1 ZINC000678778921 493659640 /nfs/dbraw/zinc/65/96/40/493659640.db2.gz YUSAWCJXDJWAAQ-ZBFHGGJFSA-N 2 2 356.536 0.664 10 0 FCAELP CN1c2ccccc2C[C@@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1=O ZINC000664537734 493666320 /nfs/dbraw/zinc/66/63/20/493666320.db2.gz QSVJJDHXUQZPOK-QGZVFWFLSA-N 2 2 373.501 0.899 10 0 FCAELP CC(C)Nc1nc(N2CCO[C@H](CCC[NH+](C)C)C2)nc(NCCO)[nH+]1 ZINC000664658651 493675581 /nfs/dbraw/zinc/67/55/81/493675581.db2.gz SJEPKSHNYGDTFV-CQSZACIVSA-N 2 2 367.498 0.643 10 0 FCAELP CC(C)Nc1nc(NCCO)[nH+]c(N2CCO[C@H](CCC[NH+](C)C)C2)n1 ZINC000664658651 493675583 /nfs/dbraw/zinc/67/55/83/493675583.db2.gz SJEPKSHNYGDTFV-CQSZACIVSA-N 2 2 367.498 0.643 10 0 FCAELP CC(C)Nc1nc(NCCO)nc(N2CCO[C@H](CCC[NH+](C)C)C2)[nH+]1 ZINC000664658651 493675585 /nfs/dbraw/zinc/67/55/85/493675585.db2.gz SJEPKSHNYGDTFV-CQSZACIVSA-N 2 2 367.498 0.643 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1cccc(S(C)(=O)=O)c1 ZINC000665024761 493696329 /nfs/dbraw/zinc/69/63/29/493696329.db2.gz GULKHMFLLQLHHF-UHFFFAOYSA-N 2 2 370.519 0.773 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1cccc(S(C)(=O)=O)c1 ZINC000665024761 493696331 /nfs/dbraw/zinc/69/63/31/493696331.db2.gz GULKHMFLLQLHHF-UHFFFAOYSA-N 2 2 370.519 0.773 10 0 FCAELP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[C@H]3OCC[NH+](C)[C@@H]3C2)CCCO1 ZINC000671621479 493698483 /nfs/dbraw/zinc/69/84/83/493698483.db2.gz NXTHORONYQGYDM-BRWVUGGUSA-N 2 2 354.495 0.602 10 0 FCAELP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[C@H]3OCC[NH+](C)[C@@H]3C2)CCCO1 ZINC000671621479 493698485 /nfs/dbraw/zinc/69/84/85/493698485.db2.gz NXTHORONYQGYDM-BRWVUGGUSA-N 2 2 354.495 0.602 10 0 FCAELP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)CCCO1 ZINC000671621479 493698487 /nfs/dbraw/zinc/69/84/87/493698487.db2.gz NXTHORONYQGYDM-BRWVUGGUSA-N 2 2 354.495 0.602 10 0 FCAELP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)CCCO1 ZINC000671621479 493698489 /nfs/dbraw/zinc/69/84/89/493698489.db2.gz NXTHORONYQGYDM-BRWVUGGUSA-N 2 2 354.495 0.602 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1=O ZINC000679946869 493702614 /nfs/dbraw/zinc/70/26/14/493702614.db2.gz VBTASTSKENWWPR-JKSUJKDBSA-N 2 2 374.489 0.695 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1=O ZINC000679946869 493702615 /nfs/dbraw/zinc/70/26/15/493702615.db2.gz VBTASTSKENWWPR-JKSUJKDBSA-N 2 2 374.489 0.695 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1=O ZINC000679946866 493702802 /nfs/dbraw/zinc/70/28/02/493702802.db2.gz VBTASTSKENWWPR-HOTGVXAUSA-N 2 2 374.489 0.695 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1=O ZINC000679946866 493702805 /nfs/dbraw/zinc/70/28/05/493702805.db2.gz VBTASTSKENWWPR-HOTGVXAUSA-N 2 2 374.489 0.695 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1nc([C@@H]2CCCO2)n[nH]1 ZINC000665252658 493706838 /nfs/dbraw/zinc/70/68/38/493706838.db2.gz VQSMBFZWQBUFAV-ZDUSSCGKSA-N 2 2 353.471 0.339 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1nc([C@@H]2CCCO2)n[nH]1 ZINC000665252658 493706840 /nfs/dbraw/zinc/70/68/40/493706840.db2.gz VQSMBFZWQBUFAV-ZDUSSCGKSA-N 2 2 353.471 0.339 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1)[NH+]1CCc2ccccc2C1 ZINC000671933543 493715777 /nfs/dbraw/zinc/71/57/77/493715777.db2.gz AKJWFOZPECKXMY-QAPCUYQASA-N 2 2 358.486 0.760 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1)[NH+]1CCc2ccccc2C1 ZINC000671933543 493715778 /nfs/dbraw/zinc/71/57/78/493715778.db2.gz AKJWFOZPECKXMY-QAPCUYQASA-N 2 2 358.486 0.760 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH+](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000671933543 493715780 /nfs/dbraw/zinc/71/57/80/493715780.db2.gz AKJWFOZPECKXMY-QAPCUYQASA-N 2 2 358.486 0.760 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH+](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000671933543 493715782 /nfs/dbraw/zinc/71/57/82/493715782.db2.gz AKJWFOZPECKXMY-QAPCUYQASA-N 2 2 358.486 0.760 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@@H](C)[NH+](CCO)C[C@H]1C ZINC000665763485 493734836 /nfs/dbraw/zinc/73/48/36/493734836.db2.gz BZHMHJVJKTWIQV-GVDBMIGSSA-N 3 2 357.543 0.355 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@@H](C)[NH+](CCO)C[C@H]1C ZINC000665763485 493734838 /nfs/dbraw/zinc/73/48/38/493734838.db2.gz BZHMHJVJKTWIQV-GVDBMIGSSA-N 3 2 357.543 0.355 10 0 FCAELP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000665763485 493734840 /nfs/dbraw/zinc/73/48/40/493734840.db2.gz BZHMHJVJKTWIQV-GVDBMIGSSA-N 3 2 357.543 0.355 10 0 FCAELP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000665763485 493734842 /nfs/dbraw/zinc/73/48/42/493734842.db2.gz BZHMHJVJKTWIQV-GVDBMIGSSA-N 3 2 357.543 0.355 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC[NH+]1C[C@H](C)OC[C@@H]1C ZINC000665763478 493734849 /nfs/dbraw/zinc/73/48/49/493734849.db2.gz BUEJJGGTEZMTIJ-ULQDDVLXSA-N 3 2 357.543 0.667 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC[NH+]1C[C@H](C)OC[C@@H]1C ZINC000665763478 493734851 /nfs/dbraw/zinc/73/48/51/493734851.db2.gz BUEJJGGTEZMTIJ-ULQDDVLXSA-N 3 2 357.543 0.667 10 0 FCAELP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000665763478 493734853 /nfs/dbraw/zinc/73/48/53/493734853.db2.gz BUEJJGGTEZMTIJ-ULQDDVLXSA-N 3 2 357.543 0.667 10 0 FCAELP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000665763478 493734855 /nfs/dbraw/zinc/73/48/55/493734855.db2.gz BUEJJGGTEZMTIJ-ULQDDVLXSA-N 3 2 357.543 0.667 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCCN1C[C@H](C)OC[C@@H]1C ZINC000665763478 493734857 /nfs/dbraw/zinc/73/48/57/493734857.db2.gz BUEJJGGTEZMTIJ-ULQDDVLXSA-N 2 2 357.543 0.667 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCCN1C[C@H](C)OC[C@@H]1C ZINC000665763478 493734859 /nfs/dbraw/zinc/73/48/59/493734859.db2.gz BUEJJGGTEZMTIJ-ULQDDVLXSA-N 2 2 357.543 0.667 10 0 FCAELP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000672132553 493737018 /nfs/dbraw/zinc/73/70/18/493737018.db2.gz JTCHYCXKSOYDJO-GDBMZVCRSA-N 2 2 359.474 0.921 10 0 FCAELP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000672132553 493737020 /nfs/dbraw/zinc/73/70/20/493737020.db2.gz JTCHYCXKSOYDJO-GDBMZVCRSA-N 2 2 359.474 0.921 10 0 FCAELP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000665934526 493745126 /nfs/dbraw/zinc/74/51/26/493745126.db2.gz NVUWYNBSMLKITA-HNNXBMFYSA-N 2 2 369.473 0.633 10 0 FCAELP C[C@@H](O)[C@@H]1C[N@H+](Cc2ccccc2C[NH+]2CCO[C@H]([C@H](C)O)C2)CCO1 ZINC000412080750 533820047 /nfs/dbraw/zinc/82/00/47/533820047.db2.gz KWKXBDHLNMGZQH-JSJNYSNDSA-N 2 2 364.486 0.850 10 0 FCAELP C[C@@H](O)[C@@H]1C[N@@H+](Cc2ccccc2C[NH+]2CCO[C@H]([C@H](C)O)C2)CCO1 ZINC000412080750 533820056 /nfs/dbraw/zinc/82/00/56/533820056.db2.gz KWKXBDHLNMGZQH-JSJNYSNDSA-N 2 2 364.486 0.850 10 0 FCAELP C[C@@H](O)[C@@H]1C[NH+](Cc2ccccc2C[N@@H+]2CCO[C@H]([C@H](C)O)C2)CCO1 ZINC000412080750 533820063 /nfs/dbraw/zinc/82/00/63/533820063.db2.gz KWKXBDHLNMGZQH-JSJNYSNDSA-N 2 2 364.486 0.850 10 0 FCAELP C[C@@H](O)[C@@H]1C[NH+](Cc2ccccc2C[N@H+]2CCO[C@H]([C@H](C)O)C2)CCO1 ZINC000412080750 533820076 /nfs/dbraw/zinc/82/00/76/533820076.db2.gz KWKXBDHLNMGZQH-JSJNYSNDSA-N 2 2 364.486 0.850 10 0 FCAELP Cc1nnc([C@@H]2CC[NH+](CC(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)C2)[nH]1 ZINC000412036620 534579342 /nfs/dbraw/zinc/57/93/42/534579342.db2.gz VQPCRLXHIURGJW-CVEARBPZSA-N 2 2 364.494 0.375 10 0 FCAELP Cc1nnc([C@@H]2CC[NH+](CC(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)C2)[nH]1 ZINC000412036620 534579347 /nfs/dbraw/zinc/57/93/47/534579347.db2.gz VQPCRLXHIURGJW-CVEARBPZSA-N 2 2 364.494 0.375 10 0 FCAELP Cc1nnc([C@@H]2CC[N@@H+](CC(=O)NC[C@H]3C[NH+](CC(C)C)CCO3)C2)[nH]1 ZINC000412036620 534579355 /nfs/dbraw/zinc/57/93/55/534579355.db2.gz VQPCRLXHIURGJW-CVEARBPZSA-N 2 2 364.494 0.375 10 0 FCAELP Cc1nnc([C@@H]2CC[N@H+](CC(=O)NC[C@H]3C[NH+](CC(C)C)CCO3)C2)[nH]1 ZINC000412036620 534579360 /nfs/dbraw/zinc/57/93/60/534579360.db2.gz VQPCRLXHIURGJW-CVEARBPZSA-N 2 2 364.494 0.375 10 0 FCAELP Cc1n[nH]c([C@@H]2CC[NH+](CC(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)C2)n1 ZINC000412036620 534579363 /nfs/dbraw/zinc/57/93/63/534579363.db2.gz VQPCRLXHIURGJW-CVEARBPZSA-N 2 2 364.494 0.375 10 0 FCAELP Cc1n[nH]c([C@@H]2CC[NH+](CC(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)C2)n1 ZINC000412036620 534579372 /nfs/dbraw/zinc/57/93/72/534579372.db2.gz VQPCRLXHIURGJW-CVEARBPZSA-N 2 2 364.494 0.375 10 0 FCAELP Cc1n[nH]c([C@@H]2CC[N@@H+](CC(=O)NC[C@H]3C[NH+](CC(C)C)CCO3)C2)n1 ZINC000412036620 534579377 /nfs/dbraw/zinc/57/93/77/534579377.db2.gz VQPCRLXHIURGJW-CVEARBPZSA-N 2 2 364.494 0.375 10 0 FCAELP Cc1n[nH]c([C@@H]2CC[N@H+](CC(=O)NC[C@H]3C[NH+](CC(C)C)CCO3)C2)n1 ZINC000412036620 534579383 /nfs/dbraw/zinc/57/93/83/534579383.db2.gz VQPCRLXHIURGJW-CVEARBPZSA-N 2 2 364.494 0.375 10 0 FCAELP Cc1nnc([C@H]2CC[NH+](CC(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)C2)[nH]1 ZINC000412036623 534614109 /nfs/dbraw/zinc/61/41/09/534614109.db2.gz VQPCRLXHIURGJW-JKSUJKDBSA-N 2 2 364.494 0.375 10 0 FCAELP Cc1nnc([C@H]2CC[NH+](CC(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)C2)[nH]1 ZINC000412036623 534614118 /nfs/dbraw/zinc/61/41/18/534614118.db2.gz VQPCRLXHIURGJW-JKSUJKDBSA-N 2 2 364.494 0.375 10 0 FCAELP Cc1nnc([C@H]2CC[N@@H+](CC(=O)NC[C@@H]3C[NH+](CC(C)C)CCO3)C2)[nH]1 ZINC000412036623 534614121 /nfs/dbraw/zinc/61/41/21/534614121.db2.gz VQPCRLXHIURGJW-JKSUJKDBSA-N 2 2 364.494 0.375 10 0 FCAELP Cc1nnc([C@H]2CC[N@H+](CC(=O)NC[C@@H]3C[NH+](CC(C)C)CCO3)C2)[nH]1 ZINC000412036623 534614125 /nfs/dbraw/zinc/61/41/25/534614125.db2.gz VQPCRLXHIURGJW-JKSUJKDBSA-N 2 2 364.494 0.375 10 0 FCAELP Cc1n[nH]c([C@H]2CC[NH+](CC(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)C2)n1 ZINC000412036623 534614130 /nfs/dbraw/zinc/61/41/30/534614130.db2.gz VQPCRLXHIURGJW-JKSUJKDBSA-N 2 2 364.494 0.375 10 0 FCAELP Cc1n[nH]c([C@H]2CC[NH+](CC(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)C2)n1 ZINC000412036623 534614136 /nfs/dbraw/zinc/61/41/36/534614136.db2.gz VQPCRLXHIURGJW-JKSUJKDBSA-N 2 2 364.494 0.375 10 0 FCAELP Cc1n[nH]c([C@H]2CC[N@@H+](CC(=O)NC[C@@H]3C[NH+](CC(C)C)CCO3)C2)n1 ZINC000412036623 534614144 /nfs/dbraw/zinc/61/41/44/534614144.db2.gz VQPCRLXHIURGJW-JKSUJKDBSA-N 2 2 364.494 0.375 10 0 FCAELP Cc1n[nH]c([C@H]2CC[N@H+](CC(=O)NC[C@@H]3C[NH+](CC(C)C)CCO3)C2)n1 ZINC000412036623 534614149 /nfs/dbraw/zinc/61/41/49/534614149.db2.gz VQPCRLXHIURGJW-JKSUJKDBSA-N 2 2 364.494 0.375 10 0 FCAELP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(c3c[nH+]ccc3C)CC2)C1 ZINC000410841772 527823218 /nfs/dbraw/zinc/82/32/18/527823218.db2.gz IQUIGHHWFCNLGI-QGZVFWFLSA-N 2 2 373.501 0.839 10 0 FCAELP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(c3c[nH+]ccc3C)CC2)C1 ZINC000410841772 527823221 /nfs/dbraw/zinc/82/32/21/527823221.db2.gz IQUIGHHWFCNLGI-QGZVFWFLSA-N 2 2 373.501 0.839 10 0 FCAELP CCC[C@H](O)[C@H](CO)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000413318097 528304909 /nfs/dbraw/zinc/30/49/09/528304909.db2.gz NEXNLUQJQLLKFO-IRXDYDNUSA-N 2 2 370.538 0.758 10 0 FCAELP CCCn1nccc1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000188953879 528888533 /nfs/dbraw/zinc/88/85/33/528888533.db2.gz GJZSWMSXZMOTTA-UHFFFAOYSA-N 2 2 364.494 0.716 10 0 FCAELP CCCn1nccc1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000188953879 528888538 /nfs/dbraw/zinc/88/85/38/528888538.db2.gz GJZSWMSXZMOTTA-UHFFFAOYSA-N 2 2 364.494 0.716 10 0 FCAELP COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000594820340 546835509 /nfs/dbraw/zinc/83/55/09/546835509.db2.gz CBJCAZXMOONUKH-CABCVRRESA-N 2 2 363.524 0.521 10 0 FCAELP COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000594820340 546835514 /nfs/dbraw/zinc/83/55/14/546835514.db2.gz CBJCAZXMOONUKH-CABCVRRESA-N 2 2 363.524 0.521 10 0 FCAELP CC[NH+](CC)CCSCC(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000363296888 546889974 /nfs/dbraw/zinc/88/99/74/546889974.db2.gz GKNGVRKPRXFNEO-UHFFFAOYSA-N 2 2 358.552 0.684 10 0 FCAELP CC[NH+](CC)CCSCC(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000363296888 546889975 /nfs/dbraw/zinc/88/99/75/546889975.db2.gz GKNGVRKPRXFNEO-UHFFFAOYSA-N 2 2 358.552 0.684 10 0 FCAELP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)s1 ZINC000423247857 546913921 /nfs/dbraw/zinc/91/39/21/546913921.db2.gz LUQWRFHUVXLNMU-ZDUSSCGKSA-N 2 2 350.488 0.514 10 0 FCAELP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000551164097 547130562 /nfs/dbraw/zinc/13/05/62/547130562.db2.gz IFOYEJZQILUMQZ-INIZCTEOSA-N 2 2 350.507 0.921 10 0 FCAELP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000551164097 547130565 /nfs/dbraw/zinc/13/05/65/547130565.db2.gz IFOYEJZQILUMQZ-INIZCTEOSA-N 2 2 350.507 0.921 10 0 FCAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000177503066 663985008 /nfs/dbraw/zinc/98/50/08/663985008.db2.gz SNMPQCNUKADGRB-MRXNPFEDSA-N 2 2 374.551 0.621 10 0 FCAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000177503066 663985009 /nfs/dbraw/zinc/98/50/09/663985009.db2.gz SNMPQCNUKADGRB-MRXNPFEDSA-N 2 2 374.551 0.621 10 0 FCAELP CNS(=O)(=O)CC[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894531972 664970373 /nfs/dbraw/zinc/97/03/73/664970373.db2.gz DPGSKOOUXLBDIK-UHFFFAOYSA-N 2 2 365.402 0.709 10 0 FCAELP CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000925153545 665170525 /nfs/dbraw/zinc/17/05/25/665170525.db2.gz DWQMZLLKGHGPRQ-CABCVRRESA-N 2 2 356.536 0.664 10 0 FCAELP CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000925153545 665170528 /nfs/dbraw/zinc/17/05/28/665170528.db2.gz DWQMZLLKGHGPRQ-CABCVRRESA-N 2 2 356.536 0.664 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925165185 665176053 /nfs/dbraw/zinc/17/60/53/665176053.db2.gz YLNKSLMMWLDRQU-OWCLPIDISA-N 2 2 356.536 0.928 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000925165185 665176054 /nfs/dbraw/zinc/17/60/54/665176054.db2.gz YLNKSLMMWLDRQU-OWCLPIDISA-N 2 2 356.536 0.928 10 0 FCAELP S=C(NCCC[NH+]1CCOCC1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000905632115 666032162 /nfs/dbraw/zinc/03/21/62/666032162.db2.gz OEDBZWJOXMINKC-CABCVRRESA-N 2 2 358.577 0.753 10 0 FCAELP S=C(NCCC[NH+]1CCOCC1)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000905632115 666032165 /nfs/dbraw/zinc/03/21/65/666032165.db2.gz OEDBZWJOXMINKC-CABCVRRESA-N 2 2 358.577 0.753 10 0 FCAELP COC(=O)C[C@@H]1C[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C[C@H]1C ZINC000905711247 666035572 /nfs/dbraw/zinc/03/55/72/666035572.db2.gz CTKZRGWAJQJRGN-LBTNJELSSA-N 2 2 351.447 0.992 10 0 FCAELP CN1CCN(c2cc(N3CC[C@H](C(F)(F)F)[C@@H]([NH3+])C3)nc[nH+]2)CC1=O ZINC000905723192 666036565 /nfs/dbraw/zinc/03/65/65/666036565.db2.gz PZCUUZHRBXIPGQ-QWRGUYRKSA-N 2 2 358.368 0.471 10 0 FCAELP C/C(=C\C(=O)N1CCC([N@H+]2CCOC[C@H]2C)CC1)C[NH+]1CCOCC1 ZINC000908317474 666199419 /nfs/dbraw/zinc/19/94/19/666199419.db2.gz YYMJJHRAHRFPHZ-HJUDDPQBSA-N 2 2 351.491 0.977 10 0 FCAELP C/C(=C\C(=O)N1CCC([N@@H+]2CCOC[C@H]2C)CC1)C[NH+]1CCOCC1 ZINC000908317474 666199421 /nfs/dbraw/zinc/19/94/21/666199421.db2.gz YYMJJHRAHRFPHZ-HJUDDPQBSA-N 2 2 351.491 0.977 10 0 FCAELP O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000913186218 666512638 /nfs/dbraw/zinc/51/26/38/666512638.db2.gz BHAXLHZEAWNKKT-FUHWJXTLSA-N 2 2 351.422 0.257 10 0 FCAELP O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000913186218 666512640 /nfs/dbraw/zinc/51/26/40/666512640.db2.gz BHAXLHZEAWNKKT-FUHWJXTLSA-N 2 2 351.422 0.257 10 0 FCAELP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3CCCS3(=O)=O)CC2)CC1 ZINC000929972691 667069517 /nfs/dbraw/zinc/06/95/17/667069517.db2.gz SYAKBZBLEBKNTH-INIZCTEOSA-N 2 2 357.520 0.440 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H]3C[C@@H]4COC[C@@H]4O3)C2)CC1 ZINC000918905458 667139959 /nfs/dbraw/zinc/13/99/59/667139959.db2.gz FIHLKORBCHXKDR-OHFALNGGSA-N 2 2 352.479 0.258 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H]3C[C@@H]4COC[C@@H]4O3)C2)CC1 ZINC000918905458 667139962 /nfs/dbraw/zinc/13/99/62/667139962.db2.gz FIHLKORBCHXKDR-OHFALNGGSA-N 2 2 352.479 0.258 10 0 FCAELP CC(=O)OC1CC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000753187644 667543307 /nfs/dbraw/zinc/54/33/07/667543307.db2.gz FTLCQCKQEICVST-KRWDZBQOSA-N 2 2 355.479 0.487 10 0 FCAELP CC(=O)OC1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000753187644 667543310 /nfs/dbraw/zinc/54/33/10/667543310.db2.gz FTLCQCKQEICVST-KRWDZBQOSA-N 2 2 355.479 0.487 10 0 FCAELP CCOC(=O)N1CCN(C(=O)C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)CC1 ZINC000174773919 667770978 /nfs/dbraw/zinc/77/09/78/667770978.db2.gz ZFWMXMVVVYFFBK-CVEARBPZSA-N 2 2 354.495 0.949 10 0 FCAELP CCOC(=O)N1CCN(C(=O)C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)CC1 ZINC000174773919 667770982 /nfs/dbraw/zinc/77/09/82/667770982.db2.gz ZFWMXMVVVYFFBK-CVEARBPZSA-N 2 2 354.495 0.949 10 0 FCAELP CCOC(=O)N1CCN(C(=O)C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000174773919 667770984 /nfs/dbraw/zinc/77/09/84/667770984.db2.gz ZFWMXMVVVYFFBK-CVEARBPZSA-N 2 2 354.495 0.949 10 0 FCAELP CCOC(=O)N1CCN(C(=O)C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000174773919 667770986 /nfs/dbraw/zinc/77/09/86/667770986.db2.gz ZFWMXMVVVYFFBK-CVEARBPZSA-N 2 2 354.495 0.949 10 0 FCAELP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000923370030 667828761 /nfs/dbraw/zinc/82/87/61/667828761.db2.gz OJCQSZYTNZPHMC-TUVASFSCSA-N 2 2 361.552 0.964 10 0 FCAELP CC(C)[N@H+](C[C@H]1CCC(=O)N1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000840186487 669646121 /nfs/dbraw/zinc/64/61/21/669646121.db2.gz BHSPTDMDXGRHDF-CRAIPNDOSA-N 2 2 350.463 0.850 10 0 FCAELP CC(C)[N@@H+](C[C@H]1CCC(=O)N1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000840186487 669646122 /nfs/dbraw/zinc/64/61/22/669646122.db2.gz BHSPTDMDXGRHDF-CRAIPNDOSA-N 2 2 350.463 0.850 10 0 FCAELP CCOC(=O)N1CCC(NC(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000843363028 670807564 /nfs/dbraw/zinc/80/75/64/670807564.db2.gz LVQMSZZUSRXYKS-XYPWUTKMSA-N 2 2 352.479 0.938 10 0 FCAELP CCOC(=O)N1CCC(NC(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000843363028 670807579 /nfs/dbraw/zinc/80/75/79/670807579.db2.gz LVQMSZZUSRXYKS-XYPWUTKMSA-N 2 2 352.479 0.938 10 0 FCAELP CCON(C)C(=O)CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000845560172 671022487 /nfs/dbraw/zinc/02/24/87/671022487.db2.gz LECNLBPBWVIKJQ-HNNXBMFYSA-N 2 2 355.483 0.206 10 0 FCAELP CCON(C)C(=O)CNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000845560172 671022493 /nfs/dbraw/zinc/02/24/93/671022493.db2.gz LECNLBPBWVIKJQ-HNNXBMFYSA-N 2 2 355.483 0.206 10 0 FCAELP CCN(C(=O)C(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000850685882 671401252 /nfs/dbraw/zinc/40/12/52/671401252.db2.gz JFDLAYKQKFDXSE-XHSDSOJGSA-N 2 2 354.495 0.107 10 0 FCAELP CCN(C(=O)C(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000850685882 671401253 /nfs/dbraw/zinc/40/12/53/671401253.db2.gz JFDLAYKQKFDXSE-XHSDSOJGSA-N 2 2 354.495 0.107 10 0 FCAELP CCN(C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000850685882 671401255 /nfs/dbraw/zinc/40/12/55/671401255.db2.gz JFDLAYKQKFDXSE-XHSDSOJGSA-N 2 2 354.495 0.107 10 0 FCAELP CCN(C(=O)C(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000850685882 671401258 /nfs/dbraw/zinc/40/12/58/671401258.db2.gz JFDLAYKQKFDXSE-XHSDSOJGSA-N 2 2 354.495 0.107 10 0 FCAELP CN(C[C@@H](O)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C(=O)OC(C)(C)C ZINC000852707406 671518792 /nfs/dbraw/zinc/51/87/92/671518792.db2.gz HVRYLWAXPYIWMR-HZPDHXFCSA-N 2 2 357.495 0.745 10 0 FCAELP CN(C[C@@H](O)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)C(=O)OC(C)(C)C ZINC000852707406 671518793 /nfs/dbraw/zinc/51/87/93/671518793.db2.gz HVRYLWAXPYIWMR-HZPDHXFCSA-N 2 2 357.495 0.745 10 0 FCAELP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000852748343 671523266 /nfs/dbraw/zinc/52/32/66/671523266.db2.gz RVRULZLUACNNJU-MAUKXSAKSA-N 2 2 352.479 0.751 10 0 FCAELP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000852748343 671523268 /nfs/dbraw/zinc/52/32/68/671523268.db2.gz RVRULZLUACNNJU-MAUKXSAKSA-N 2 2 352.479 0.751 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000853965632 671562185 /nfs/dbraw/zinc/56/21/85/671562185.db2.gz UULTXBILLMUSNI-OAHLLOKOSA-N 2 2 358.483 0.091 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000853965632 671562186 /nfs/dbraw/zinc/56/21/86/671562186.db2.gz UULTXBILLMUSNI-OAHLLOKOSA-N 2 2 358.483 0.091 10 0 FCAELP CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000858222612 671754147 /nfs/dbraw/zinc/75/41/47/671754147.db2.gz DCAVFZHUNHFVCD-KRWDZBQOSA-N 2 2 354.520 0.910 10 0 FCAELP Cc1ccncc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562376 675945009 /nfs/dbraw/zinc/94/50/09/675945009.db2.gz KQRBAKAIPDKRKK-IYBDPMFKSA-N 2 2 350.488 0.979 10 0 FCAELP Cc1ccncc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562376 675945010 /nfs/dbraw/zinc/94/50/10/675945010.db2.gz KQRBAKAIPDKRKK-IYBDPMFKSA-N 2 2 350.488 0.979 10 0 FCAELP Cc1nc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cn1C ZINC000903562375 675945076 /nfs/dbraw/zinc/94/50/76/675945076.db2.gz KOQWAAWRQBGZQI-GASCZTMLSA-N 2 2 353.492 0.318 10 0 FCAELP Cc1nc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cn1C ZINC000903562375 675945078 /nfs/dbraw/zinc/94/50/78/675945078.db2.gz KOQWAAWRQBGZQI-GASCZTMLSA-N 2 2 353.492 0.318 10 0 FCAELP Nc1cccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1 ZINC000903562765 675945264 /nfs/dbraw/zinc/94/52/64/675945264.db2.gz SNDWCEOHNDEKSO-IYBDPMFKSA-N 2 2 350.488 0.858 10 0 FCAELP Nc1cccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1 ZINC000903562765 675945265 /nfs/dbraw/zinc/94/52/65/675945265.db2.gz SNDWCEOHNDEKSO-IYBDPMFKSA-N 2 2 350.488 0.858 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)N[C@H](Cc4cncs4)C3=O)C2)CC1 ZINC000871894336 672579906 /nfs/dbraw/zinc/57/99/06/672579906.db2.gz NTNBJXRKFSNGSQ-DZGCQCFKSA-N 2 2 363.487 0.775 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)N[C@H](Cc4cncs4)C3=O)C2)CC1 ZINC000871894336 672579908 /nfs/dbraw/zinc/57/99/08/672579908.db2.gz NTNBJXRKFSNGSQ-DZGCQCFKSA-N 2 2 363.487 0.775 10 0 FCAELP [NH3+]C1(CNS(=O)(=O)[C@H]2CCC[NH2+]C2)CC[NH+](Cc2ccccc2)CC1 ZINC000923649385 672962067 /nfs/dbraw/zinc/96/20/67/672962067.db2.gz RPTOZBIQTLIBMA-KRWDZBQOSA-N 3 2 366.531 0.651 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000925179090 673782528 /nfs/dbraw/zinc/78/25/28/673782528.db2.gz RSPIGQNHPXVNCY-HOTGVXAUSA-N 3 2 357.568 0.749 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000925179090 673782529 /nfs/dbraw/zinc/78/25/29/673782529.db2.gz RSPIGQNHPXVNCY-HOTGVXAUSA-N 3 2 357.568 0.749 10 0 FCAELP C[NH+](C)CCC[NH+](C)CCNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925179090 673782530 /nfs/dbraw/zinc/78/25/30/673782530.db2.gz RSPIGQNHPXVNCY-HOTGVXAUSA-N 3 2 357.568 0.749 10 0 FCAELP C[NH+](C)CCC[NH+](C)CCNC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000925179090 673782531 /nfs/dbraw/zinc/78/25/31/673782531.db2.gz RSPIGQNHPXVNCY-HOTGVXAUSA-N 3 2 357.568 0.749 10 0 FCAELP CC(C)[NH+]1CCC(NC(=O)C(=O)NCc2nc(C[NH+](C)C)cs2)CC1 ZINC000929168847 673942073 /nfs/dbraw/zinc/94/20/73/673942073.db2.gz OMQFNUOMGKNVLQ-UHFFFAOYSA-N 2 2 367.519 0.810 10 0 FCAELP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000900683699 675707185 /nfs/dbraw/zinc/70/71/85/675707185.db2.gz OZKOUZSWAAGSFD-RKVPGOIHSA-N 2 2 366.531 0.608 10 0 FCAELP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000900683699 675707188 /nfs/dbraw/zinc/70/71/88/675707188.db2.gz OZKOUZSWAAGSFD-RKVPGOIHSA-N 2 2 366.531 0.608 10 0 FCAELP CN(C(=O)[C@H]1COC(=O)N1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000901201645 675769714 /nfs/dbraw/zinc/76/97/14/675769714.db2.gz ROBGVATWKZXACN-PMPSAXMXSA-N 2 2 352.479 0.890 10 0 FCAELP CN(C(=O)[C@H]1COC(=O)N1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000901201645 675769716 /nfs/dbraw/zinc/76/97/16/675769716.db2.gz ROBGVATWKZXACN-PMPSAXMXSA-N 2 2 352.479 0.890 10 0 FCAELP CN(C(=O)[C@H]1COC(=O)N1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000901201644 675769790 /nfs/dbraw/zinc/76/97/90/675769790.db2.gz ROBGVATWKZXACN-OWCLPIDISA-N 2 2 352.479 0.890 10 0 FCAELP CN(C(=O)[C@H]1COC(=O)N1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000901201644 675769792 /nfs/dbraw/zinc/76/97/92/675769792.db2.gz ROBGVATWKZXACN-OWCLPIDISA-N 2 2 352.479 0.890 10 0 FCAELP CC[NH+](CC)CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCS(=O)(=O)C1 ZINC000901213643 675771773 /nfs/dbraw/zinc/77/17/73/675771773.db2.gz WMXCHRHHHHRLSI-OAHLLOKOSA-N 2 2 357.520 0.440 10 0 FCAELP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000897488960 1192194613 /nfs/dbraw/zinc/19/46/13/1192194613.db2.gz PXADAPJVWLRTKX-MSOLQXFVSA-N 2 2 358.486 0.978 10 0 FCAELP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000897488960 1192194634 /nfs/dbraw/zinc/19/46/34/1192194634.db2.gz PXADAPJVWLRTKX-MSOLQXFVSA-N 2 2 358.486 0.978 10 0 FCAELP CC[NH+]1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000897488960 1192194644 /nfs/dbraw/zinc/19/46/44/1192194644.db2.gz PXADAPJVWLRTKX-MSOLQXFVSA-N 2 2 358.486 0.978 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)NCCCCn2cc[nH+]c2)CCN1c1cc[nH+]cc1 ZINC000897512947 1192268224 /nfs/dbraw/zinc/26/82/24/1192268224.db2.gz DTSVYSDMJCNXHF-MRXNPFEDSA-N 2 2 370.457 0.912 10 0 FCAELP CCC[NH+]1CCN(CCNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001266289839 1167930291 /nfs/dbraw/zinc/93/02/91/1167930291.db2.gz DQATWDGEJLQUAJ-MSOLQXFVSA-N 2 2 368.522 0.010 10 0 FCAELP CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001266341814 1168187411 /nfs/dbraw/zinc/18/74/11/1168187411.db2.gz MMSOOHRKHAJEJL-KURKYZTESA-N 2 2 358.486 0.658 10 0 FCAELP CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001266341814 1168187416 /nfs/dbraw/zinc/18/74/16/1168187416.db2.gz MMSOOHRKHAJEJL-KURKYZTESA-N 2 2 358.486 0.658 10 0 FCAELP CCNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001266341814 1168187419 /nfs/dbraw/zinc/18/74/19/1168187419.db2.gz MMSOOHRKHAJEJL-KURKYZTESA-N 2 2 358.486 0.658 10 0 FCAELP CCNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001266341814 1168187423 /nfs/dbraw/zinc/18/74/23/1168187423.db2.gz MMSOOHRKHAJEJL-KURKYZTESA-N 2 2 358.486 0.658 10 0 FCAELP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000897526725 1192371769 /nfs/dbraw/zinc/37/17/69/1192371769.db2.gz IVOKWEMEDNYRNK-OAHLLOKOSA-N 2 2 356.430 0.402 10 0 FCAELP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000897526725 1192371771 /nfs/dbraw/zinc/37/17/71/1192371771.db2.gz IVOKWEMEDNYRNK-OAHLLOKOSA-N 2 2 356.430 0.402 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2noc(-c3ccoc3)n2)CC[N@@H+]1C ZINC001482731812 1192375166 /nfs/dbraw/zinc/37/51/66/1192375166.db2.gz YXWASJFGCZPETE-KWCYVHTRSA-N 2 2 363.418 0.237 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2noc(-c3ccoc3)n2)CC[N@H+]1C ZINC001482731812 1192375169 /nfs/dbraw/zinc/37/51/69/1192375169.db2.gz YXWASJFGCZPETE-KWCYVHTRSA-N 2 2 363.418 0.237 10 0 FCAELP CC[NH+](CC)CC(=O)N[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)[C@@H]1C ZINC001719615709 1170382512 /nfs/dbraw/zinc/38/25/12/1170382512.db2.gz FFDBNBDXXHXPBF-PMPSAXMXSA-N 2 2 361.490 0.893 10 0 FCAELP CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001266842435 1170710989 /nfs/dbraw/zinc/71/09/89/1170710989.db2.gz NZKXJWGJKCYQQW-QLFBSQMISA-N 2 2 367.494 0.143 10 0 FCAELP CCNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001266842435 1170711006 /nfs/dbraw/zinc/71/10/06/1170711006.db2.gz NZKXJWGJKCYQQW-QLFBSQMISA-N 2 2 367.494 0.143 10 0 FCAELP CCNC(=O)NC(=O)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266842435 1170711013 /nfs/dbraw/zinc/71/10/13/1170711013.db2.gz NZKXJWGJKCYQQW-QLFBSQMISA-N 2 2 367.494 0.143 10 0 FCAELP CCNC(=O)NC(=O)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266842435 1170711024 /nfs/dbraw/zinc/71/10/24/1170711024.db2.gz NZKXJWGJKCYQQW-QLFBSQMISA-N 2 2 367.494 0.143 10 0 FCAELP CCN(CC[NH2+]CC[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001482930782 1192435089 /nfs/dbraw/zinc/43/50/89/1192435089.db2.gz VEELRFKDCMJKEF-RRFJBIMHSA-N 2 2 368.503 0.776 10 0 FCAELP CCN(CC[NH2+]CC[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001482930782 1192435091 /nfs/dbraw/zinc/43/50/91/1192435091.db2.gz VEELRFKDCMJKEF-RRFJBIMHSA-N 2 2 368.503 0.776 10 0 FCAELP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H](C)[NH+]1CCc2ccccc2C1 ZINC000897587828 1192824126 /nfs/dbraw/zinc/82/41/26/1192824126.db2.gz HKNLEGCORKGVLS-MAUKXSAKSA-N 2 2 358.486 0.760 10 0 FCAELP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H](C)[NH+]1CCc2ccccc2C1 ZINC000897587828 1192824129 /nfs/dbraw/zinc/82/41/29/1192824129.db2.gz HKNLEGCORKGVLS-MAUKXSAKSA-N 2 2 358.486 0.760 10 0 FCAELP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000897587828 1192824130 /nfs/dbraw/zinc/82/41/30/1192824130.db2.gz HKNLEGCORKGVLS-MAUKXSAKSA-N 2 2 358.486 0.760 10 0 FCAELP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000897587828 1192824132 /nfs/dbraw/zinc/82/41/32/1192824132.db2.gz HKNLEGCORKGVLS-MAUKXSAKSA-N 2 2 358.486 0.760 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@H](C)C2)CC[N@@H+]1C ZINC001719737967 1179848200 /nfs/dbraw/zinc/84/82/00/1179848200.db2.gz NLYXBVPNGBYVNW-TXCZRRACSA-N 2 2 361.490 0.893 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@H](C)C2)CC[N@H+]1C ZINC001719737967 1179848203 /nfs/dbraw/zinc/84/82/03/1179848203.db2.gz NLYXBVPNGBYVNW-TXCZRRACSA-N 2 2 361.490 0.893 10 0 FCAELP CNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccccc1 ZINC001267522334 1181516632 /nfs/dbraw/zinc/51/66/32/1181516632.db2.gz CXXNDMSRAGSZKU-BZUAXINKSA-N 2 2 355.442 0.717 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[C@@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001267576255 1181905911 /nfs/dbraw/zinc/90/59/11/1181905911.db2.gz PIGCEXTXARFNLJ-FVQBIDKESA-N 2 2 357.462 0.681 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001267576255 1181905918 /nfs/dbraw/zinc/90/59/18/1181905918.db2.gz PIGCEXTXARFNLJ-FVQBIDKESA-N 2 2 357.462 0.681 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CC(=O)NCc3ccco3)C2)CC[N@@H+]1C ZINC001267741499 1182925044 /nfs/dbraw/zinc/92/50/44/1182925044.db2.gz AMHRSFGEAGNYRW-HYVNUMGLSA-N 2 2 362.474 0.817 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CC(=O)NCc3ccco3)C2)CC[N@H+]1C ZINC001267741499 1182925048 /nfs/dbraw/zinc/92/50/48/1182925048.db2.gz AMHRSFGEAGNYRW-HYVNUMGLSA-N 2 2 362.474 0.817 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)NCc3ccco3)C2)CC[NH+]1C ZINC001267741499 1182925051 /nfs/dbraw/zinc/92/50/51/1182925051.db2.gz AMHRSFGEAGNYRW-HYVNUMGLSA-N 2 2 362.474 0.817 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCc3ccco3)C2)CC[NH+]1C ZINC001267741499 1182925054 /nfs/dbraw/zinc/92/50/54/1182925054.db2.gz AMHRSFGEAGNYRW-HYVNUMGLSA-N 2 2 362.474 0.817 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C\C[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001268592931 1187656087 /nfs/dbraw/zinc/65/60/87/1187656087.db2.gz MUUBNRQOSFUEIV-OLHKZKHMSA-N 2 2 359.474 0.702 10 0 FCAELP C[C@H](NC(=O)CN1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[N@H+](C)CCN1C ZINC000896571254 1190096925 /nfs/dbraw/zinc/09/69/25/1190096925.db2.gz PHRJBNLIBUMQAL-AZUAARDMSA-N 2 2 373.545 0.555 10 0 FCAELP CC(C)[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000550664913 1193729746 /nfs/dbraw/zinc/72/97/46/1193729746.db2.gz ADHQBEGSQCNIII-IRXDYDNUSA-N 2 2 366.506 0.155 10 0 FCAELP CC(C)[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000550664913 1193729749 /nfs/dbraw/zinc/72/97/49/1193729749.db2.gz ADHQBEGSQCNIII-IRXDYDNUSA-N 2 2 366.506 0.155 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000552786402 1193950803 /nfs/dbraw/zinc/95/08/03/1193950803.db2.gz AHFNIQCNUZATQM-UHFFFAOYSA-N 2 2 368.522 0.404 10 0 FCAELP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C[C@H](C)O1 ZINC000553049913 1193967871 /nfs/dbraw/zinc/96/78/71/1193967871.db2.gz QXGAWBGHSJECEV-OKILXGFUSA-N 2 2 359.430 0.888 10 0 FCAELP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C[C@H](C)O1 ZINC000553049913 1193967872 /nfs/dbraw/zinc/96/78/72/1193967872.db2.gz QXGAWBGHSJECEV-OKILXGFUSA-N 2 2 359.430 0.888 10 0 FCAELP C[N@@H+]1CCC[C@H](NC(=O)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000898548927 1194042921 /nfs/dbraw/zinc/04/29/21/1194042921.db2.gz UBLNNBRCWNVWJR-DLBZAZTESA-N 2 2 355.442 0.951 10 0 FCAELP C[N@H+]1CCC[C@H](NC(=O)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000898548927 1194042925 /nfs/dbraw/zinc/04/29/25/1194042925.db2.gz UBLNNBRCWNVWJR-DLBZAZTESA-N 2 2 355.442 0.951 10 0 FCAELP Cc1ncoc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001483151522 1194436160 /nfs/dbraw/zinc/43/61/60/1194436160.db2.gz KOMOEYDCNFPYGO-BMFZPTHFSA-N 2 2 366.462 0.457 10 0 FCAELP CCOc1ccc(N2CC[NH+](C[C@@H](C[NH3+])Cc3cnn(C)c3C)CC2)nn1 ZINC000903933332 1195497439 /nfs/dbraw/zinc/49/74/39/1195497439.db2.gz OZZBRTQRNFVVLY-MRXNPFEDSA-N 2 2 373.505 0.857 10 0 FCAELP C/C(=C\C(=O)N[C@H]1CC[C@@H]([NH+]2CCN(C)CC2)CC1)C[NH+]1CCOCC1 ZINC000907382186 1195694441 /nfs/dbraw/zinc/69/44/41/1195694441.db2.gz CNPBUTWKHNPDQZ-BDFAQADUSA-N 2 2 364.534 0.940 10 0 FCAELP C[NH+](C)C1(C)CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000913398554 1196428654 /nfs/dbraw/zinc/42/86/54/1196428654.db2.gz LGSRBRSQFOVCHE-INIZCTEOSA-N 2 2 366.506 0.110 10 0 FCAELP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000592965266 1196598413 /nfs/dbraw/zinc/59/84/13/1196598413.db2.gz XUFPRNXSUWZTSM-GOSISDBHSA-N 2 2 374.485 0.168 10 0 FCAELP Cc1ccc(C[NH+]2CCO[C@H](CNC(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)C2)cc1 ZINC000913756828 1197125088 /nfs/dbraw/zinc/12/50/88/1197125088.db2.gz GJBMKWXHKJMNGR-NSHGMRRFSA-N 2 2 361.486 0.767 10 0 FCAELP Cc1ccc(C[NH+]2CCO[C@H](CNC(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)C2)cc1 ZINC000913756828 1197125099 /nfs/dbraw/zinc/12/50/99/1197125099.db2.gz GJBMKWXHKJMNGR-NSHGMRRFSA-N 2 2 361.486 0.767 10 0 FCAELP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@]3(C)C[C@H](O)C[NH+]3C)C2)cc1 ZINC000913756828 1197125107 /nfs/dbraw/zinc/12/51/07/1197125107.db2.gz GJBMKWXHKJMNGR-NSHGMRRFSA-N 2 2 361.486 0.767 10 0 FCAELP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@]3(C)C[C@H](O)C[NH+]3C)C2)cc1 ZINC000913756828 1197125114 /nfs/dbraw/zinc/12/51/14/1197125114.db2.gz GJBMKWXHKJMNGR-NSHGMRRFSA-N 2 2 361.486 0.767 10 0 FCAELP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)Nc2ccc3[nH+]ccn3c2)cn1 ZINC000746726769 1200935390 /nfs/dbraw/zinc/93/53/90/1200935390.db2.gz VZGZRWIFGWSOQA-UHFFFAOYSA-N 2 2 370.417 0.853 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)ccc2[nH+]1 ZINC000774249562 1206430423 /nfs/dbraw/zinc/43/04/23/1206430423.db2.gz DDWRRYMAAPKVNG-CABCVRRESA-N 2 2 357.414 0.561 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)ccc2[nH+]1 ZINC000774249562 1206430425 /nfs/dbraw/zinc/43/04/25/1206430425.db2.gz DDWRRYMAAPKVNG-CABCVRRESA-N 2 2 357.414 0.561 10 0 FCAELP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[NH+](CC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001488584821 1208541285 /nfs/dbraw/zinc/54/12/85/1208541285.db2.gz HZBRWJLGRQLBBR-ARFHVFGLSA-N 2 2 350.507 0.776 10 0 FCAELP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[NH+](CC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001488584821 1208541293 /nfs/dbraw/zinc/54/12/93/1208541293.db2.gz HZBRWJLGRQLBBR-ARFHVFGLSA-N 2 2 350.507 0.776 10 0 FCAELP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@H+](CC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001488584821 1208541302 /nfs/dbraw/zinc/54/13/02/1208541302.db2.gz HZBRWJLGRQLBBR-ARFHVFGLSA-N 2 2 350.507 0.776 10 0 FCAELP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@@H+](CC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001488584821 1208541308 /nfs/dbraw/zinc/54/13/08/1208541308.db2.gz HZBRWJLGRQLBBR-ARFHVFGLSA-N 2 2 350.507 0.776 10 0 FCAELP CN(CC1CC1)C(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001488834705 1208556502 /nfs/dbraw/zinc/55/65/02/1208556502.db2.gz NOBGPWHYTKPFAC-KLHDSHLOSA-N 2 2 359.474 0.866 10 0 FCAELP CN(CC1CC1)C(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001488834705 1208556507 /nfs/dbraw/zinc/55/65/07/1208556507.db2.gz NOBGPWHYTKPFAC-KLHDSHLOSA-N 2 2 359.474 0.866 10 0 FCAELP CCO[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C[NH2+]CCCOC ZINC001489010183 1208605222 /nfs/dbraw/zinc/60/52/22/1208605222.db2.gz BCZIEDMVCLQJRV-GVDBMIGSSA-N 2 2 364.490 0.935 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC(=O)NC[C@@H]1CCOC1 ZINC001489145558 1208643484 /nfs/dbraw/zinc/64/34/84/1208643484.db2.gz UBZLERMENJDVNZ-YESZJQIVSA-N 2 2 366.506 0.204 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC(=O)NC[C@@H]1CCOC1 ZINC001489145558 1208643492 /nfs/dbraw/zinc/64/34/92/1208643492.db2.gz UBZLERMENJDVNZ-YESZJQIVSA-N 2 2 366.506 0.204 10 0 FCAELP CC(C)COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001489209601 1208674596 /nfs/dbraw/zinc/67/45/96/1208674596.db2.gz WFRKPDHRADWHTM-FGTMMUONSA-N 2 2 364.490 0.697 10 0 FCAELP CC(C)COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001489209601 1208674600 /nfs/dbraw/zinc/67/46/00/1208674600.db2.gz WFRKPDHRADWHTM-FGTMMUONSA-N 2 2 364.490 0.697 10 0 FCAELP 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PXUXCKILOUGWPR-QGZVFWFLSA-N 2 2 368.522 0.404 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@]3(C)CCCCO3)C2)CC1 ZINC000930173694 1211694448 /nfs/dbraw/zinc/69/44/48/1211694448.db2.gz LDYJKTSXQJSRMI-DNVCBOLYSA-N 2 2 366.506 0.347 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@]3(C)CCCCO3)C2)CC1 ZINC000930173694 1211694459 /nfs/dbraw/zinc/69/44/59/1211694459.db2.gz LDYJKTSXQJSRMI-DNVCBOLYSA-N 2 2 366.506 0.347 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[N@H+](C)[C@H](CO)C2)CC1 ZINC000931408349 1211754559 /nfs/dbraw/zinc/75/45/59/1211754559.db2.gz AUABPLOJDYYNPS-HKUYNNGSSA-N 2 2 360.502 0.500 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[N@@H+](C)[C@H](CO)C2)CC1 ZINC000931408349 1211754561 /nfs/dbraw/zinc/75/45/61/1211754561.db2.gz AUABPLOJDYYNPS-HKUYNNGSSA-N 2 2 360.502 0.500 10 0 FCAELP CC1(C)CNC(=O)[C@H]1[NH2+]CC(C[NH2+][C@@H]1C(=O)NCC1(C)C)c1ccccc1 ZINC000931652609 1211768631 /nfs/dbraw/zinc/76/86/31/1211768631.db2.gz PPNLWVQXKYKDEK-IAGOWNOFSA-N 2 2 372.513 0.999 10 0 FCAELP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000934724880 1211866160 /nfs/dbraw/zinc/86/61/60/1211866160.db2.gz JCVIBHMDQFKDCF-KSZLIROESA-N 2 2 367.490 0.236 10 0 FCAELP C[C@H]1CN(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC[N@@H+]1CCO ZINC000778266793 1211867217 /nfs/dbraw/zinc/86/72/17/1211867217.db2.gz ZPPXSFNPXSQZOH-INIZCTEOSA-N 2 2 361.490 0.969 10 0 FCAELP C[C@H]1CN(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC[N@H+]1CCO ZINC000778266793 1211867220 /nfs/dbraw/zinc/86/72/20/1211867220.db2.gz ZPPXSFNPXSQZOH-INIZCTEOSA-N 2 2 361.490 0.969 10 0 FCAELP C/C(=C/C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)C[NH+]1CCOCC1 ZINC000900066597 1217959028 /nfs/dbraw/zinc/95/90/28/1217959028.db2.gz VCQKPMWIBNPNCA-LGMDPLHJSA-N 2 2 373.501 0.728 10 0 FCAELP CN1CC[N@H+](CCCNC(=O)[C@]2(C)C[C@H](O)C[NH+]2C)[C@@H](c2ccccc2)C1 ZINC000900164392 1217965907 /nfs/dbraw/zinc/96/59/07/1217965907.db2.gz VXXCKSFDAGVKDA-ZVDOUQERSA-N 2 2 374.529 0.937 10 0 FCAELP CN1CC[N@@H+](CCCNC(=O)[C@]2(C)C[C@H](O)C[NH+]2C)[C@@H](c2ccccc2)C1 ZINC000900164392 1217965910 /nfs/dbraw/zinc/96/59/10/1217965910.db2.gz VXXCKSFDAGVKDA-ZVDOUQERSA-N 2 2 374.529 0.937 10 0 FCAELP CN1CC[NH+](CCCNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)[C@@H](c2ccccc2)C1 ZINC000900164392 1217965914 /nfs/dbraw/zinc/96/59/14/1217965914.db2.gz VXXCKSFDAGVKDA-ZVDOUQERSA-N 2 2 374.529 0.937 10 0 FCAELP CN1CC[NH+](CCCNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)[C@@H](c2ccccc2)C1 ZINC000900164392 1217965917 /nfs/dbraw/zinc/96/59/17/1217965917.db2.gz VXXCKSFDAGVKDA-ZVDOUQERSA-N 2 2 374.529 0.937 10 0 FCAELP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCCN1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000900164392 1217965919 /nfs/dbraw/zinc/96/59/19/1217965919.db2.gz VXXCKSFDAGVKDA-ZVDOUQERSA-N 2 2 374.529 0.937 10 0 FCAELP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCCN1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000900164392 1217965923 /nfs/dbraw/zinc/96/59/23/1217965923.db2.gz VXXCKSFDAGVKDA-ZVDOUQERSA-N 2 2 374.529 0.937 10 0 FCAELP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000900164392 1217965926 /nfs/dbraw/zinc/96/59/26/1217965926.db2.gz VXXCKSFDAGVKDA-ZVDOUQERSA-N 2 2 374.529 0.937 10 0 FCAELP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000900164392 1217965929 /nfs/dbraw/zinc/96/59/29/1217965929.db2.gz VXXCKSFDAGVKDA-ZVDOUQERSA-N 2 2 374.529 0.937 10 0 FCAELP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1cccc(C[NH+]2CCC[C@H]2C(N)=O)c1 ZINC000900326633 1217980793 /nfs/dbraw/zinc/98/07/93/1217980793.db2.gz PWCFVQBIGZDLGP-GJYPPUQNSA-N 2 2 360.458 0.530 10 0 FCAELP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1cccc(C[NH+]2CCC[C@H]2C(N)=O)c1 ZINC000900326633 1217980802 /nfs/dbraw/zinc/98/08/02/1217980802.db2.gz PWCFVQBIGZDLGP-GJYPPUQNSA-N 2 2 360.458 0.530 10 0 FCAELP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000900326633 1217980812 /nfs/dbraw/zinc/98/08/12/1217980812.db2.gz PWCFVQBIGZDLGP-GJYPPUQNSA-N 2 2 360.458 0.530 10 0 FCAELP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000900326633 1217980820 /nfs/dbraw/zinc/98/08/20/1217980820.db2.gz PWCFVQBIGZDLGP-GJYPPUQNSA-N 2 2 360.458 0.530 10 0 FCAELP C[C@H]1CO[C@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000900606979 1218012403 /nfs/dbraw/zinc/01/24/03/1218012403.db2.gz WPUIEIYZFUDKDK-WBVHZDCISA-N 2 2 366.506 0.108 10 0 FCAELP CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900657677 1218019877 /nfs/dbraw/zinc/01/98/77/1218019877.db2.gz AJGZMXLOBHQVKD-SFHVURJKSA-N 2 2 356.474 0.971 10 0 FCAELP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900657677 1218019880 /nfs/dbraw/zinc/01/98/80/1218019880.db2.gz AJGZMXLOBHQVKD-SFHVURJKSA-N 2 2 356.474 0.971 10 0 FCAELP CC1(C)CN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@H]1[NH3+] ZINC000903557513 1218448206 /nfs/dbraw/zinc/44/82/06/1218448206.db2.gz BZYCIZBODDCVIR-GOSISDBHSA-N 2 2 360.502 0.804 10 0 FCAELP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC[C@@H]1C(F)(F)F ZINC000903731368 1218509614 /nfs/dbraw/zinc/50/96/14/1218509614.db2.gz DNSKXTUKQHVSCB-NWDGAFQWSA-N 2 2 373.379 0.854 10 0 FCAELP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC[C@H]1C(F)(F)F ZINC000903731370 1218510201 /nfs/dbraw/zinc/51/02/01/1218510201.db2.gz DNSKXTUKQHVSCB-VXGBXAGGSA-N 2 2 373.379 0.854 10 0 FCAELP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000804050773 1219102665 /nfs/dbraw/zinc/10/26/65/1219102665.db2.gz KZIXPZUWQPVJGG-HUUCEWRRSA-N 2 2 361.446 0.095 10 0 FCAELP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000804050773 1219102670 /nfs/dbraw/zinc/10/26/70/1219102670.db2.gz KZIXPZUWQPVJGG-HUUCEWRRSA-N 2 2 361.446 0.095 10 0 FCAELP Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC[N@H+](CC(N)=O)CC2)CC1 ZINC000751893223 1220044964 /nfs/dbraw/zinc/04/49/64/1220044964.db2.gz QZYJQJILSFKZHL-UHFFFAOYSA-N 2 2 359.474 0.626 10 0 FCAELP Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)CC1 ZINC000751893223 1220044968 /nfs/dbraw/zinc/04/49/68/1220044968.db2.gz QZYJQJILSFKZHL-UHFFFAOYSA-N 2 2 359.474 0.626 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCCNC(=O)C2([NH+]3CCOCC3)CCCC2)CC[N@@H+]1C ZINC001491335971 1220117051 /nfs/dbraw/zinc/11/70/51/1220117051.db2.gz ZGAWGVFFTARURL-HZPDHXFCSA-N 2 2 366.506 0.204 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCCNC(=O)C2([NH+]3CCOCC3)CCCC2)CC[N@H+]1C ZINC001491335971 1220117054 /nfs/dbraw/zinc/11/70/54/1220117054.db2.gz ZGAWGVFFTARURL-HZPDHXFCSA-N 2 2 366.506 0.204 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC3(CNC(=O)O3)CC2)C1 ZINC000782000115 1221121566 /nfs/dbraw/zinc/12/15/66/1221121566.db2.gz MGCXPOQGBROKLC-HNNXBMFYSA-N 2 2 368.478 0.034 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC3(CNC(=O)O3)CC2)C1 ZINC000782000115 1221121567 /nfs/dbraw/zinc/12/15/67/1221121567.db2.gz MGCXPOQGBROKLC-HNNXBMFYSA-N 2 2 368.478 0.034 10 0 FCAELP C[NH2+][C@@H](C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)c1cnn(C)c1 ZINC001118572082 1221802049 /nfs/dbraw/zinc/80/20/49/1221802049.db2.gz MXTCTYFXZLJHBR-RTBURBONSA-N 2 2 370.501 0.613 10 0 FCAELP C[NH2+][C@@H](C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)c1cnn(C)c1 ZINC001118572082 1221802052 /nfs/dbraw/zinc/80/20/52/1221802052.db2.gz MXTCTYFXZLJHBR-RTBURBONSA-N 2 2 370.501 0.613 10 0 FCAELP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)cn1 ZINC001119595906 1221938955 /nfs/dbraw/zinc/93/89/55/1221938955.db2.gz HLSJZWUVSPKNLB-YESZJQIVSA-N 2 2 357.462 0.352 10 0 FCAELP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)cn1 ZINC001119595906 1221938960 /nfs/dbraw/zinc/93/89/60/1221938960.db2.gz HLSJZWUVSPKNLB-YESZJQIVSA-N 2 2 357.462 0.352 10 0 FCAELP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)[nH]n1 ZINC001142898860 1222853755 /nfs/dbraw/zinc/85/37/55/1222853755.db2.gz RJQBIIMCYMIOJA-XJKSGUPXSA-N 2 2 362.478 0.494 10 0 FCAELP C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)[nH]n1 ZINC001142898860 1222853756 /nfs/dbraw/zinc/85/37/56/1222853756.db2.gz RJQBIIMCYMIOJA-XJKSGUPXSA-N 2 2 362.478 0.494 10 0 FCAELP C[NH+]1CCC[C@@H]1c1cc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)[nH]n1 ZINC001142898860 1222853757 /nfs/dbraw/zinc/85/37/57/1222853757.db2.gz RJQBIIMCYMIOJA-XJKSGUPXSA-N 2 2 362.478 0.494 10 0 FCAELP C[NH+]1CCC[C@@H]1c1cc(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)[nH]n1 ZINC001142898860 1222853758 /nfs/dbraw/zinc/85/37/58/1222853758.db2.gz RJQBIIMCYMIOJA-XJKSGUPXSA-N 2 2 362.478 0.494 10 0 FCAELP C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)[nH]n1 ZINC001142898858 1222853791 /nfs/dbraw/zinc/85/37/91/1222853791.db2.gz RJQBIIMCYMIOJA-CJNGLKHVSA-N 2 2 362.478 0.494 10 0 FCAELP C[N@H+]1CCC[C@H]1c1cc(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)[nH]n1 ZINC001142898858 1222853793 /nfs/dbraw/zinc/85/37/93/1222853793.db2.gz RJQBIIMCYMIOJA-CJNGLKHVSA-N 2 2 362.478 0.494 10 0 FCAELP C[NH+]1CCC[C@H]1c1cc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)[nH]n1 ZINC001142898858 1222853795 /nfs/dbraw/zinc/85/37/95/1222853795.db2.gz RJQBIIMCYMIOJA-CJNGLKHVSA-N 2 2 362.478 0.494 10 0 FCAELP C[NH+]1CCC[C@H]1c1cc(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)[nH]n1 ZINC001142898858 1222853796 /nfs/dbraw/zinc/85/37/96/1222853796.db2.gz RJQBIIMCYMIOJA-CJNGLKHVSA-N 2 2 362.478 0.494 10 0 FCAELP C[C@@H]1[C@H](C(=O)N(C)C2C[NH+](C[C@@H](O)COCC(F)(F)F)C2)CC[N@@H+]1C ZINC001671133179 1223000542 /nfs/dbraw/zinc/00/05/42/1223000542.db2.gz JEOITZDIMZTVFZ-MRVWCRGKSA-N 2 2 367.412 0.409 10 0 FCAELP C[C@@H]1[C@H](C(=O)N(C)C2C[NH+](C[C@@H](O)COCC(F)(F)F)C2)CC[N@H+]1C ZINC001671133179 1223000544 /nfs/dbraw/zinc/00/05/44/1223000544.db2.gz JEOITZDIMZTVFZ-MRVWCRGKSA-N 2 2 367.412 0.409 10 0 FCAELP C[C@H]1CN(C(=[NH2+])NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000849093596 1245392201 /nfs/dbraw/zinc/39/22/01/1245392201.db2.gz BKJXRYJDJCIDKJ-HNNXBMFYSA-N 2 2 360.462 0.365 10 0 FCAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC2(CC1)C[C@H](O)CNC2=O ZINC000932839331 1245744167 /nfs/dbraw/zinc/74/41/67/1245744167.db2.gz KWJZLFFWPFIOGM-ZWKOTPCHSA-N 2 2 361.486 0.442 10 0 FCAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC2(CC1)C[C@H](O)CNC2=O ZINC000932839331 1245744174 /nfs/dbraw/zinc/74/41/74/1245744174.db2.gz KWJZLFFWPFIOGM-ZWKOTPCHSA-N 2 2 361.486 0.442 10 0 FCAELP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC001327830961 1265437181 /nfs/dbraw/zinc/43/71/81/1265437181.db2.gz UEKSHCLJVKEBBR-UHFFFAOYSA-N 2 2 353.426 0.497 10 0 FCAELP C[C@@H]1COCC[C@@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001329358075 1265741257 /nfs/dbraw/zinc/74/12/57/1265741257.db2.gz VAZLPJYSHMLHIT-PVAVHDDUSA-N 2 2 366.506 0.155 10 0 FCAELP C[C@@H]1COCC[C@@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001329358075 1265741261 /nfs/dbraw/zinc/74/12/61/1265741261.db2.gz VAZLPJYSHMLHIT-PVAVHDDUSA-N 2 2 366.506 0.155 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC001520035996 1265832163 /nfs/dbraw/zinc/83/21/63/1265832163.db2.gz GMUPQCZLUROLQD-IRXDYDNUSA-N 3 2 356.559 0.194 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CCc2[nH+]ccn2C)CCN1C(=O)COCC[NH+](C)C ZINC001520961717 1266051751 /nfs/dbraw/zinc/05/17/51/1266051751.db2.gz ORKBVPUWOBBLKW-CABCVRRESA-N 2 2 365.478 0.037 10 0 FCAELP C[NH+](C)CCCC(=O)N1C[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@]2(C)C1 ZINC001521675725 1266162197 /nfs/dbraw/zinc/16/21/97/1266162197.db2.gz QBSUSJRDJUXVKN-HNAYVOBHSA-N 2 2 361.490 0.991 10 0 FCAELP C[NH+](C)CCCC(=O)N1C[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC001521675725 1266162203 /nfs/dbraw/zinc/16/22/03/1266162203.db2.gz QBSUSJRDJUXVKN-HNAYVOBHSA-N 2 2 361.490 0.991 10 0 FCAELP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001521945904 1266248746 /nfs/dbraw/zinc/24/87/46/1266248746.db2.gz PONPKRRCXPGVLA-ZACQAIPSSA-N 2 2 361.490 0.968 10 0 FCAELP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001521945904 1266248753 /nfs/dbraw/zinc/24/87/53/1266248753.db2.gz PONPKRRCXPGVLA-ZACQAIPSSA-N 2 2 361.490 0.968 10 0 FCAELP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001521991340 1266282847 /nfs/dbraw/zinc/28/28/47/1266282847.db2.gz MDRXMPRLTGFFFS-OAGGEKHMSA-N 2 2 361.490 0.895 10 0 FCAELP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001521991340 1266282854 /nfs/dbraw/zinc/28/28/54/1266282854.db2.gz MDRXMPRLTGFFFS-OAGGEKHMSA-N 2 2 361.490 0.895 10 0 FCAELP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001521991340 1266282859 /nfs/dbraw/zinc/28/28/59/1266282859.db2.gz MDRXMPRLTGFFFS-OAGGEKHMSA-N 2 2 361.490 0.895 10 0 FCAELP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001521991340 1266282867 /nfs/dbraw/zinc/28/28/67/1266282867.db2.gz MDRXMPRLTGFFFS-OAGGEKHMSA-N 2 2 361.490 0.895 10 0 FCAELP 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C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CCNC(=O)NC(C)(C)C ZINC001714242861 1287316973 /nfs/dbraw/zinc/31/69/73/1287316973.db2.gz CEYGSPSJKQNBKO-YNEHKIRRSA-N 2 2 350.467 0.705 10 0 FCAELP C[C@H]1C[C@@H](C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@@H+]1C ZINC001580969497 1279170412 /nfs/dbraw/zinc/17/04/12/1279170412.db2.gz SUDQKXXUHLFZLY-CAOSSQGBSA-N 2 2 361.490 0.829 10 0 FCAELP C[C@H]1C[C@@H](C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@H+]1C ZINC001580969497 1279170422 /nfs/dbraw/zinc/17/04/22/1279170422.db2.gz SUDQKXXUHLFZLY-CAOSSQGBSA-N 2 2 361.490 0.829 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(C[NH2+][C@H]2CCCNC2=O)CCCC1 ZINC001715107769 1287344415 /nfs/dbraw/zinc/34/44/15/1287344415.db2.gz YONQERZKEIWEEP-KFWWJZLASA-N 2 2 359.474 0.821 10 0 FCAELP O=C(NC/C=C\C[NH2+]C/C=C/Cl)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001716324120 1287376832 /nfs/dbraw/zinc/37/68/32/1287376832.db2.gz AEISDBLOCJGHFV-RLHJTHLGSA-N 2 2 357.882 0.881 10 0 FCAELP Cc1cc(C)n(CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n1 ZINC001716100559 1287372074 /nfs/dbraw/zinc/37/20/74/1287372074.db2.gz SITUCUGTCWJILI-BZUAXINKSA-N 2 2 360.462 0.104 10 0 FCAELP COc1cncc(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n1 ZINC001716346471 1287378414 /nfs/dbraw/zinc/37/84/14/1287378414.db2.gz MEUYQJZYQDETLY-LRPXVYOUSA-N 2 2 356.430 0.784 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](C[NH2+]CC(=O)N1CCCC1)C1CC1 ZINC001716621504 1287384487 /nfs/dbraw/zinc/38/44/87/1287384487.db2.gz NQRLXDSVLYZVKQ-OAGGEKHMSA-N 2 2 359.474 0.630 10 0 FCAELP Cc1nc(C)n(CC[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n1 ZINC001716568578 1287384510 /nfs/dbraw/zinc/38/45/10/1287384510.db2.gz NTNOTBBFOXNBHT-HZPDHXFCSA-N 2 2 359.478 0.870 10 0 FCAELP Cn1cc(C[NH2+]C[C@]2(C)CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)nn1 ZINC001716873962 1287391802 /nfs/dbraw/zinc/39/18/02/1287391802.db2.gz DOLABDCLWSAOSC-RKVPGOIHSA-N 2 2 357.462 0.681 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCN1CCCC1=O ZINC001716784655 1287389689 /nfs/dbraw/zinc/38/96/89/1287389689.db2.gz CQGLKHCEZNNBLH-ARFHVFGLSA-N 2 2 359.474 0.727 10 0 FCAELP Cc1cc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)nn1C ZINC001717926889 1287446376 /nfs/dbraw/zinc/44/63/76/1287446376.db2.gz GYABVKVQHDQDFZ-BZUAXINKSA-N 2 2 360.462 0.175 10 0 FCAELP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)CC[NH+]2CC[C@H](F)C2)CC1 ZINC001632788225 1282208557 /nfs/dbraw/zinc/20/85/57/1282208557.db2.gz RDXSPVUNPDVKOQ-INIZCTEOSA-N 2 2 356.486 0.823 10 0 FCAELP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)CC[NH+]2CC[C@H](F)C2)CC1 ZINC001632788225 1282208560 /nfs/dbraw/zinc/20/85/60/1282208560.db2.gz RDXSPVUNPDVKOQ-INIZCTEOSA-N 2 2 356.486 0.823 10 0 FCAELP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)CC[N@@H+]2CC[C@H](F)C2)CC1 ZINC001632788225 1282208566 /nfs/dbraw/zinc/20/85/66/1282208566.db2.gz RDXSPVUNPDVKOQ-INIZCTEOSA-N 2 2 356.486 0.823 10 0 FCAELP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)CC[N@H+]2CC[C@H](F)C2)CC1 ZINC001632788225 1282208572 /nfs/dbraw/zinc/20/85/72/1282208572.db2.gz RDXSPVUNPDVKOQ-INIZCTEOSA-N 2 2 356.486 0.823 10 0 FCAELP CC(C)[N@H+](C)CC(=O)N[C@@]1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001585872353 1282248935 /nfs/dbraw/zinc/24/89/35/1282248935.db2.gz WEHYYAFJZLSZKE-CLCXKQKWSA-N 2 2 361.490 0.971 10 0 FCAELP CC(C)[N@@H+](C)CC(=O)N[C@@]1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001585872353 1282248942 /nfs/dbraw/zinc/24/89/42/1282248942.db2.gz WEHYYAFJZLSZKE-CLCXKQKWSA-N 2 2 361.490 0.971 10 0 FCAELP C[NH+](C)CC1(C(=O)N2CC[C@](C)(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001585875346 1282248983 /nfs/dbraw/zinc/24/89/83/1282248983.db2.gz BCBKEMSCFVOMLV-LBTNJELSSA-N 2 2 359.474 0.962 10 0 FCAELP C[NH+](C)CC1(C(=O)N2CC[C@](C)(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001585875346 1282248989 /nfs/dbraw/zinc/24/89/89/1282248989.db2.gz BCBKEMSCFVOMLV-LBTNJELSSA-N 2 2 359.474 0.962 10 0 FCAELP CC(C)[N@H+](C)CC(=O)N[C@]1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001585872356 1282249587 /nfs/dbraw/zinc/24/95/87/1282249587.db2.gz WEHYYAFJZLSZKE-SPYBWZPUSA-N 2 2 361.490 0.971 10 0 FCAELP CC(C)[N@@H+](C)CC(=O)N[C@]1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001585872356 1282249596 /nfs/dbraw/zinc/24/95/96/1282249596.db2.gz WEHYYAFJZLSZKE-SPYBWZPUSA-N 2 2 361.490 0.971 10 0 FCAELP CC[N@H+](C)C(C)(C)C(=O)NC[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001680811840 1283447524 /nfs/dbraw/zinc/44/75/24/1283447524.db2.gz ILPDWXRYYRDZAF-BFHYXJOUSA-N 2 2 365.478 0.179 10 0 FCAELP CC[N@@H+](C)C(C)(C)C(=O)NC[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001680811840 1283447536 /nfs/dbraw/zinc/44/75/36/1283447536.db2.gz ILPDWXRYYRDZAF-BFHYXJOUSA-N 2 2 365.478 0.179 10 0 FCAELP CC[N@H+](C)C(C)(C)C(=O)NC[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001680811840 1283447542 /nfs/dbraw/zinc/44/75/42/1283447542.db2.gz ILPDWXRYYRDZAF-BFHYXJOUSA-N 2 2 365.478 0.179 10 0 FCAELP CC[N@@H+](C)C(C)(C)C(=O)NC[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001680811840 1283447548 /nfs/dbraw/zinc/44/75/48/1283447548.db2.gz ILPDWXRYYRDZAF-BFHYXJOUSA-N 2 2 365.478 0.179 10 0 FCAELP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001719098550 1287721031 /nfs/dbraw/zinc/72/10/31/1287721031.db2.gz ISULGOFAWCKPBV-RBSFLKMASA-N 2 2 365.478 0.252 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC001702706784 1285802393 /nfs/dbraw/zinc/80/23/93/1285802393.db2.gz PMSUUFKLQAFEGB-WBVHZDCISA-N 2 2 370.457 0.910 10 0 FCAELP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001702807802 1285898212 /nfs/dbraw/zinc/89/82/12/1285898212.db2.gz NNVDQMWWEXMQOJ-HZPDHXFCSA-N 2 2 361.490 0.968 10 0 FCAELP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001702807802 1285898215 /nfs/dbraw/zinc/89/82/15/1285898215.db2.gz NNVDQMWWEXMQOJ-HZPDHXFCSA-N 2 2 361.490 0.968 10 0 FCAELP C[NH+](C)CC1(C(=O)NC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C2CC2)CC1 ZINC001703857171 1286155692 /nfs/dbraw/zinc/15/56/92/1286155692.db2.gz OLFICHHUSJCZSG-KFWWJZLASA-N 2 2 359.474 0.866 10 0 FCAELP C[NH+](C)CC1(C(=O)NC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C2CC2)CC1 ZINC001703857171 1286155695 /nfs/dbraw/zinc/15/56/95/1286155695.db2.gz OLFICHHUSJCZSG-KFWWJZLASA-N 2 2 359.474 0.866 10 0 FCAELP CC(C)[C@@H](C(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)[NH+](C)C ZINC001705344796 1286381171 /nfs/dbraw/zinc/38/11/71/1286381171.db2.gz UBJDTYBKLMVJLT-INMHGKMJSA-N 2 2 361.490 0.779 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1C[C@H](C)CS(C)(=O)=O ZINC001707203534 1286510327 /nfs/dbraw/zinc/51/03/27/1286510327.db2.gz LLFLXRYZVLPSJL-SOUVJXGZSA-N 2 2 356.492 0.533 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1C[C@H](C)CS(C)(=O)=O ZINC001707203534 1286510331 /nfs/dbraw/zinc/51/03/31/1286510331.db2.gz LLFLXRYZVLPSJL-SOUVJXGZSA-N 2 2 356.492 0.533 10 0 FCAELP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]2C1 ZINC001707220531 1287061709 /nfs/dbraw/zinc/06/17/09/1287061709.db2.gz ZYMMOVGKAWGRSV-YYIAUSFCSA-N 2 2 373.501 0.829 10 0 FCAELP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]2C1 ZINC001707220531 1287061717 /nfs/dbraw/zinc/06/17/17/1287061717.db2.gz ZYMMOVGKAWGRSV-YYIAUSFCSA-N 2 2 373.501 0.829 10 0 FCAELP COc1ccc([C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2[NH2+]CCCO)cc1 ZINC001707284593 1287133410 /nfs/dbraw/zinc/13/34/10/1287133410.db2.gz BYYRKJSYYVPQLW-DLBZAZTESA-N 2 2 358.442 0.927 10 0 FCAELP CO[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001719232611 1287911912 /nfs/dbraw/zinc/91/19/12/1287911912.db2.gz WIKUUJCQMNMMPH-NUEKZKHPSA-N 2 2 365.478 0.271 10 0 FCAELP CO[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001719232611 1287911917 /nfs/dbraw/zinc/91/19/17/1287911917.db2.gz WIKUUJCQMNMMPH-NUEKZKHPSA-N 2 2 365.478 0.271 10 0 FCAELP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001719462761 1288128565 /nfs/dbraw/zinc/12/85/65/1288128565.db2.gz LCUSOOWYOKVSPV-JKSUJKDBSA-N 2 2 359.474 0.770 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)C)CC[N@@H+]1C ZINC001721671649 1288365538 /nfs/dbraw/zinc/36/55/38/1288365538.db2.gz OGVFTLOUPDCYGN-GVDBMIGSSA-N 2 2 363.506 0.950 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)C)CC[N@H+]1C ZINC001721671649 1288365547 /nfs/dbraw/zinc/36/55/47/1288365547.db2.gz OGVFTLOUPDCYGN-GVDBMIGSSA-N 2 2 363.506 0.950 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[NH+](Cc3cscn3)C2)CC[N@@H+]1C ZINC001724396255 1288437371 /nfs/dbraw/zinc/43/73/71/1288437371.db2.gz APVHCDXSNLMGKN-UXLLHSPISA-N 2 2 352.504 0.926 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[NH+](Cc3cscn3)C2)CC[N@H+]1C ZINC001724396255 1288437378 /nfs/dbraw/zinc/43/73/78/1288437378.db2.gz APVHCDXSNLMGKN-UXLLHSPISA-N 2 2 352.504 0.926 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](Cc3cscn3)C2)CC[NH+]1C ZINC001724396255 1288437385 /nfs/dbraw/zinc/43/73/85/1288437385.db2.gz APVHCDXSNLMGKN-UXLLHSPISA-N 2 2 352.504 0.926 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](Cc3cscn3)C2)CC[NH+]1C ZINC001724396255 1288437392 /nfs/dbraw/zinc/43/73/92/1288437392.db2.gz APVHCDXSNLMGKN-UXLLHSPISA-N 2 2 352.504 0.926 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(CCO)CC[NH2+]C[C@H]1CCCOC1 ZINC001724681289 1288448142 /nfs/dbraw/zinc/44/81/42/1288448142.db2.gz NVKWBAFUSHKDLO-BZUAXINKSA-N 2 2 350.463 0.361 10 0 FCAELP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCO[C@H](C[NH2+]CCOCC(F)F)C1 ZINC001724814418 1288450886 /nfs/dbraw/zinc/45/08/86/1288450886.db2.gz ISURSORXWDWOMU-JHJVBQTASA-N 2 2 358.389 0.612 10 0 FCAELP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCO[C@H](C[NH2+]CCOCC(F)F)C1 ZINC001724814418 1288450889 /nfs/dbraw/zinc/45/08/89/1288450889.db2.gz ISURSORXWDWOMU-JHJVBQTASA-N 2 2 358.389 0.612 10 0 FCAELP CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CCO1 ZINC001724816724 1288451131 /nfs/dbraw/zinc/45/11/31/1288451131.db2.gz SDOGJVLCSZJFPM-KURKYZTESA-N 2 2 369.506 0.483 10 0 FCAELP C[C@@H](O)CCC[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCOCC1 ZINC001724916849 1288455296 /nfs/dbraw/zinc/45/52/96/1288455296.db2.gz HRNHBSCSBZLLNZ-RBSFLKMASA-N 2 2 350.463 0.929 10 0 FCAELP C[C@@H](O)CCC[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCOCC1 ZINC001724916849 1288455302 /nfs/dbraw/zinc/45/53/02/1288455302.db2.gz HRNHBSCSBZLLNZ-RBSFLKMASA-N 2 2 350.463 0.929 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001731367706 1288554442 /nfs/dbraw/zinc/55/44/42/1288554442.db2.gz MDTVNTFXWADVKJ-BRWVUGGUSA-N 2 2 361.490 0.294 10 0 FCAELP CC[C@H](C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1)OC ZINC001731450312 1288557615 /nfs/dbraw/zinc/55/76/15/1288557615.db2.gz OSPAVZTXJBIZOZ-ZKXLYKBJSA-N 2 2 369.506 0.528 10 0 FCAELP C[C@@H](C[NH2+]CC(=O)N(C)CC1CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001732441202 1288584725 /nfs/dbraw/zinc/58/47/25/1288584725.db2.gz UNSHUHQQRQFWIL-NUEKZKHPSA-N 2 2 361.490 0.829 10 0 FCAELP C[C@H](CC[NH2+]CC(=O)NCC(F)(F)F)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001732702728 1288592208 /nfs/dbraw/zinc/59/22/08/1288592208.db2.gz RXFROGWEYLFSKB-GMTAPVOTSA-N 2 2 361.368 0.676 10 0 FCAELP C[C@H](CC[NH2+]CC(=O)NCC(F)(F)F)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001732702728 1288592212 /nfs/dbraw/zinc/59/22/12/1288592212.db2.gz RXFROGWEYLFSKB-GMTAPVOTSA-N 2 2 361.368 0.676 10 0 FCAELP C[C@@H](CC[NH2+]CC(=O)NCC(F)(F)F)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001732702733 1288592536 /nfs/dbraw/zinc/59/25/36/1288592536.db2.gz RXFROGWEYLFSKB-HBNTYKKESA-N 2 2 361.368 0.676 10 0 FCAELP C[C@@H](CC[NH2+]CC(=O)NCC(F)(F)F)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001732702733 1288592543 /nfs/dbraw/zinc/59/25/43/1288592543.db2.gz RXFROGWEYLFSKB-HBNTYKKESA-N 2 2 361.368 0.676 10 0 FCAELP 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C[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@H+](C)CC(=O)N(C)c1nccs1 ZINC001275836638 861220717 /nfs/dbraw/zinc/22/07/17/861220717.db2.gz VEGOALKNQRIEGI-MGPQQGTHSA-N 2 2 367.519 0.883 10 0 FCAELP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@@H+](C)CC(=O)N(C)c1nccs1 ZINC001275836638 861220729 /nfs/dbraw/zinc/22/07/29/861220729.db2.gz VEGOALKNQRIEGI-MGPQQGTHSA-N 2 2 367.519 0.883 10 0 FCAELP C[C@H](NC(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1)[C@H]1CN(C)CC[N@@H+]1C ZINC001123693451 848624979 /nfs/dbraw/zinc/62/49/79/848624979.db2.gz AICRLZUJUGTYJC-IECFSIQFSA-N 2 2 351.539 0.992 10 0 FCAELP C[C@H](NC(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1)[C@H]1CN(C)CC[N@H+]1C ZINC001123693451 848624982 /nfs/dbraw/zinc/62/49/82/848624982.db2.gz AICRLZUJUGTYJC-IECFSIQFSA-N 2 2 351.539 0.992 10 0 FCAELP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)CC1 ZINC001123705290 848627260 /nfs/dbraw/zinc/62/72/60/848627260.db2.gz LNRZJCLMFMKOIG-IXDOHACOSA-N 2 2 354.495 0.317 10 0 FCAELP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)CC1 ZINC001123705290 848627267 /nfs/dbraw/zinc/62/72/67/848627267.db2.gz LNRZJCLMFMKOIG-IXDOHACOSA-N 2 2 354.495 0.317 10 0 FCAELP C[C@H](CNC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC001123837167 848643815 /nfs/dbraw/zinc/64/38/15/848643815.db2.gz WWQJKBPJTDXDLZ-TWMKSMIVSA-N 2 2 355.527 0.419 10 0 FCAELP C[C@H](CNC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC001123837167 848643822 /nfs/dbraw/zinc/64/38/22/848643822.db2.gz WWQJKBPJTDXDLZ-TWMKSMIVSA-N 2 2 355.527 0.419 10 0 FCAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001197572763 853134720 /nfs/dbraw/zinc/13/47/20/853134720.db2.gz GKAGFTMOGOJGPS-DLBZAZTESA-N 2 2 355.504 0.350 10 0 FCAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001197572763 853134722 /nfs/dbraw/zinc/13/47/22/853134722.db2.gz GKAGFTMOGOJGPS-DLBZAZTESA-N 2 2 355.504 0.350 10 0 FCAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001197572763 853134726 /nfs/dbraw/zinc/13/47/26/853134726.db2.gz GKAGFTMOGOJGPS-DLBZAZTESA-N 2 2 355.504 0.350 10 0 FCAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001197572763 853134729 /nfs/dbraw/zinc/13/47/29/853134729.db2.gz GKAGFTMOGOJGPS-DLBZAZTESA-N 2 2 355.504 0.350 10 0 FCAELP CC(C)[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001278868870 862545647 /nfs/dbraw/zinc/54/56/47/862545647.db2.gz JUVZBSBGPWTAGJ-BBWFWOEESA-N 2 2 357.495 0.026 10 0 FCAELP CC(C)[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001278868870 862545658 /nfs/dbraw/zinc/54/56/58/862545658.db2.gz JUVZBSBGPWTAGJ-BBWFWOEESA-N 2 2 357.495 0.026 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CCCS(C)(=O)=O ZINC001264142314 859323914 /nfs/dbraw/zinc/32/39/14/859323914.db2.gz WTWASUVJNMSISS-KBMXLJTQSA-N 2 2 357.520 0.342 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@H+]1CCCS(C)(=O)=O ZINC001264142314 859323922 /nfs/dbraw/zinc/32/39/22/859323922.db2.gz WTWASUVJNMSISS-KBMXLJTQSA-N 2 2 357.520 0.342 10 0 FCAELP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](C[C@@H](C)CS(C)(=O)=O)[C@@H]1C ZINC001264174142 859343264 /nfs/dbraw/zinc/34/32/64/859343264.db2.gz UEYNLDVAUIIJJA-NFAWXSAZSA-N 2 2 356.492 0.451 10 0 FCAELP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](C[C@@H](C)CS(C)(=O)=O)[C@@H]1C ZINC001264174142 859343272 /nfs/dbraw/zinc/34/32/72/859343272.db2.gz UEYNLDVAUIIJJA-NFAWXSAZSA-N 2 2 356.492 0.451 10 0 FCAELP COC[C@@H](O)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001264183223 859346137 /nfs/dbraw/zinc/34/61/37/859346137.db2.gz KNBRZWFQAZHFKV-CAOSSQGBSA-N 2 2 350.463 0.833 10 0 FCAELP COC[C@@H](O)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001264183223 859346144 /nfs/dbraw/zinc/34/61/44/859346144.db2.gz KNBRZWFQAZHFKV-CAOSSQGBSA-N 2 2 350.463 0.833 10 0 FCAELP 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CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CCCS(=O)(=O)CC)C2)CC[N@@H+]1C ZINC001267682420 859514000 /nfs/dbraw/zinc/51/40/00/859514000.db2.gz WKEVHVYSLWQYHM-JKSUJKDBSA-N 2 2 359.536 0.590 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CCCS(=O)(=O)CC)C2)CC[N@H+]1C ZINC001267682420 859514006 /nfs/dbraw/zinc/51/40/06/859514006.db2.gz WKEVHVYSLWQYHM-JKSUJKDBSA-N 2 2 359.536 0.590 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCC1CCOCC1 ZINC001268322621 859530992 /nfs/dbraw/zinc/53/09/92/859530992.db2.gz RYGVFLTWNCQTON-ARFHVFGLSA-N 2 2 350.463 0.407 10 0 FCAELP Cc1csc(=O)n1CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001268661741 859537631 /nfs/dbraw/zinc/53/76/31/859537631.db2.gz IIPPPEWGFVHHBL-MRVWCRGKSA-N 2 2 363.487 0.850 10 0 FCAELP CC(C)NC(=O)NCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001283618330 864509535 /nfs/dbraw/zinc/50/95/35/864509535.db2.gz SMTNFYZDPPCGQB-BFHYXJOUSA-N 2 2 350.467 0.657 10 0 FCAELP CC(C)NC(=O)NCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001283618330 864509547 /nfs/dbraw/zinc/50/95/47/864509547.db2.gz SMTNFYZDPPCGQB-BFHYXJOUSA-N 2 2 350.467 0.657 10 0 FCAELP COC(C)(C)[C@@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001351164676 866797508 /nfs/dbraw/zinc/79/75/08/866797508.db2.gz LIANSZSHZFOICQ-KGLIPLIRSA-N 2 2 354.495 0.201 10 0 FCAELP COC(C)(C)[C@@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001351164676 866797514 /nfs/dbraw/zinc/79/75/14/866797514.db2.gz LIANSZSHZFOICQ-KGLIPLIRSA-N 2 2 354.495 0.201 10 0 FCAELP O=S1(=O)CCCN1C1CC[NH+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC001353944365 867523571 /nfs/dbraw/zinc/52/35/71/867523571.db2.gz UCNPDZMNGUBENB-HNNXBMFYSA-N 2 2 368.507 0.203 10 0 FCAELP CN(C(=O)NCC[C@@H]1CNC(=O)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001354256090 867569884 /nfs/dbraw/zinc/56/98/84/867569884.db2.gz MUQLAMKFDLGMRY-GOEBONIOSA-N 2 2 351.495 0.323 10 0 FCAELP CN(C(=O)NCC[C@@H]1CNC(=O)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001354256090 867569900 /nfs/dbraw/zinc/56/99/00/867569900.db2.gz MUQLAMKFDLGMRY-GOEBONIOSA-N 2 2 351.495 0.323 10 0 FCAELP C[C@@H](C[NH2+]Cc1cncs1)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001321929537 868669408 /nfs/dbraw/zinc/66/94/08/868669408.db2.gz KSGVCXZGBAUDST-LZWOXQAQSA-N 2 2 368.503 0.617 10 0 FCAELP C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H]1F ZINC001322724312 868920848 /nfs/dbraw/zinc/92/08/48/868920848.db2.gz KINFCMNLSDDCOT-IJEWVQPXSA-N 2 2 354.470 0.478 10 0 FCAELP C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H]1F ZINC001322724312 868920860 /nfs/dbraw/zinc/92/08/60/868920860.db2.gz KINFCMNLSDDCOT-IJEWVQPXSA-N 2 2 354.470 0.478 10 0 FCAELP Cc1cnc(C[NH+]2CC[C@](O)(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)s1 ZINC001325098398 869777062 /nfs/dbraw/zinc/77/70/62/869777062.db2.gz RUOPCBHFGCYNJP-CPUCHLNUSA-N 2 2 352.504 0.845 10 0 FCAELP Cc1cnc(C[NH+]2CC[C@](O)(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)s1 ZINC001325098398 869777069 /nfs/dbraw/zinc/77/70/69/869777069.db2.gz RUOPCBHFGCYNJP-CPUCHLNUSA-N 2 2 352.504 0.845 10 0 FCAELP Cc1cnc(C[N@H+]2CC[C@](O)(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)s1 ZINC001325098398 869777077 /nfs/dbraw/zinc/77/70/77/869777077.db2.gz RUOPCBHFGCYNJP-CPUCHLNUSA-N 2 2 352.504 0.845 10 0 FCAELP Cc1cnc(C[N@@H+]2CC[C@](O)(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)s1 ZINC001325098398 869777083 /nfs/dbraw/zinc/77/70/83/869777083.db2.gz RUOPCBHFGCYNJP-CPUCHLNUSA-N 2 2 352.504 0.845 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001327698803 871021395 /nfs/dbraw/zinc/02/13/95/871021395.db2.gz FBLPPDOHIRADLK-CAOSSQGBSA-N 2 2 354.495 0.010 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001327698803 871021410 /nfs/dbraw/zinc/02/14/10/871021410.db2.gz FBLPPDOHIRADLK-CAOSSQGBSA-N 2 2 354.495 0.010 10 0 FCAELP 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ZINC000410499265 529909305 /nfs/dbraw/zinc/90/93/05/529909305.db2.gz RRKGSUQJRWBHFC-INIZCTEOSA-N 2 2 366.506 0.251 10 0 FCAELP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC2)C1 ZINC000410499265 529909306 /nfs/dbraw/zinc/90/93/06/529909306.db2.gz RRKGSUQJRWBHFC-INIZCTEOSA-N 2 2 366.506 0.251 10 0 FCAELP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000410499265 529909308 /nfs/dbraw/zinc/90/93/08/529909308.db2.gz RRKGSUQJRWBHFC-INIZCTEOSA-N 2 2 366.506 0.251 10 0 FCAELP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000410499265 529909309 /nfs/dbraw/zinc/90/93/09/529909309.db2.gz RRKGSUQJRWBHFC-INIZCTEOSA-N 2 2 366.506 0.251 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000930827308 674064441 /nfs/dbraw/zinc/06/44/41/674064441.db2.gz CUCDLBANTMGTMO-ZDUSSCGKSA-N 2 2 367.519 0.669 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000930827308 674064443 /nfs/dbraw/zinc/06/44/43/674064443.db2.gz CUCDLBANTMGTMO-ZDUSSCGKSA-N 2 2 367.519 0.669 10 0 FCAELP C[C@@]1(F)C[NH2+]CCN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000333952241 215332914 /nfs/dbraw/zinc/33/29/14/215332914.db2.gz ZUCICPOOVXLIAB-QGZVFWFLSA-N 2 2 351.426 0.761 10 0 FCAELP CS(=O)(=O)N1CCC[C@H](C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000360778662 215371397 /nfs/dbraw/zinc/37/13/97/215371397.db2.gz XXNVPEUOQOFVSF-ZBFHGGJFSA-N 2 2 372.535 0.072 10 0 FCAELP CS(=O)(=O)N1CCC[C@H](C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000360778662 215371400 /nfs/dbraw/zinc/37/14/00/215371400.db2.gz XXNVPEUOQOFVSF-ZBFHGGJFSA-N 2 2 372.535 0.072 10 0 FCAELP CCNC(=O)N1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000361324405 215389856 /nfs/dbraw/zinc/38/98/56/215389856.db2.gz AMXUWANULLXPTO-CABCVRRESA-N 2 2 366.510 0.258 10 0 FCAELP CCNC(=O)N1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000361324405 215389858 /nfs/dbraw/zinc/38/98/58/215389858.db2.gz AMXUWANULLXPTO-CABCVRRESA-N 2 2 366.510 0.258 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)NC3CC[NH+](C(C)C)CC3)CC2)cc[nH+]1 ZINC000284751250 213211854 /nfs/dbraw/zinc/21/18/54/213211854.db2.gz IEDZINITUMUDOJ-UHFFFAOYSA-N 2 2 374.489 0.423 10 0 FCAELP O=C(NCc1cccnc1-n1cc[nH+]c1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000284199393 213096453 /nfs/dbraw/zinc/09/64/53/213096453.db2.gz HNFMOVHGNLMIOS-HZPDHXFCSA-N 2 2 368.441 0.627 10 0 FCAELP O=C(NCc1cccnc1-n1cc[nH+]c1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000284199393 213096454 /nfs/dbraw/zinc/09/64/54/213096454.db2.gz HNFMOVHGNLMIOS-HZPDHXFCSA-N 2 2 368.441 0.627 10 0 FCAELP O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000284197373 213095971 /nfs/dbraw/zinc/09/59/71/213095971.db2.gz DBAOIINAWGVXMY-HNNXBMFYSA-N 2 2 363.462 0.344 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCNC(=O)CC2(C)C)C1 ZINC000931206187 674099298 /nfs/dbraw/zinc/09/92/98/674099298.db2.gz NWCRCGIKCZDJTB-HNNXBMFYSA-N 2 2 354.495 0.060 10 0 FCAELP 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NSZOEQFORLIQFO-QGZVFWFLSA-N 2 2 372.473 0.843 10 0 FCAELP COC(=O)Cn1cc(CC[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)nn1 ZINC000195287617 209335288 /nfs/dbraw/zinc/33/52/88/209335288.db2.gz NSZOEQFORLIQFO-QGZVFWFLSA-N 2 2 372.473 0.843 10 0 FCAELP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194740254 209328359 /nfs/dbraw/zinc/32/83/59/209328359.db2.gz RRPUUKDYWBORJS-NVXWUHKLSA-N 2 2 371.547 0.828 10 0 FCAELP C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194740236 209327678 /nfs/dbraw/zinc/32/76/78/209327678.db2.gz RRPUUKDYWBORJS-DOTOQJQBSA-N 2 2 371.547 0.828 10 0 FCAELP CCOC(=O)C1CCC(O)(C[C@@H](O)C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)CC1 ZINC000931276876 674106737 /nfs/dbraw/zinc/10/67/37/674106737.db2.gz KUFGFANVTHLIFI-BSMYKHRBSA-N 2 2 354.491 0.714 10 0 FCAELP CCOC(=O)C1CCC(O)(C[C@@H](O)C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)CC1 ZINC000931276876 674106738 /nfs/dbraw/zinc/10/67/38/674106738.db2.gz KUFGFANVTHLIFI-BSMYKHRBSA-N 2 2 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CCS(=O)(=O)NCCCN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182583648 209132950 /nfs/dbraw/zinc/13/29/50/209132950.db2.gz RFGWBXYZPBHYGN-SJPCQFCGSA-N 2 2 358.552 0.559 10 0 FCAELP CCS(=O)(=O)NCCCN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182583648 209132953 /nfs/dbraw/zinc/13/29/53/209132953.db2.gz RFGWBXYZPBHYGN-SJPCQFCGSA-N 2 2 358.552 0.559 10 0 FCAELP CC(C)Nc1nc(N2CCCC[C@@H]([NH+]3CCCC3)C2)nc(NCCO)[nH+]1 ZINC000376214741 217370558 /nfs/dbraw/zinc/37/05/58/217370558.db2.gz ZIQBUPLPRKKJJE-OAHLLOKOSA-N 2 2 363.510 0.395 10 0 FCAELP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000931662788 674128459 /nfs/dbraw/zinc/12/84/59/674128459.db2.gz BBSCCTCRRHFQME-CYBMUJFWSA-N 2 2 353.492 0.374 10 0 FCAELP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000931662788 674128460 /nfs/dbraw/zinc/12/84/60/674128460.db2.gz BBSCCTCRRHFQME-CYBMUJFWSA-N 2 2 353.492 0.374 10 0 FCAELP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000419327875 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XWFGSZDHUVJHST-KRWDZBQOSA-N 2 2 355.442 0.758 10 0 FCAELP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000419677953 246244118 /nfs/dbraw/zinc/24/41/18/246244118.db2.gz DGOYQALPUFMHQL-ZBFHGGJFSA-N 2 2 371.441 0.570 10 0 FCAELP [NH3+][C@@H]1CN(C(=O)C(=O)NCCCn2cc[nH+]c2)CC[C@H]1c1ccc(F)cc1 ZINC000419722791 246270184 /nfs/dbraw/zinc/27/01/84/246270184.db2.gz MZFSDYPHEJZVLM-DLBZAZTESA-N 2 2 373.432 0.872 10 0 FCAELP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000419709417 246263002 /nfs/dbraw/zinc/26/30/02/246263002.db2.gz JTVKIWPQNDOUQV-INIZCTEOSA-N 2 2 366.893 0.914 10 0 FCAELP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000419709417 246263006 /nfs/dbraw/zinc/26/30/06/246263006.db2.gz JTVKIWPQNDOUQV-INIZCTEOSA-N 2 2 366.893 0.914 10 0 FCAELP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419715319 246264929 /nfs/dbraw/zinc/26/49/29/246264929.db2.gz VCPBVGOGVDPRJO-CQSZACIVSA-N 2 2 364.877 0.683 10 0 FCAELP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419715319 246264937 /nfs/dbraw/zinc/26/49/37/246264937.db2.gz VCPBVGOGVDPRJO-CQSZACIVSA-N 2 2 364.877 0.683 10 0 FCAELP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)NCC[NH3+] ZINC000419817409 246306320 /nfs/dbraw/zinc/30/63/20/246306320.db2.gz LUSOUIMKGQIQMV-WMLDXEAASA-N 2 2 361.490 0.524 10 0 FCAELP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)NCC[NH3+] ZINC000419817409 246306324 /nfs/dbraw/zinc/30/63/24/246306324.db2.gz LUSOUIMKGQIQMV-WMLDXEAASA-N 2 2 361.490 0.524 10 0 FCAELP [NH3+]CCNC(=O)C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000419817926 246306070 /nfs/dbraw/zinc/30/60/70/246306070.db2.gz NLLQGLQKLVVTME-UHFFFAOYSA-N 2 2 373.284 0.755 10 0 FCAELP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)s1 ZINC000419836050 246312888 /nfs/dbraw/zinc/31/28/88/246312888.db2.gz BFLTYYPVFOYIHZ-CQSZACIVSA-N 2 2 364.515 0.823 10 0 FCAELP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000419934159 246375226 /nfs/dbraw/zinc/37/52/26/246375226.db2.gz QVNSSEKYHUSVQG-KRWDZBQOSA-N 2 2 362.474 0.372 10 0 FCAELP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000419931838 246375361 /nfs/dbraw/zinc/37/53/61/246375361.db2.gz DEBKTOWGXFNSLO-MRXNPFEDSA-N 2 2 354.495 0.062 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000419900971 246359784 /nfs/dbraw/zinc/35/97/84/246359784.db2.gz SUUPYXBEKKDCQU-CVEARBPZSA-N 2 2 359.474 0.543 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N3CCC[C@H](C)[C@H]3C[NH3+])CC2)cc[nH+]1 ZINC000423729514 247129666 /nfs/dbraw/zinc/12/96/66/247129666.db2.gz KKUGKQATXYNRMC-DZGCQCFKSA-N 2 2 360.462 0.019 10 0 FCAELP CN(C)c1nc(N2CC[NH+](C[C@H](O)COC3CCOCC3)CC2)cc[nH+]1 ZINC000440665950 248202984 /nfs/dbraw/zinc/20/29/84/248202984.db2.gz HUTSTXWQPLXUJT-HNNXBMFYSA-N 2 2 365.478 0.221 10 0 FCAELP O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000452381565 249313611 /nfs/dbraw/zinc/31/36/11/249313611.db2.gz JUAPXYLDMWBYRR-QGZVFWFLSA-N 2 2 362.474 0.490 10 0 FCAELP O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000452381565 249313615 /nfs/dbraw/zinc/31/36/15/249313615.db2.gz JUAPXYLDMWBYRR-QGZVFWFLSA-N 2 2 362.474 0.490 10 0 FCAELP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccccc1OCC[NH+](C)C ZINC000270410189 211198627 /nfs/dbraw/zinc/19/86/27/211198627.db2.gz AVLXSEYMUBHENP-HNNXBMFYSA-N 2 2 360.414 0.864 10 0 FCAELP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccccc1OCC[NH+](C)C ZINC000270410189 211198631 /nfs/dbraw/zinc/19/86/31/211198631.db2.gz AVLXSEYMUBHENP-HNNXBMFYSA-N 2 2 360.414 0.864 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000270048256 211146633 /nfs/dbraw/zinc/14/66/33/211146633.db2.gz GXDJKNQDNOKGGS-INIZCTEOSA-N 2 2 374.489 0.466 10 0 FCAELP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000074167313 208051172 /nfs/dbraw/zinc/05/11/72/208051172.db2.gz OSDUFRAYQMCBAV-DLBZAZTESA-N 2 2 354.495 0.603 10 0 FCAELP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000074167313 208051177 /nfs/dbraw/zinc/05/11/77/208051177.db2.gz OSDUFRAYQMCBAV-DLBZAZTESA-N 2 2 354.495 0.603 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCCC[C@@H]2CN2CCOCC2)CC1 ZINC000075969058 208065557 /nfs/dbraw/zinc/06/55/57/208065557.db2.gz MQZBBWMYYBXMIF-ZWKOTPCHSA-N 2 2 352.523 0.726 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCCC[C@@H]2CN2CCOCC2)CC1 ZINC000075969058 208065562 /nfs/dbraw/zinc/06/55/62/208065562.db2.gz MQZBBWMYYBXMIF-ZWKOTPCHSA-N 2 2 352.523 0.726 10 0 FCAELP C[C@H](CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1)[NH+]1CCOCC1 ZINC000078030046 208078631 /nfs/dbraw/zinc/07/86/31/208078631.db2.gz KBNIGDLEKROAFK-QGZVFWFLSA-N 2 2 361.490 0.431 10 0 FCAELP COC[C@@](C)(CCO)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000085903691 208113549 /nfs/dbraw/zinc/11/35/49/208113549.db2.gz QGOHTIZTJFNZDC-GOSISDBHSA-N 2 2 350.463 0.497 10 0 FCAELP CC(C)[C@H](C)NC(=O)C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106123028 208209798 /nfs/dbraw/zinc/20/97/98/208209798.db2.gz VQXQJOSDFADZGQ-ZWKOTPCHSA-N 2 2 354.539 0.874 10 0 FCAELP CC(C)[C@H](C)NC(=O)C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106123028 208209801 /nfs/dbraw/zinc/20/98/01/208209801.db2.gz VQXQJOSDFADZGQ-ZWKOTPCHSA-N 2 2 354.539 0.874 10 0 FCAELP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CC[NH+](C2CC2)CC1 ZINC000105177935 208192395 /nfs/dbraw/zinc/19/23/95/208192395.db2.gz CZGBGDOERFHEEJ-KRWDZBQOSA-N 2 2 354.520 0.684 10 0 FCAELP CCCS(=O)(=O)CC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000109789541 208263422 /nfs/dbraw/zinc/26/34/22/208263422.db2.gz OXNOZRMOOBOWQR-UHFFFAOYSA-N 2 2 359.536 0.687 10 0 FCAELP c1ncc(C[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cn1 ZINC000112505935 208296100 /nfs/dbraw/zinc/29/61/00/208296100.db2.gz ZNIPGCIPIPPAKT-INIZCTEOSA-N 2 2 355.446 0.862 10 0 FCAELP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H](C)CS(C)(=O)=O)CC2)CC1 ZINC000119070867 208353124 /nfs/dbraw/zinc/35/31/24/208353124.db2.gz SLVUFKAHNWUMPJ-INIZCTEOSA-N 2 2 373.563 0.933 10 0 FCAELP CC(C)NC(=O)NC(=O)[C@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119663662 208365576 /nfs/dbraw/zinc/36/55/76/208365576.db2.gz SLHXYKFJNJIEQZ-PMRDEQMMSA-N 2 2 365.522 0.852 10 0 FCAELP CC(C)NC(=O)NC(=O)[C@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119663662 208365583 /nfs/dbraw/zinc/36/55/83/208365583.db2.gz SLHXYKFJNJIEQZ-PMRDEQMMSA-N 2 2 365.522 0.852 10 0 FCAELP CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119663662 208365588 /nfs/dbraw/zinc/36/55/88/208365588.db2.gz SLHXYKFJNJIEQZ-PMRDEQMMSA-N 2 2 365.522 0.852 10 0 FCAELP CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119663662 208365594 /nfs/dbraw/zinc/36/55/94/208365594.db2.gz SLHXYKFJNJIEQZ-PMRDEQMMSA-N 2 2 365.522 0.852 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@H]1[NH+]1CCOCC1 ZINC000180260080 209091823 /nfs/dbraw/zinc/09/18/23/209091823.db2.gz MRRZUVXMMRYTIR-MAUKXSAKSA-N 2 2 374.485 0.866 10 0 FCAELP C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C[C@@H]1C ZINC000177603982 209030014 /nfs/dbraw/zinc/03/00/14/209030014.db2.gz FVFWGHFCCHWNNV-UONOGXRCSA-N 2 2 360.458 0.484 10 0 FCAELP C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C[C@@H]1C ZINC000177603982 209030017 /nfs/dbraw/zinc/03/00/17/209030017.db2.gz FVFWGHFCCHWNNV-UONOGXRCSA-N 2 2 360.458 0.484 10 0 FCAELP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C[C@@H]1C ZINC000177603982 209030019 /nfs/dbraw/zinc/03/00/19/209030019.db2.gz FVFWGHFCCHWNNV-UONOGXRCSA-N 2 2 360.458 0.484 10 0 FCAELP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C[C@@H]1C ZINC000177603982 209030020 /nfs/dbraw/zinc/03/00/20/209030020.db2.gz FVFWGHFCCHWNNV-UONOGXRCSA-N 2 2 360.458 0.484 10 0 FCAELP CC(C)S(=O)(=O)CC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000178697260 209057808 /nfs/dbraw/zinc/05/78/08/209057808.db2.gz WTSKILOEBMXEGZ-UHFFFAOYSA-N 2 2 359.536 0.686 10 0 FCAELP Cc1nc(C[NH+]2CCC(C(=O)NC[C@H]3C[NH+]4CCN3CC4)CC2)cs1 ZINC000178724049 209058158 /nfs/dbraw/zinc/05/81/58/209058158.db2.gz DLHVXDGPPOLNCW-KRWDZBQOSA-N 2 2 363.531 0.780 10 0 FCAELP CN1CC(=O)N2CC[N@H+](Cc3ccc(C[NH+]4CCCC4)s3)C[C@H]2C1=O ZINC000065410151 221216227 /nfs/dbraw/zinc/21/62/27/221216227.db2.gz TUWZQFNQJQTYNZ-INIZCTEOSA-N 2 2 362.499 0.829 10 0 FCAELP CN1CC(=O)N2CC[N@@H+](Cc3ccc(C[NH+]4CCCC4)s3)C[C@H]2C1=O ZINC000065410151 221216231 /nfs/dbraw/zinc/21/62/31/221216231.db2.gz TUWZQFNQJQTYNZ-INIZCTEOSA-N 2 2 362.499 0.829 10 0 FCAELP Cc1cc(C)n2c(C[NH2+][C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cnc2n1 ZINC000178906435 209066582 /nfs/dbraw/zinc/06/65/82/209066582.db2.gz BDVGZUNCJLPTAK-INIZCTEOSA-N 2 2 372.473 0.369 10 0 FCAELP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@H]3C[NH+]4CCN3CC4)c2C1 ZINC000178964343 209067388 /nfs/dbraw/zinc/06/73/88/209067388.db2.gz DBUSTQPSZAZLGG-MRXNPFEDSA-N 2 2 371.485 0.467 10 0 FCAELP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@H]3C[NH+]4CCN3CC4)c2C1 ZINC000178964343 209067391 /nfs/dbraw/zinc/06/73/91/209067391.db2.gz DBUSTQPSZAZLGG-MRXNPFEDSA-N 2 2 371.485 0.467 10 0 FCAELP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@H]3C[NH+]4CCN3CC4)CC2)c1 ZINC000178970098 209069664 /nfs/dbraw/zinc/06/96/64/209069664.db2.gz RBHAJSUSRZTWNL-FQEVSTJZSA-N 2 2 371.529 0.623 10 0 FCAELP C[NH+]1CCN(Nc2[nH+]cnc(N3CCN(c4cccc[nH+]4)CC3)c2N)CC1 ZINC000040757015 136120477 /nfs/dbraw/zinc/12/04/77/136120477.db2.gz ULBPJCXDKHSLFD-UHFFFAOYSA-N 3 2 369.477 0.355 10 0 FCAELP C[NH+]1CCN(Nc2[nH+]cnc(N3CCN(c4ccccn4)CC3)c2N)CC1 ZINC000040757015 136120478 /nfs/dbraw/zinc/12/04/78/136120478.db2.gz ULBPJCXDKHSLFD-UHFFFAOYSA-N 2 2 369.477 0.355 10 0 FCAELP CCNC(=O)[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2CC)CN1Cc1[nH]cc[nH+]1 ZINC000096159688 222060482 /nfs/dbraw/zinc/06/04/82/222060482.db2.gz JCQAEBHVILTDJJ-KBPBESRZSA-N 2 2 373.461 0.064 10 0 FCAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000195266259 229274175 /nfs/dbraw/zinc/27/41/75/229274175.db2.gz LRTSYKMXUWHQKH-INIZCTEOSA-N 2 2 365.547 0.979 10 0 FCAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000195266259 229274179 /nfs/dbraw/zinc/27/41/79/229274179.db2.gz LRTSYKMXUWHQKH-INIZCTEOSA-N 2 2 365.547 0.979 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)[C@@H](C)[C@H](C)O1 ZINC000410968325 230331827 /nfs/dbraw/zinc/33/18/27/230331827.db2.gz DUCZQQZBTLKMRH-PMPSAXMXSA-N 2 2 368.522 0.495 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)[C@@H](C)[C@H](C)O1 ZINC000410968325 230331831 /nfs/dbraw/zinc/33/18/31/230331831.db2.gz DUCZQQZBTLKMRH-PMPSAXMXSA-N 2 2 368.522 0.495 10 0 FCAELP C[NH+](C)CC(=O)N1CCN(c2nc(NCCO)c3ccccc3[nH+]2)CC1 ZINC000523091816 484086754 /nfs/dbraw/zinc/08/67/54/484086754.db2.gz UHAZOQNUFBXQGE-UHFFFAOYSA-N 2 2 358.446 0.244 10 0 FCAELP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1cc[nH+]c(N2CCOCC2)n1 ZINC000528126889 484132411 /nfs/dbraw/zinc/13/24/11/484132411.db2.gz AXZLVYMNISPMHJ-GOSISDBHSA-N 2 2 363.462 0.341 10 0 FCAELP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1cc[nH+]c(N2CCOCC2)n1 ZINC000528126889 484132420 /nfs/dbraw/zinc/13/24/20/484132420.db2.gz AXZLVYMNISPMHJ-GOSISDBHSA-N 2 2 363.462 0.341 10 0 FCAELP Cc1cc(NCCNC(=O)C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000627417257 484359331 /nfs/dbraw/zinc/35/93/31/484359331.db2.gz UWQBJRYKYLCIKY-JSGCOSHPSA-N 2 2 362.478 0.551 10 0 FCAELP C[N@@H+]1CCCC[C@@H]1CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000302899360 488892786 /nfs/dbraw/zinc/89/27/86/488892786.db2.gz QDJANSWAKHCRDP-QGZVFWFLSA-N 2 2 360.506 0.920 10 0 FCAELP C[N@H+]1CCCC[C@@H]1CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000302899360 488892787 /nfs/dbraw/zinc/89/27/87/488892787.db2.gz QDJANSWAKHCRDP-QGZVFWFLSA-N 2 2 360.506 0.920 10 0 FCAELP Cn1ncc2c1nc(NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[nH+]c2N ZINC000302909746 488892874 /nfs/dbraw/zinc/89/28/74/488892874.db2.gz YTNMZZZRDLNAGX-UHFFFAOYSA-N 2 2 374.493 0.984 10 0 FCAELP O=C1C[C@@H]([NH2+]Cc2ccnn2-c2ccccc2)CN1CC[NH+]1CCOCC1 ZINC000279188566 488923348 /nfs/dbraw/zinc/92/33/48/488923348.db2.gz STKLTQVTIFDIHV-QGZVFWFLSA-N 2 2 369.469 0.895 10 0 FCAELP CCC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364205607 488935098 /nfs/dbraw/zinc/93/50/98/488935098.db2.gz HMHUMACPSKZXAH-DZGCQCFKSA-N 2 2 354.520 0.583 10 0 FCAELP CCC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364205607 488935100 /nfs/dbraw/zinc/93/51/00/488935100.db2.gz HMHUMACPSKZXAH-DZGCQCFKSA-N 2 2 354.520 0.583 10 0 FCAELP C[C@H](O)c1cn(CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)nn1 ZINC000364401422 488956211 /nfs/dbraw/zinc/95/62/11/488956211.db2.gz HBOHUABOROIBPT-HNNXBMFYSA-N 2 2 364.494 0.398 10 0 FCAELP CC[NH+]1CCN(CC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000029694111 487731114 /nfs/dbraw/zinc/73/11/14/487731114.db2.gz KMYRAQMCCGPOGG-IBGZPJMESA-N 2 2 360.502 0.641 10 0 FCAELP CC[NH+]1CCN(CC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000029694111 487731119 /nfs/dbraw/zinc/73/11/19/487731119.db2.gz KMYRAQMCCGPOGG-IBGZPJMESA-N 2 2 360.502 0.641 10 0 FCAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)C2 ZINC000364534857 488969744 /nfs/dbraw/zinc/96/97/44/488969744.db2.gz BQEFUYZIJLZTBO-AWEZNQCLSA-N 2 2 361.490 0.918 10 0 FCAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)CC2 ZINC000364534857 488969748 /nfs/dbraw/zinc/96/97/48/488969748.db2.gz BQEFUYZIJLZTBO-AWEZNQCLSA-N 2 2 361.490 0.918 10 0 FCAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)C2 ZINC000364534858 488970018 /nfs/dbraw/zinc/97/00/18/488970018.db2.gz BQEFUYZIJLZTBO-CQSZACIVSA-N 2 2 361.490 0.918 10 0 FCAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)CC2 ZINC000364534858 488970021 /nfs/dbraw/zinc/97/00/21/488970021.db2.gz BQEFUYZIJLZTBO-CQSZACIVSA-N 2 2 361.490 0.918 10 0 FCAELP CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000069261177 488371851 /nfs/dbraw/zinc/37/18/51/488371851.db2.gz FKFLOANGFUMZEG-HZPDHXFCSA-N 2 2 354.495 0.014 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](CCO)Cc2ccccc2)C1 ZINC000070927863 488376045 /nfs/dbraw/zinc/37/60/45/488376045.db2.gz XSDWRIDTTIXRDR-IBGZPJMESA-N 2 2 363.502 0.954 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](CCO)Cc2ccccc2)C1 ZINC000070927863 488376046 /nfs/dbraw/zinc/37/60/46/488376046.db2.gz XSDWRIDTTIXRDR-IBGZPJMESA-N 2 2 363.502 0.954 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](CCO)Cc2ccccc2)C1 ZINC000070927863 488376047 /nfs/dbraw/zinc/37/60/47/488376047.db2.gz XSDWRIDTTIXRDR-IBGZPJMESA-N 2 2 363.502 0.954 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](CCO)Cc2ccccc2)C1 ZINC000070927863 488376048 /nfs/dbraw/zinc/37/60/48/488376048.db2.gz XSDWRIDTTIXRDR-IBGZPJMESA-N 2 2 363.502 0.954 10 0 FCAELP CC[NH+]1CCN(CC(=O)N2CC[NH+](Cc3ccccc3OC)CC2)CC1 ZINC000073339045 488384453 /nfs/dbraw/zinc/38/44/53/488384453.db2.gz XVZRYWVYUXFSQT-UHFFFAOYSA-N 2 2 360.502 0.977 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCN(c3cc(OC)ncn3)CC2)CC1 ZINC000184076613 488394676 /nfs/dbraw/zinc/39/46/76/488394676.db2.gz RQLSSPOHUSEYFY-OAHLLOKOSA-N 2 2 362.478 0.160 10 0 FCAELP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000184705936 488397847 /nfs/dbraw/zinc/39/78/47/488397847.db2.gz WOICBKJZJQQFKS-INIZCTEOSA-N 2 2 370.538 0.831 10 0 FCAELP CC[C@H](CO)[NH+]1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000075959358 488400641 /nfs/dbraw/zinc/40/06/41/488400641.db2.gz BQODPTLSNBMEKE-HXUWFJFHSA-N 2 2 374.529 0.719 10 0 FCAELP C[C@@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C[C@H](CO)O1 ZINC000189794265 488415804 /nfs/dbraw/zinc/41/58/04/488415804.db2.gz SNXLTGUEPOCQPQ-IAGOWNOFSA-N 2 2 368.522 0.728 10 0 FCAELP CC[NH+]1CCN(c2ccc(CNC(=O)NCCn3cc[nH+]c3)cn2)CC1 ZINC000079254626 488428360 /nfs/dbraw/zinc/42/83/60/488428360.db2.gz NYYJSNSARKBHJP-UHFFFAOYSA-N 2 2 357.462 0.919 10 0 FCAELP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000569846076 491198502 /nfs/dbraw/zinc/19/85/02/491198502.db2.gz PGDLMJZACKOTTO-HUUCEWRRSA-N 2 2 352.431 0.591 10 0 FCAELP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000569846076 491198504 /nfs/dbraw/zinc/19/85/04/491198504.db2.gz PGDLMJZACKOTTO-HUUCEWRRSA-N 2 2 352.431 0.591 10 0 FCAELP C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000081386760 488442140 /nfs/dbraw/zinc/44/21/40/488442140.db2.gz GPEWDXPHCWJRSJ-QGZVFWFLSA-N 2 2 360.458 0.781 10 0 FCAELP C[N@H+]1CCO[C@@H](C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000081386760 488442141 /nfs/dbraw/zinc/44/21/41/488442141.db2.gz GPEWDXPHCWJRSJ-QGZVFWFLSA-N 2 2 360.458 0.781 10 0 FCAELP CC[NH+]1CCN(c2ccc(C(=O)N3CC[NH+](CCO)CC3)cc2F)CC1 ZINC000087084085 488453845 /nfs/dbraw/zinc/45/38/45/488453845.db2.gz UMKCDPGPAILDLL-UHFFFAOYSA-N 2 2 364.465 0.718 10 0 FCAELP CC[C@H](CO)N1CC[NH+](C[C@@H](C)CN2CC[NH+]([C@@H](CC)CO)CC2)CC1 ZINC000245434874 488464392 /nfs/dbraw/zinc/46/43/92/488464392.db2.gz CNUHBONSJFZAHI-OWZKRDHZSA-N 2 2 370.582 0.400 10 0 FCAELP CC[C@H](CO)[NH+]1CCN(C[C@@H](C)C[NH+]2CCN([C@@H](CC)CO)CC2)CC1 ZINC000245434874 488464396 /nfs/dbraw/zinc/46/43/96/488464396.db2.gz CNUHBONSJFZAHI-OWZKRDHZSA-N 2 2 370.582 0.400 10 0 FCAELP CC[C@H](CO)[NH+]1CCN(C[C@@H](C)CN2CC[NH+]([C@@H](CC)CO)CC2)CC1 ZINC000245434874 488464398 /nfs/dbraw/zinc/46/43/98/488464398.db2.gz CNUHBONSJFZAHI-OWZKRDHZSA-N 2 2 370.582 0.400 10 0 FCAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000245426283 488464460 /nfs/dbraw/zinc/46/44/60/488464460.db2.gz LEWOJTNIKQJWCR-BBRMVZONSA-N 2 2 368.503 0.935 10 0 FCAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000245426283 488464461 /nfs/dbraw/zinc/46/44/61/488464461.db2.gz LEWOJTNIKQJWCR-BBRMVZONSA-N 2 2 368.503 0.935 10 0 FCAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000245426283 488464462 /nfs/dbraw/zinc/46/44/62/488464462.db2.gz LEWOJTNIKQJWCR-BBRMVZONSA-N 2 2 368.503 0.935 10 0 FCAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000245426283 488464463 /nfs/dbraw/zinc/46/44/63/488464463.db2.gz LEWOJTNIKQJWCR-BBRMVZONSA-N 2 2 368.503 0.935 10 0 FCAELP C[C@@H]1CN(CC[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000246593304 488474624 /nfs/dbraw/zinc/47/46/24/488474624.db2.gz WXHSAKDKUAYZLH-YRPNKDGESA-N 2 2 366.550 0.291 10 0 FCAELP C[C@@H]1CN(CC[N@@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000246593304 488474628 /nfs/dbraw/zinc/47/46/28/488474628.db2.gz WXHSAKDKUAYZLH-YRPNKDGESA-N 2 2 366.550 0.291 10 0 FCAELP C[C@@H]1C[N@@H+](CCN2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)C[C@@H]1N1CCOCC1 ZINC000246593304 488474630 /nfs/dbraw/zinc/47/46/30/488474630.db2.gz WXHSAKDKUAYZLH-YRPNKDGESA-N 2 2 366.550 0.291 10 0 FCAELP C[C@@H]1C[N@H+](CCN2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)C[C@@H]1N1CCOCC1 ZINC000246593304 488474632 /nfs/dbraw/zinc/47/46/32/488474632.db2.gz WXHSAKDKUAYZLH-YRPNKDGESA-N 2 2 366.550 0.291 10 0 FCAELP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C[C@@H](C)O1 ZINC000246892913 488477666 /nfs/dbraw/zinc/47/76/66/488477666.db2.gz HFRFDKJGFZDYSH-BRWVUGGUSA-N 2 2 354.495 0.602 10 0 FCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000246972321 488479082 /nfs/dbraw/zinc/47/90/82/488479082.db2.gz JFLLDWAPMYOVBQ-YUELXQCFSA-N 2 2 354.476 0.348 10 0 FCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000246972321 488479085 /nfs/dbraw/zinc/47/90/85/488479085.db2.gz JFLLDWAPMYOVBQ-YUELXQCFSA-N 2 2 354.476 0.348 10 0 FCAELP O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000247012567 488480486 /nfs/dbraw/zinc/48/04/86/488480486.db2.gz OSJBAZSERQGSIB-RTBURBONSA-N 2 2 359.470 0.821 10 0 FCAELP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000247012567 488480488 /nfs/dbraw/zinc/48/04/88/488480488.db2.gz OSJBAZSERQGSIB-RTBURBONSA-N 2 2 359.470 0.821 10 0 FCAELP CCOCC[N@@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCOCC2)C[C@@H]1CC ZINC000247101659 488481742 /nfs/dbraw/zinc/48/17/42/488481742.db2.gz MQTHNCWGFVSEHC-IRXDYDNUSA-N 2 2 356.511 0.849 10 0 FCAELP CCOCC[N@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCOCC2)C[C@@H]1CC ZINC000247101659 488481744 /nfs/dbraw/zinc/48/17/44/488481744.db2.gz MQTHNCWGFVSEHC-IRXDYDNUSA-N 2 2 356.511 0.849 10 0 FCAELP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2C[NH+](C)CCO2)[C@@H](C)C1 ZINC000247284026 488483505 /nfs/dbraw/zinc/48/35/05/488483505.db2.gz SOBRMKWOQNRGAT-ULQDDVLXSA-N 2 2 356.511 0.753 10 0 FCAELP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2C[NH+](C)CCO2)[C@@H](C)C1 ZINC000247284026 488483508 /nfs/dbraw/zinc/48/35/08/488483508.db2.gz SOBRMKWOQNRGAT-ULQDDVLXSA-N 2 2 356.511 0.753 10 0 FCAELP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@H]2C[N@H+](C)CCO2)[C@@H](C)C1 ZINC000247284026 488483511 /nfs/dbraw/zinc/48/35/11/488483511.db2.gz SOBRMKWOQNRGAT-ULQDDVLXSA-N 2 2 356.511 0.753 10 0 FCAELP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@H]2C[N@@H+](C)CCO2)[C@@H](C)C1 ZINC000247284026 488483514 /nfs/dbraw/zinc/48/35/14/488483514.db2.gz SOBRMKWOQNRGAT-ULQDDVLXSA-N 2 2 356.511 0.753 10 0 FCAELP COCCCNC(=O)[C@@H](C)[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000247561840 488487753 /nfs/dbraw/zinc/48/77/53/488487753.db2.gz GDWWRBFJXKVXOD-MSOLQXFVSA-N 2 2 370.538 0.254 10 0 FCAELP COCCCNC(=O)[C@@H](C)[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000247561840 488487754 /nfs/dbraw/zinc/48/77/54/488487754.db2.gz GDWWRBFJXKVXOD-MSOLQXFVSA-N 2 2 370.538 0.254 10 0 FCAELP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248659168 488500540 /nfs/dbraw/zinc/50/05/40/488500540.db2.gz CGHJNACGBKZRSO-INIZCTEOSA-N 2 2 369.535 0.920 10 0 FCAELP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000248659168 488500541 /nfs/dbraw/zinc/50/05/41/488500541.db2.gz CGHJNACGBKZRSO-INIZCTEOSA-N 2 2 369.535 0.920 10 0 FCAELP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC2CCC([NH3+])CC2)CC1 ZINC000569923708 491203374 /nfs/dbraw/zinc/20/33/74/491203374.db2.gz PFRDASGPTIKSRX-UHFFFAOYSA-N 2 2 373.461 0.298 10 0 FCAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249037275 488505134 /nfs/dbraw/zinc/50/51/34/488505134.db2.gz UGZVFJVTOXTNKV-APWZRJJASA-N 2 2 360.458 0.610 10 0 FCAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249037275 488505136 /nfs/dbraw/zinc/50/51/36/488505136.db2.gz UGZVFJVTOXTNKV-APWZRJJASA-N 2 2 360.458 0.610 10 0 FCAELP CCOC(=O)C1CC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000105139214 488507799 /nfs/dbraw/zinc/50/77/99/488507799.db2.gz VDNLPIBLVGROLY-KRWDZBQOSA-N 2 2 369.506 0.735 10 0 FCAELP CCOC(=O)C1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000105139214 488507800 /nfs/dbraw/zinc/50/78/00/488507800.db2.gz VDNLPIBLVGROLY-KRWDZBQOSA-N 2 2 369.506 0.735 10 0 FCAELP C[NH+]1CCC(CNC(=O)[C@@H]([NH3+])C2CCOCC2)([NH+]2CCCCC2)CC1 ZINC000261716003 488532501 /nfs/dbraw/zinc/53/25/01/488532501.db2.gz IYTBLODDJMMJOR-KRWDZBQOSA-N 3 2 352.523 0.807 10 0 FCAELP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC1 ZINC000261757668 488534789 /nfs/dbraw/zinc/53/47/89/488534789.db2.gz FDDWRBGEJHMCEB-KRWDZBQOSA-N 2 2 354.495 0.143 10 0 FCAELP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC1 ZINC000261757668 488534790 /nfs/dbraw/zinc/53/47/90/488534790.db2.gz FDDWRBGEJHMCEB-KRWDZBQOSA-N 2 2 354.495 0.143 10 0 FCAELP [NH3+]C1(C(=O)Nc2ccc3[nH]c(CC[NH+]4CCOCC4)nc3c2)CCOCC1 ZINC000261894388 488540568 /nfs/dbraw/zinc/54/05/68/488540568.db2.gz QXLCSNONFUAGOS-UHFFFAOYSA-N 2 2 373.457 0.884 10 0 FCAELP [NH3+]C1(C(=O)Nc2ccc3nc(CC[NH+]4CCOCC4)[nH]c3c2)CCOCC1 ZINC000261894388 488540570 /nfs/dbraw/zinc/54/05/70/488540570.db2.gz QXLCSNONFUAGOS-UHFFFAOYSA-N 2 2 373.457 0.884 10 0 FCAELP CC[C@H]1CN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC000117494050 488551748 /nfs/dbraw/zinc/55/17/48/488551748.db2.gz VHHIVUIYMHLGKC-IRXDYDNUSA-N 2 2 355.527 0.375 10 0 FCAELP CC[C@H]1CN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC000117494050 488551750 /nfs/dbraw/zinc/55/17/50/488551750.db2.gz VHHIVUIYMHLGKC-IRXDYDNUSA-N 2 2 355.527 0.375 10 0 FCAELP CC[C@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC[N@@H+]1CCOC ZINC000117494050 488551752 /nfs/dbraw/zinc/55/17/52/488551752.db2.gz VHHIVUIYMHLGKC-IRXDYDNUSA-N 2 2 355.527 0.375 10 0 FCAELP CC[C@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC[N@H+]1CCOC ZINC000117494050 488551754 /nfs/dbraw/zinc/55/17/54/488551754.db2.gz VHHIVUIYMHLGKC-IRXDYDNUSA-N 2 2 355.527 0.375 10 0 FCAELP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263131085 488604951 /nfs/dbraw/zinc/60/49/51/488604951.db2.gz BSNRISVYWVORIR-KGLIPLIRSA-N 2 2 353.417 0.706 10 0 FCAELP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)CC2)CC1 ZINC000263271464 488608443 /nfs/dbraw/zinc/60/84/43/488608443.db2.gz SFTTWRGSDIDGSZ-CQSZACIVSA-N 2 2 358.433 0.386 10 0 FCAELP Cc1nc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(=O)[nH]c1C ZINC000126570654 488609829 /nfs/dbraw/zinc/60/98/29/488609829.db2.gz BTMKRRKTSNQFTC-XYPWUTKMSA-N 2 2 359.474 0.770 10 0 FCAELP Cc1nc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(=O)[nH]c1C ZINC000126570654 488609830 /nfs/dbraw/zinc/60/98/30/488609830.db2.gz BTMKRRKTSNQFTC-XYPWUTKMSA-N 2 2 359.474 0.770 10 0 FCAELP Cc1nc(N2CCN(C(=O)NCc3c[nH+]c(N(C)C)n3C)CC2)cc[nH+]1 ZINC000274118997 488684413 /nfs/dbraw/zinc/68/44/13/488684413.db2.gz AKZXCPYJUUARBZ-UHFFFAOYSA-N 2 2 358.450 0.616 10 0 FCAELP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000145813882 488693707 /nfs/dbraw/zinc/69/37/07/488693707.db2.gz QIRUXBBVAQJHPR-SFHVURJKSA-N 2 2 373.501 0.583 10 0 FCAELP CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H](C)N2CC[NH+](C)CC2)nc[nH+]1 ZINC000173442167 488842748 /nfs/dbraw/zinc/84/27/48/488842748.db2.gz BUBJJIABMQZHPW-HUUCEWRRSA-N 2 2 361.494 0.239 10 0 FCAELP O[C@@H](COc1ccccc1)C[NH+]1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000173697110 488844522 /nfs/dbraw/zinc/84/45/22/488844522.db2.gz AVTOTEIOXFNWHC-LJQANCHMSA-N 2 2 363.502 0.766 10 0 FCAELP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)cc2)CC1 ZINC000173978695 488846637 /nfs/dbraw/zinc/84/66/37/488846637.db2.gz YDFUODSUYWOLOE-HXUWFJFHSA-N 2 2 372.513 0.981 10 0 FCAELP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+](CC)C2)CC1 ZINC000174238489 488848053 /nfs/dbraw/zinc/84/80/53/488848053.db2.gz UZJQXAWBPNUNRC-INIZCTEOSA-N 2 2 353.511 0.666 10 0 FCAELP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000174238489 488848054 /nfs/dbraw/zinc/84/80/54/488848054.db2.gz UZJQXAWBPNUNRC-INIZCTEOSA-N 2 2 353.511 0.666 10 0 FCAELP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)C1 ZINC000174234246 488848115 /nfs/dbraw/zinc/84/81/15/488848115.db2.gz PMTKCPAZKVRXCW-HOCLYGCPSA-N 2 2 351.495 0.465 10 0 FCAELP CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)C1 ZINC000174234246 488848116 /nfs/dbraw/zinc/84/81/16/488848116.db2.gz PMTKCPAZKVRXCW-HOCLYGCPSA-N 2 2 351.495 0.465 10 0 FCAELP COCC[NH+]1CCC(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000174360877 488848902 /nfs/dbraw/zinc/84/89/02/488848902.db2.gz AETYGIZZFHBKHE-SFHVURJKSA-N 2 2 368.522 0.994 10 0 FCAELP CC(C)N(C)C(=O)[C@H](C)[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000175191079 488853429 /nfs/dbraw/zinc/85/34/29/488853429.db2.gz KUPQNXMHNQMJQY-ZWKOTPCHSA-N 2 2 354.539 0.969 10 0 FCAELP CC(C)N(C)C(=O)[C@H](C)[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000175191079 488853430 /nfs/dbraw/zinc/85/34/30/488853430.db2.gz KUPQNXMHNQMJQY-ZWKOTPCHSA-N 2 2 354.539 0.969 10 0 FCAELP C[C@H](CNC(=O)N1CCC(OCCC[NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000175603585 488854672 /nfs/dbraw/zinc/85/46/72/488854672.db2.gz WKENTZDPWJXCNZ-MRXNPFEDSA-N 2 2 356.511 0.849 10 0 FCAELP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[N@H+](CCOC)[C@H](C)C2)CC1 ZINC000175813736 488855867 /nfs/dbraw/zinc/85/58/67/488855867.db2.gz YGSHIGSFZHJUBU-QZTJIDSGSA-N 2 2 369.554 0.622 10 0 FCAELP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[N@@H+](CCOC)[C@H](C)C2)CC1 ZINC000175813736 488855868 /nfs/dbraw/zinc/85/58/68/488855868.db2.gz YGSHIGSFZHJUBU-QZTJIDSGSA-N 2 2 369.554 0.622 10 0 FCAELP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[N@H+](CCOC)[C@H](C)C2)CC1 ZINC000175813736 488855869 /nfs/dbraw/zinc/85/58/69/488855869.db2.gz YGSHIGSFZHJUBU-QZTJIDSGSA-N 2 2 369.554 0.622 10 0 FCAELP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[N@@H+](CCOC)[C@H](C)C2)CC1 ZINC000175813736 488855870 /nfs/dbraw/zinc/85/58/70/488855870.db2.gz YGSHIGSFZHJUBU-QZTJIDSGSA-N 2 2 369.554 0.622 10 0 FCAELP CC[C@H](CO)[NH+]1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000179420463 488861256 /nfs/dbraw/zinc/86/12/56/488861256.db2.gz IPNBOKGIQAYVKL-QGZVFWFLSA-N 2 2 361.490 0.362 10 0 FCAELP CCN1CC[NH+](CCCCNC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)CC1 ZINC000180755369 488862448 /nfs/dbraw/zinc/86/24/48/488862448.db2.gz LLKGEKUCSIIPBK-QZTJIDSGSA-N 2 2 369.554 0.501 10 0 FCAELP CCN1CC[NH+](CCCCNC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)CC1 ZINC000180755369 488862449 /nfs/dbraw/zinc/86/24/49/488862449.db2.gz LLKGEKUCSIIPBK-QZTJIDSGSA-N 2 2 369.554 0.501 10 0 FCAELP CC[NH+]1CCN(CCCCNC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)CC1 ZINC000180755369 488862450 /nfs/dbraw/zinc/86/24/50/488862450.db2.gz LLKGEKUCSIIPBK-QZTJIDSGSA-N 2 2 369.554 0.501 10 0 FCAELP CC[NH+]1CCN(CCCCNC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)CC1 ZINC000180755369 488862451 /nfs/dbraw/zinc/86/24/51/488862451.db2.gz LLKGEKUCSIIPBK-QZTJIDSGSA-N 2 2 369.554 0.501 10 0 FCAELP Cn1nccc1[C@H]1[C@H](C[N@H+](C)CCC(=O)N2CCOCC2)CCC[NH+]1C ZINC000329147717 488974503 /nfs/dbraw/zinc/97/45/03/488974503.db2.gz XYORGYGAEACGDR-QFBILLFUSA-N 2 2 363.506 0.984 10 0 FCAELP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)CCC(=O)N2CCOCC2)CCC[NH+]1C ZINC000329147717 488974505 /nfs/dbraw/zinc/97/45/05/488974505.db2.gz XYORGYGAEACGDR-QFBILLFUSA-N 2 2 363.506 0.984 10 0 FCAELP Cn1nccc1[C@H]1[C@H](C[NH+](C)CCC(=O)N2CCOCC2)CCC[N@@H+]1C ZINC000329147717 488974507 /nfs/dbraw/zinc/97/45/07/488974507.db2.gz XYORGYGAEACGDR-QFBILLFUSA-N 2 2 363.506 0.984 10 0 FCAELP Cn1nccc1[C@H]1[C@H](C[NH+](C)CCC(=O)N2CCOCC2)CCC[N@H+]1C ZINC000329147717 488974509 /nfs/dbraw/zinc/97/45/09/488974509.db2.gz XYORGYGAEACGDR-QFBILLFUSA-N 2 2 363.506 0.984 10 0 FCAELP Cn1ccnc1C[NH+]1CCC(C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000330669500 489131093 /nfs/dbraw/zinc/13/10/93/489131093.db2.gz ZXEYKCSUBPFBHS-UHFFFAOYSA-N 2 2 363.506 0.547 10 0 FCAELP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000366085461 489143203 /nfs/dbraw/zinc/14/32/03/489143203.db2.gz IHGRKNSDSCEDAD-CQSZACIVSA-N 2 2 362.478 0.463 10 0 FCAELP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000366085461 489143207 /nfs/dbraw/zinc/14/32/07/489143207.db2.gz IHGRKNSDSCEDAD-CQSZACIVSA-N 2 2 362.478 0.463 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N(C)CC3CC[NH+](C)CC3)CC2)cc[nH+]1 ZINC000297660360 489220245 /nfs/dbraw/zinc/22/02/45/489220245.db2.gz KOANONCCTNCUGF-UHFFFAOYSA-N 2 2 374.489 0.234 10 0 FCAELP C[NH+]1CCN(CCNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)CC1(C)C ZINC000332754788 489225138 /nfs/dbraw/zinc/22/51/38/489225138.db2.gz KAEKWCGPFIBTDC-CVEARBPZSA-N 2 2 353.511 0.127 10 0 FCAELP C[NH+]1CCN(CCNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)CC1(C)C ZINC000332754788 489225142 /nfs/dbraw/zinc/22/51/42/489225142.db2.gz KAEKWCGPFIBTDC-CVEARBPZSA-N 2 2 353.511 0.127 10 0 FCAELP C[NH+]1CCO[C@H]2CCN(C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C[C@H]21 ZINC000332754788 489225145 /nfs/dbraw/zinc/22/51/45/489225145.db2.gz KAEKWCGPFIBTDC-CVEARBPZSA-N 2 2 353.511 0.127 10 0 FCAELP C[NH+]1CCO[C@H]2CCN(C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)C[C@H]21 ZINC000332754788 489225147 /nfs/dbraw/zinc/22/51/47/489225147.db2.gz KAEKWCGPFIBTDC-CVEARBPZSA-N 2 2 353.511 0.127 10 0 FCAELP C[NH+]1CCC(CNC(=O)CCCCNC(N)=O)([NH+]2CCCCC2)CC1 ZINC000369688636 489264457 /nfs/dbraw/zinc/26/44/57/489264457.db2.gz REWRCEKYGMYEPU-UHFFFAOYSA-N 2 2 353.511 0.892 10 0 FCAELP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000284249929 489305517 /nfs/dbraw/zinc/30/55/17/489305517.db2.gz GLQYDELRMIMYNX-UHFFFAOYSA-N 2 2 374.485 0.550 10 0 FCAELP CC(=O)N1CSC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370821664 489408017 /nfs/dbraw/zinc/40/80/17/489408017.db2.gz VPANTAWHTVIRKM-HZPDHXFCSA-N 2 2 354.520 0.535 10 0 FCAELP CC(=O)N1CSC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370821664 489408018 /nfs/dbraw/zinc/40/80/18/489408018.db2.gz VPANTAWHTVIRKM-HZPDHXFCSA-N 2 2 354.520 0.535 10 0 FCAELP Cc1[nH+]c2n(c1CN1CC[NH+](C[C@H](O)Cn3cccn3)CC1)CCCC2 ZINC000371777759 489508135 /nfs/dbraw/zinc/50/81/35/489508135.db2.gz LFHCUSWZWODXPV-KRWDZBQOSA-N 2 2 358.490 0.903 10 0 FCAELP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000371837988 489516353 /nfs/dbraw/zinc/51/63/53/489516353.db2.gz BKYMZRTZVVHIGB-IAGOWNOFSA-N 2 2 354.495 0.603 10 0 FCAELP COCC[N@H+]1CC[C@@H](NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000371837988 489516357 /nfs/dbraw/zinc/51/63/57/489516357.db2.gz BKYMZRTZVVHIGB-IAGOWNOFSA-N 2 2 354.495 0.603 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CNC(C)(C)C[NH+]2CCCC2)C1 ZINC000452086636 489544118 /nfs/dbraw/zinc/54/41/18/489544118.db2.gz LNXCLBDIKKCRJY-QGZVFWFLSA-N 2 2 354.539 0.923 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CNC(C)(C)C[NH+]2CCCC2)C1 ZINC000452086636 489544120 /nfs/dbraw/zinc/54/41/20/489544120.db2.gz LNXCLBDIKKCRJY-QGZVFWFLSA-N 2 2 354.539 0.923 10 0 FCAELP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000415721851 489545725 /nfs/dbraw/zinc/54/57/25/489545725.db2.gz BRBJSGDPBZZRKT-YOEHRIQHSA-N 2 2 359.474 0.321 10 0 FCAELP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@@H]3CCCC[NH2+]C3)c2)CC1 ZINC000415859517 489559765 /nfs/dbraw/zinc/55/97/65/489559765.db2.gz BBAYEWHUFBAMTE-GOSISDBHSA-N 2 2 373.501 0.631 10 0 FCAELP CCC[NH+]1CCC(CNC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CC1 ZINC000426313541 489562270 /nfs/dbraw/zinc/56/22/70/489562270.db2.gz WPDXARICNRXALX-UHFFFAOYSA-N 2 2 353.511 0.700 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)C1 ZINC000372751244 489633186 /nfs/dbraw/zinc/63/31/86/489633186.db2.gz PDVAHLVIPCNTFY-LHHMISFZSA-N 2 2 366.506 0.045 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)C1 ZINC000372751244 489633188 /nfs/dbraw/zinc/63/31/88/489633188.db2.gz PDVAHLVIPCNTFY-LHHMISFZSA-N 2 2 366.506 0.045 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)C1 ZINC000372751244 489633189 /nfs/dbraw/zinc/63/31/89/489633189.db2.gz PDVAHLVIPCNTFY-LHHMISFZSA-N 2 2 366.506 0.045 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)C1 ZINC000372751244 489633191 /nfs/dbraw/zinc/63/31/91/489633191.db2.gz PDVAHLVIPCNTFY-LHHMISFZSA-N 2 2 366.506 0.045 10 0 FCAELP C[C@H]1C[N@H+](CCO)CCN1C(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000457111859 489636543 /nfs/dbraw/zinc/63/65/43/489636543.db2.gz FOCQOFFJNXEWLJ-PKOBYXMFSA-N 2 2 361.486 0.803 10 0 FCAELP C[C@H]1C[N@@H+](CCO)CCN1C(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000457111859 489636545 /nfs/dbraw/zinc/63/65/45/489636545.db2.gz FOCQOFFJNXEWLJ-PKOBYXMFSA-N 2 2 361.486 0.803 10 0 FCAELP C[C@H]1C[NH+](CCO)CCN1C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000457111859 489636548 /nfs/dbraw/zinc/63/65/48/489636548.db2.gz FOCQOFFJNXEWLJ-PKOBYXMFSA-N 2 2 361.486 0.803 10 0 FCAELP C[C@H]1C[NH+](CCO)CCN1C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000457111859 489636551 /nfs/dbraw/zinc/63/65/51/489636551.db2.gz FOCQOFFJNXEWLJ-PKOBYXMFSA-N 2 2 361.486 0.803 10 0 FCAELP COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000418131164 489679931 /nfs/dbraw/zinc/67/99/31/489679931.db2.gz XJOQDUSQDKNBLT-INIZCTEOSA-N 2 2 357.414 0.829 10 0 FCAELP COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000418131164 489679933 /nfs/dbraw/zinc/67/99/33/489679933.db2.gz XJOQDUSQDKNBLT-INIZCTEOSA-N 2 2 357.414 0.829 10 0 FCAELP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCc1cn(C)c[nH+]1 ZINC000458397472 489681091 /nfs/dbraw/zinc/68/10/91/489681091.db2.gz MTNOGIKDDRBYCY-INIZCTEOSA-N 2 2 371.489 0.868 10 0 FCAELP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418822638 489738948 /nfs/dbraw/zinc/73/89/48/489738948.db2.gz AXMIWJQOFFQAGU-ZWKOTPCHSA-N 2 2 374.485 0.262 10 0 FCAELP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418822638 489738952 /nfs/dbraw/zinc/73/89/52/489738952.db2.gz AXMIWJQOFFQAGU-ZWKOTPCHSA-N 2 2 374.485 0.262 10 0 FCAELP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@](O)(CO)C2)CC1 ZINC000459645706 489744894 /nfs/dbraw/zinc/74/48/94/489744894.db2.gz LYLPNJMOJUEYKM-HXUWFJFHSA-N 2 2 361.486 0.458 10 0 FCAELP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@](O)(CO)C2)CC1 ZINC000459645706 489744898 /nfs/dbraw/zinc/74/48/98/489744898.db2.gz LYLPNJMOJUEYKM-HXUWFJFHSA-N 2 2 361.486 0.458 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418905831 489784473 /nfs/dbraw/zinc/78/44/73/489784473.db2.gz KFGGCZSFCHMMPS-PMPSAXMXSA-N 2 2 366.412 0.680 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418905831 489784478 /nfs/dbraw/zinc/78/44/78/489784478.db2.gz KFGGCZSFCHMMPS-PMPSAXMXSA-N 2 2 366.412 0.680 10 0 FCAELP C[NH2+]CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000418908164 489785037 /nfs/dbraw/zinc/78/50/37/489785037.db2.gz MJVGLUBWLFEFCH-CABCVRRESA-N 2 2 352.866 0.927 10 0 FCAELP C[NH2+]CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000418908164 489785041 /nfs/dbraw/zinc/78/50/41/489785041.db2.gz MJVGLUBWLFEFCH-CABCVRRESA-N 2 2 352.866 0.927 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418910103 489786696 /nfs/dbraw/zinc/78/66/96/489786696.db2.gz OPYQLZGKGBJAAT-RLCCDNCMSA-N 2 2 366.412 0.633 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418910103 489786703 /nfs/dbraw/zinc/78/67/03/489786703.db2.gz OPYQLZGKGBJAAT-RLCCDNCMSA-N 2 2 366.412 0.633 10 0 FCAELP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418937766 489797277 /nfs/dbraw/zinc/79/72/77/489797277.db2.gz GDBHDFSZOPFAAY-GXTWGEPZSA-N 2 2 350.488 0.337 10 0 FCAELP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418937766 489797280 /nfs/dbraw/zinc/79/72/80/489797280.db2.gz GDBHDFSZOPFAAY-GXTWGEPZSA-N 2 2 350.488 0.337 10 0 FCAELP O=C(C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CC[NH+](C2CC2)CC1 ZINC000459929346 489797529 /nfs/dbraw/zinc/79/75/29/489797529.db2.gz FIIDFDPGOBUEFE-MAUKXSAKSA-N 2 2 360.502 0.768 10 0 FCAELP O=C(C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CC[NH+](C2CC2)CC1 ZINC000459929346 489797533 /nfs/dbraw/zinc/79/75/33/489797533.db2.gz FIIDFDPGOBUEFE-MAUKXSAKSA-N 2 2 360.502 0.768 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000555894410 491279921 /nfs/dbraw/zinc/27/99/21/491279921.db2.gz OKHSDWIQBHWOOR-UHFFFAOYSA-N 2 2 371.485 0.782 10 0 FCAELP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H]1CS(N)(=O)=O)c1ccccc1 ZINC000475138238 489807023 /nfs/dbraw/zinc/80/70/23/489807023.db2.gz UTQLYZIMQLNESX-JKSUJKDBSA-N 2 2 368.503 0.158 10 0 FCAELP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H]1CS(N)(=O)=O)c1ccccc1 ZINC000475138238 489807028 /nfs/dbraw/zinc/80/70/28/489807028.db2.gz UTQLYZIMQLNESX-JKSUJKDBSA-N 2 2 368.503 0.158 10 0 FCAELP CO[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC[C@H]1C ZINC000459993889 489811453 /nfs/dbraw/zinc/81/14/53/489811453.db2.gz UDQHDSQSDDZUIK-NVXWUHKLSA-N 2 2 368.522 0.354 10 0 FCAELP CO[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC[C@H]1C ZINC000459993889 489811457 /nfs/dbraw/zinc/81/14/57/489811457.db2.gz UDQHDSQSDDZUIK-NVXWUHKLSA-N 2 2 368.522 0.354 10 0 FCAELP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000419069113 489843658 /nfs/dbraw/zinc/84/36/58/489843658.db2.gz FVPSJKQCHWKQAB-DAXOMENPSA-N 2 2 373.432 0.879 10 0 FCAELP COc1ccc([C@H](NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)c2[nH+]ccn2C)cc1 ZINC000419081044 489849398 /nfs/dbraw/zinc/84/93/98/489849398.db2.gz ZDXHLLZIXMFYDP-CJNGLKHVSA-N 2 2 371.441 0.455 10 0 FCAELP COC(=O)C(C)(C)N1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000494384229 489887867 /nfs/dbraw/zinc/88/78/67/489887867.db2.gz HKBOVWQYLCWPAF-UHFFFAOYSA-N 2 2 366.506 0.299 10 0 FCAELP COc1cc(N2CC[NH+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)ncn1 ZINC000461350145 489904156 /nfs/dbraw/zinc/90/41/56/489904156.db2.gz FEYXXZJQQDFIFL-UHFFFAOYSA-N 2 2 374.489 0.350 10 0 FCAELP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000420128517 489922518 /nfs/dbraw/zinc/92/25/18/489922518.db2.gz PIOFDHLMPTVUMF-HUUCEWRRSA-N 2 2 362.474 0.502 10 0 FCAELP COC(=O)C[NH+]1CCC(Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)CC1 ZINC000435045247 489977886 /nfs/dbraw/zinc/97/78/86/489977886.db2.gz JGAGSBMNOWJXPP-UHFFFAOYSA-N 2 2 360.458 0.579 10 0 FCAELP COC(=O)C[NH+]1CCC(Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)CC1 ZINC000435045247 489977888 /nfs/dbraw/zinc/97/78/88/489977888.db2.gz JGAGSBMNOWJXPP-UHFFFAOYSA-N 2 2 360.458 0.579 10 0 FCAELP Cc1ccc(CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)c(C)[nH+]1 ZINC000479131031 490068031 /nfs/dbraw/zinc/06/80/31/490068031.db2.gz SCLOTNIOJOVQNR-UHFFFAOYSA-N 2 2 360.414 0.712 10 0 FCAELP CC1(C(N)=O)C[NH+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000564326146 491300838 /nfs/dbraw/zinc/30/08/38/491300838.db2.gz FUCHGLVAEBZQOU-UHFFFAOYSA-N 2 2 362.499 0.981 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000422084197 490138976 /nfs/dbraw/zinc/13/89/76/490138976.db2.gz AXWUZNYYCYVPNP-SFHVURJKSA-N 2 2 369.469 0.860 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000422084197 490138987 /nfs/dbraw/zinc/13/89/87/490138987.db2.gz AXWUZNYYCYVPNP-SFHVURJKSA-N 2 2 369.469 0.860 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000564346651 491302451 /nfs/dbraw/zinc/30/24/51/491302451.db2.gz FEIHHKKTWTVXJK-QUCCMNQESA-N 3 2 366.550 0.877 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000564346651 491302454 /nfs/dbraw/zinc/30/24/54/491302454.db2.gz FEIHHKKTWTVXJK-QUCCMNQESA-N 3 2 366.550 0.877 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000564346651 491302456 /nfs/dbraw/zinc/30/24/56/491302456.db2.gz FEIHHKKTWTVXJK-QUCCMNQESA-N 3 2 366.550 0.877 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000564346651 491302458 /nfs/dbraw/zinc/30/24/58/491302458.db2.gz FEIHHKKTWTVXJK-QUCCMNQESA-N 3 2 366.550 0.877 10 0 FCAELP O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000520583377 490166622 /nfs/dbraw/zinc/16/66/22/490166622.db2.gz NXWBQJRJRXKDKJ-LSDHHAIUSA-N 2 2 361.442 0.080 10 0 FCAELP O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000520583377 490166628 /nfs/dbraw/zinc/16/66/28/490166628.db2.gz NXWBQJRJRXKDKJ-LSDHHAIUSA-N 2 2 361.442 0.080 10 0 FCAELP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000533530631 490249395 /nfs/dbraw/zinc/24/93/95/490249395.db2.gz SIUCWTXQIXYICV-GFCCVEGCSA-N 2 2 361.450 0.041 10 0 FCAELP C[NH+]1CCC(CNC(=O)C(=O)NCc2cccnn2)([NH+]2CCCCC2)CC1 ZINC000482788406 490249965 /nfs/dbraw/zinc/24/99/65/490249965.db2.gz BTSVCVIEISAHLH-UHFFFAOYSA-N 2 2 374.489 0.159 10 0 FCAELP CC[NH+]1CCN(CCC(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)CC1 ZINC000447685950 490258591 /nfs/dbraw/zinc/25/85/91/490258591.db2.gz OCVMNMPQJYAVNX-UHFFFAOYSA-N 2 2 373.501 0.496 10 0 FCAELP CC[NH+]1CCN(CCC(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)CC1 ZINC000447685950 490258603 /nfs/dbraw/zinc/25/86/03/490258603.db2.gz OCVMNMPQJYAVNX-UHFFFAOYSA-N 2 2 373.501 0.496 10 0 FCAELP CC[NH+]1CCN(CC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC1 ZINC000507827687 490267596 /nfs/dbraw/zinc/26/75/96/490267596.db2.gz SNDGSAMYJPZITI-UHFFFAOYSA-N 2 2 366.550 0.975 10 0 FCAELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000422347249 490271885 /nfs/dbraw/zinc/27/18/85/490271885.db2.gz DCAHEGNSYZTIDY-YJBOKZPZSA-N 2 2 369.469 0.716 10 0 FCAELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000422347249 490271888 /nfs/dbraw/zinc/27/18/88/490271888.db2.gz DCAHEGNSYZTIDY-YJBOKZPZSA-N 2 2 369.469 0.716 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)c1 ZINC000422375632 490286329 /nfs/dbraw/zinc/28/63/29/490286329.db2.gz JVQJEQBFUMWRQI-UHFFFAOYSA-N 2 2 361.421 0.466 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)c1 ZINC000422375632 490286336 /nfs/dbraw/zinc/28/63/36/490286336.db2.gz JVQJEQBFUMWRQI-UHFFFAOYSA-N 2 2 361.421 0.466 10 0 FCAELP C[C@H]1OCC[C@@]1(O)C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000447925945 490298915 /nfs/dbraw/zinc/29/89/15/490298915.db2.gz KQEGYIZGCLBTMD-YLJYHZDGSA-N 2 2 361.486 0.803 10 0 FCAELP C[C@H]1OCC[C@@]1(O)C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000447925945 490298920 /nfs/dbraw/zinc/29/89/20/490298920.db2.gz KQEGYIZGCLBTMD-YLJYHZDGSA-N 2 2 361.486 0.803 10 0 FCAELP C[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCN1C(=O)c1cscn1 ZINC000521979590 490320343 /nfs/dbraw/zinc/32/03/43/490320343.db2.gz QVOXVKVYUAVYRY-AWEZNQCLSA-N 2 2 365.503 0.454 10 0 FCAELP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCN1C(=O)c1cscn1 ZINC000521979590 490320347 /nfs/dbraw/zinc/32/03/47/490320347.db2.gz QVOXVKVYUAVYRY-AWEZNQCLSA-N 2 2 365.503 0.454 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N(C)[C@H]3CC[N@@H+](C(C)C)C3)CC2)cc[nH+]1 ZINC000411033780 490380160 /nfs/dbraw/zinc/38/01/60/490380160.db2.gz WNCSMKZVFQVZLZ-INIZCTEOSA-N 2 2 374.489 0.375 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N(C)[C@H]3CC[N@H+](C(C)C)C3)CC2)cc[nH+]1 ZINC000411033780 490380167 /nfs/dbraw/zinc/38/01/67/490380167.db2.gz WNCSMKZVFQVZLZ-INIZCTEOSA-N 2 2 374.489 0.375 10 0 FCAELP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](NC(N)=O)C2)CC1 ZINC000556619825 491323369 /nfs/dbraw/zinc/32/33/69/491323369.db2.gz PVAWUAKXZHJZPJ-GOSISDBHSA-N 2 2 373.501 0.818 10 0 FCAELP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](NC(N)=O)C2)CC1 ZINC000556619825 491323371 /nfs/dbraw/zinc/32/33/71/491323371.db2.gz PVAWUAKXZHJZPJ-GOSISDBHSA-N 2 2 373.501 0.818 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000468758213 490444243 /nfs/dbraw/zinc/44/42/43/490444243.db2.gz ALXJIZKERGCQKY-MRXNPFEDSA-N 2 2 361.490 0.626 10 0 FCAELP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000548420434 490482954 /nfs/dbraw/zinc/48/29/54/490482954.db2.gz JRFWMYIEXCFKEX-ULQDDVLXSA-N 2 2 350.507 0.872 10 0 FCAELP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000548420434 490482961 /nfs/dbraw/zinc/48/29/61/490482961.db2.gz JRFWMYIEXCFKEX-ULQDDVLXSA-N 2 2 350.507 0.872 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCO[C@H](C3CCC3)C2)C1 ZINC000411863014 490487506 /nfs/dbraw/zinc/48/75/06/490487506.db2.gz PZIXJBDQPCRUQW-ROUUACIJSA-N 2 2 353.507 0.960 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCO[C@H](C3CCC3)C2)C1 ZINC000411863014 490487512 /nfs/dbraw/zinc/48/75/12/490487512.db2.gz PZIXJBDQPCRUQW-ROUUACIJSA-N 2 2 353.507 0.960 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCO[C@H](C3CCC3)C2)C1 ZINC000411863014 490487518 /nfs/dbraw/zinc/48/75/18/490487518.db2.gz PZIXJBDQPCRUQW-ROUUACIJSA-N 2 2 353.507 0.960 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCO[C@H](C3CCC3)C2)C1 ZINC000411863014 490487522 /nfs/dbraw/zinc/48/75/22/490487522.db2.gz PZIXJBDQPCRUQW-ROUUACIJSA-N 2 2 353.507 0.960 10 0 FCAELP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422911922 490495895 /nfs/dbraw/zinc/49/58/95/490495895.db2.gz UWDRHHQTENLQBT-OALUTQOASA-N 3 2 360.502 0.835 10 0 FCAELP O=S(=O)(CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)NCc1ccccc1 ZINC000422933552 490502124 /nfs/dbraw/zinc/50/21/24/490502124.db2.gz IAYAQQOUKAEXFA-DLBZAZTESA-N 2 2 353.488 0.463 10 0 FCAELP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422944533 490502855 /nfs/dbraw/zinc/50/28/55/490502855.db2.gz ZWJRCLXKVXZOJK-SJORKVTESA-N 2 2 353.488 0.630 10 0 FCAELP CN(CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)S(=O)(=O)c1cccs1 ZINC000422993511 490513110 /nfs/dbraw/zinc/51/31/10/490513110.db2.gz FUHRGNNTTSNRKD-UKRRQHHQSA-N 2 2 359.517 0.725 10 0 FCAELP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)s1 ZINC000422999294 490514384 /nfs/dbraw/zinc/51/43/84/490514384.db2.gz SHWADFSXMJOUAS-UKRRQHHQSA-N 2 2 359.517 0.691 10 0 FCAELP O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CC[NH+](Cc2cccs2)CC1 ZINC000423018707 490520398 /nfs/dbraw/zinc/52/03/98/490520398.db2.gz RVOFZOBIDQWFJZ-GASCZTMLSA-N 2 2 362.499 0.745 10 0 FCAELP CCOC(=O)c1ccc(N2CC([NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)nc1 ZINC000423030409 490525091 /nfs/dbraw/zinc/52/50/91/490525091.db2.gz JOSLFCJWGHILGD-WMZOPIPTSA-N 2 2 360.458 0.804 10 0 FCAELP CNC(=O)CCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000535976064 490543452 /nfs/dbraw/zinc/54/34/52/490543452.db2.gz RDHKVJJYXWZWPB-XYPWUTKMSA-N 2 2 351.495 0.465 10 0 FCAELP CNC(=O)CCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000535976064 490543454 /nfs/dbraw/zinc/54/34/54/490543454.db2.gz RDHKVJJYXWZWPB-XYPWUTKMSA-N 2 2 351.495 0.465 10 0 FCAELP COC1CC([NH2+]C[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)C1 ZINC000549549658 490588403 /nfs/dbraw/zinc/58/84/03/490588403.db2.gz BNYZWTNIDFISMA-QQFBHYJXSA-N 2 2 361.490 0.600 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)NCC3([NH+](C)C)CCCC3)CC2)cc[nH+]1 ZINC000550003491 490619625 /nfs/dbraw/zinc/61/96/25/490619625.db2.gz ZEVCPVBNCIOZRU-UHFFFAOYSA-N 2 2 374.489 0.424 10 0 FCAELP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000525810058 490636628 /nfs/dbraw/zinc/63/66/28/490636628.db2.gz WXGNICURZRUSPD-IRXDYDNUSA-N 2 2 353.511 0.129 10 0 FCAELP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000525810058 490636633 /nfs/dbraw/zinc/63/66/33/490636633.db2.gz WXGNICURZRUSPD-IRXDYDNUSA-N 2 2 353.511 0.129 10 0 FCAELP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000525810059 490636841 /nfs/dbraw/zinc/63/68/41/490636841.db2.gz WXGNICURZRUSPD-SJORKVTESA-N 2 2 353.511 0.129 10 0 FCAELP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000525810059 490636844 /nfs/dbraw/zinc/63/68/44/490636844.db2.gz WXGNICURZRUSPD-SJORKVTESA-N 2 2 353.511 0.129 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)NCC2([NH+](C)C)CCC2)C1=O ZINC000526084525 490673232 /nfs/dbraw/zinc/67/32/32/490673232.db2.gz VUZUWYCJKMFILN-CQSZACIVSA-N 2 2 362.478 0.695 10 0 FCAELP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000502061207 490673363 /nfs/dbraw/zinc/67/33/63/490673363.db2.gz MMRGIQKSNBJTCQ-OAHLLOKOSA-N 2 2 354.495 0.062 10 0 FCAELP O=C(c1ccc(C[NH+]2CCOCC2)cn1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000538333401 490726912 /nfs/dbraw/zinc/72/69/12/490726912.db2.gz YDEFVJVZDWYHHV-SFHVURJKSA-N 2 2 374.485 0.708 10 0 FCAELP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000539180196 490766991 /nfs/dbraw/zinc/76/69/91/490766991.db2.gz XFCMRXPYDUPTHT-OAHLLOKOSA-N 2 2 359.430 0.808 10 0 FCAELP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000539180196 490766992 /nfs/dbraw/zinc/76/69/92/490766992.db2.gz XFCMRXPYDUPTHT-OAHLLOKOSA-N 2 2 359.430 0.808 10 0 FCAELP C[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000488785566 490775808 /nfs/dbraw/zinc/77/58/08/490775808.db2.gz RRMBPLXAWCNLDU-LPHOPBHVSA-N 2 2 361.486 0.838 10 0 FCAELP C[C@H]1[C@H](CO)CC[N@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000488785566 490775811 /nfs/dbraw/zinc/77/58/11/490775811.db2.gz RRMBPLXAWCNLDU-LPHOPBHVSA-N 2 2 361.486 0.838 10 0 FCAELP C[NH+](C)C1(CNC(=O)c2ccc(C[NH+]3CCOCC3)cn2)CCOCC1 ZINC000539423814 490782934 /nfs/dbraw/zinc/78/29/34/490782934.db2.gz KIXFCBYRYJEYIP-UHFFFAOYSA-N 2 2 362.474 0.754 10 0 FCAELP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000514816336 490790485 /nfs/dbraw/zinc/79/04/85/490790485.db2.gz ZGGVXFWWNHORSU-UHFFFAOYSA-N 2 2 368.485 0.876 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+]2C[C@@H](CO)[C@H](CO)C2)CC1 ZINC000528607407 490812279 /nfs/dbraw/zinc/81/22/79/490812279.db2.gz OZVIHURURDALDX-WDSOQIARSA-N 2 2 361.486 0.424 10 0 FCAELP CSC[C@@H](C)NC(=O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000505503849 490831879 /nfs/dbraw/zinc/83/18/79/490831879.db2.gz WKANUGQDPLFIGQ-OAHLLOKOSA-N 2 2 370.563 0.921 10 0 FCAELP C[N@@H+]1CCN(C(=O)NCCc2cccc3c2OC(F)(F)O3)[C@@H](C[NH3+])C1 ZINC000529350057 490855830 /nfs/dbraw/zinc/85/58/30/490855830.db2.gz MZMDCZWTLGMHRH-LBPRGKRZSA-N 2 2 356.373 0.835 10 0 FCAELP C[N@H+]1CCN(C(=O)NCCc2cccc3c2OC(F)(F)O3)[C@@H](C[NH3+])C1 ZINC000529350057 490855833 /nfs/dbraw/zinc/85/58/33/490855833.db2.gz MZMDCZWTLGMHRH-LBPRGKRZSA-N 2 2 356.373 0.835 10 0 FCAELP Cc1c[nH+]cn1CC(=O)N1CCN(C(=O)Cn2c[nH+]cc2C)CC(C)C1 ZINC000529466612 490860606 /nfs/dbraw/zinc/86/06/06/490860606.db2.gz IZJDKGIBHCZYJZ-UHFFFAOYSA-N 2 2 358.446 0.704 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1=O ZINC000542114956 490885407 /nfs/dbraw/zinc/88/54/07/490885407.db2.gz CUVGQWQJBCXVAQ-OWCLPIDISA-N 2 2 374.489 0.837 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1=O ZINC000542114956 490885410 /nfs/dbraw/zinc/88/54/10/490885410.db2.gz CUVGQWQJBCXVAQ-OWCLPIDISA-N 2 2 374.489 0.837 10 0 FCAELP CN(CCC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1cc[nH+]cc1 ZINC000542180144 490888211 /nfs/dbraw/zinc/88/82/11/490888211.db2.gz VBBUWGIMPFEAQU-MRXNPFEDSA-N 2 2 370.457 0.949 10 0 FCAELP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C[N@@H+]1C1CC1 ZINC000543042341 490919646 /nfs/dbraw/zinc/91/96/46/490919646.db2.gz VETNAMLTGXHEPO-IIAWOOMASA-N 2 2 374.489 0.836 10 0 FCAELP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C[N@H+]1C1CC1 ZINC000543042341 490919647 /nfs/dbraw/zinc/91/96/47/490919647.db2.gz VETNAMLTGXHEPO-IIAWOOMASA-N 2 2 374.489 0.836 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](Nc2cc(-n3cccn3)nc(N)[nH+]2)C1=O ZINC000543050916 490920417 /nfs/dbraw/zinc/92/04/17/490920417.db2.gz WEBYVZXQYKDQHH-GFCCVEGCSA-N 2 2 367.417 0.581 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)N2CC[NH+](CC3CC3)CC2)C1=O ZINC000543056456 490920670 /nfs/dbraw/zinc/92/06/70/490920670.db2.gz JBNJRVKKTGRWIY-MRXNPFEDSA-N 2 2 374.489 0.648 10 0 FCAELP Cc1nnc([C@H](C)[NH2+]CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)s1 ZINC000544759691 490979564 /nfs/dbraw/zinc/97/95/64/490979564.db2.gz PFMZDGXVCXXJOI-GXTWGEPZSA-N 2 2 355.508 0.970 10 0 FCAELP Cc1nnc([C@H](C)[NH2+]CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)s1 ZINC000544759691 490979566 /nfs/dbraw/zinc/97/95/66/490979566.db2.gz PFMZDGXVCXXJOI-GXTWGEPZSA-N 2 2 355.508 0.970 10 0 FCAELP O=C(NCc1ccc(N2CCCC2)[nH+]c1)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569579123 491170318 /nfs/dbraw/zinc/17/03/18/491170318.db2.gz MXNNNXXARRIHKK-HXUWFJFHSA-N 2 2 371.485 0.900 10 0 FCAELP CC[NH+](CC)CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000569622640 491175743 /nfs/dbraw/zinc/17/57/43/491175743.db2.gz ZZYGJOIJVKICDV-JKSUJKDBSA-N 2 2 359.536 0.686 10 0 FCAELP CC[NH+](CC)CCN(C(=O)C[N@H+]1CC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000569622640 491175745 /nfs/dbraw/zinc/17/57/45/491175745.db2.gz ZZYGJOIJVKICDV-JKSUJKDBSA-N 2 2 359.536 0.686 10 0 FCAELP CC(=O)NCCN(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000569719254 491185388 /nfs/dbraw/zinc/18/53/88/491185388.db2.gz BBBGZCMAKQVNGA-UHFFFAOYSA-N 2 2 353.511 0.714 10 0 FCAELP C[N@@H+]1CCN(C(=O)Nc2ccc(F)cc2N2CCOCC2)[C@H](C[NH3+])C1 ZINC000562765618 491187605 /nfs/dbraw/zinc/18/76/05/491187605.db2.gz UIJWMVVJTJEHCY-CQSZACIVSA-N 2 2 351.426 0.769 10 0 FCAELP C[N@H+]1CCN(C(=O)Nc2ccc(F)cc2N2CCOCC2)[C@H](C[NH3+])C1 ZINC000562765618 491187608 /nfs/dbraw/zinc/18/76/08/491187608.db2.gz UIJWMVVJTJEHCY-CQSZACIVSA-N 2 2 351.426 0.769 10 0 FCAELP O=C(C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000572483026 491373065 /nfs/dbraw/zinc/37/30/65/491373065.db2.gz LEGRUOAARIKORZ-NRFANRHFSA-N 2 2 370.497 0.933 10 0 FCAELP C[C@@H]1C[NH+](CCNc2cncc(NCC[N@@H+]3CCO[C@@H](C)C3)n2)CCO1 ZINC000557569120 491383840 /nfs/dbraw/zinc/38/38/40/491383840.db2.gz DBVUDBWAEWQFJF-IYBDPMFKSA-N 2 2 364.494 0.742 10 0 FCAELP C[C@@H]1C[NH+](CCNc2cncc(NCC[N@H+]3CCO[C@@H](C)C3)n2)CCO1 ZINC000557569120 491383843 /nfs/dbraw/zinc/38/38/43/491383843.db2.gz DBVUDBWAEWQFJF-IYBDPMFKSA-N 2 2 364.494 0.742 10 0 FCAELP C[C@@H]1C[N@H+](CCNc2cncc(NCC[NH+]3CCO[C@@H](C)C3)n2)CCO1 ZINC000557569120 491383845 /nfs/dbraw/zinc/38/38/45/491383845.db2.gz DBVUDBWAEWQFJF-IYBDPMFKSA-N 2 2 364.494 0.742 10 0 FCAELP C[C@@H]1C[N@@H+](CCNc2cncc(NCC[NH+]3CCO[C@@H](C)C3)n2)CCO1 ZINC000557569120 491383847 /nfs/dbraw/zinc/38/38/47/491383847.db2.gz DBVUDBWAEWQFJF-IYBDPMFKSA-N 2 2 364.494 0.742 10 0 FCAELP CC[NH+](CC)CCNC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000565847659 491403264 /nfs/dbraw/zinc/40/32/64/491403264.db2.gz KMAVIVLOQVVMCZ-INIZCTEOSA-N 2 2 354.495 0.158 10 0 FCAELP CC(C)CN(C(=O)C[NH+]1CCC(CC[NH3+])CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000566015359 491412651 /nfs/dbraw/zinc/41/26/51/491412651.db2.gz UDHVOULYUBXHKQ-MRXNPFEDSA-N 2 2 359.536 0.719 10 0 FCAELP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])C1 ZINC000573370912 491429537 /nfs/dbraw/zinc/42/95/37/491429537.db2.gz QCXHGWFDZHLKAW-RDJZCZTQSA-N 2 2 367.453 0.821 10 0 FCAELP COc1cc[nH+]c(N2CC[NH+](C[C@@H]3CCN(S(C)(=O)=O)C3)CC2)c1 ZINC000558724141 491443953 /nfs/dbraw/zinc/44/39/53/491443953.db2.gz ABDXJTDPGABLMK-AWEZNQCLSA-N 2 2 354.476 0.494 10 0 FCAELP C[C@H]([C@H](C)NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[NH+]1CCOCC1 ZINC000566991338 491479723 /nfs/dbraw/zinc/47/97/23/491479723.db2.gz BNIHYRSOYMYCEK-BFZKSOEOSA-N 2 2 366.506 0.343 10 0 FCAELP C[C@H]([C@H](C)NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[NH+]1CCOCC1 ZINC000566991338 491479726 /nfs/dbraw/zinc/47/97/26/491479726.db2.gz BNIHYRSOYMYCEK-BFZKSOEOSA-N 2 2 366.506 0.343 10 0 FCAELP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000559780821 491499593 /nfs/dbraw/zinc/49/95/93/491499593.db2.gz VGEIFPCVEUCZBU-HNNXBMFYSA-N 2 2 354.495 0.062 10 0 FCAELP CC[NH+]1CCN(CC(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)CC1 ZINC000560011329 491514480 /nfs/dbraw/zinc/51/44/80/491514480.db2.gz WLTWLPJVSPWHPY-UHFFFAOYSA-N 2 2 359.474 0.106 10 0 FCAELP CC[NH+]1CCN(CC(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)CC1 ZINC000560011329 491514481 /nfs/dbraw/zinc/51/44/81/491514481.db2.gz WLTWLPJVSPWHPY-UHFFFAOYSA-N 2 2 359.474 0.106 10 0 FCAELP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000567572256 491514766 /nfs/dbraw/zinc/51/47/66/491514766.db2.gz KZDYNFOAWROMKL-RDJZCZTQSA-N 2 2 354.520 0.730 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000574989158 491532079 /nfs/dbraw/zinc/53/20/79/491532079.db2.gz HHOIILGQKSEWDR-GOSISDBHSA-N 2 2 374.485 0.252 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C[C@@]1(C)C[NH3+] ZINC000575742095 491557796 /nfs/dbraw/zinc/55/77/96/491557796.db2.gz CDCQXRCRNITICP-RDTXWAMCSA-N 2 2 364.515 0.836 10 0 FCAELP CC[NH+]1CCN(CC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000673669670 493356333 /nfs/dbraw/zinc/35/63/33/493356333.db2.gz LYUKAGBUDDRPMR-SFHVURJKSA-N 3 2 351.539 0.251 10 0 FCAELP CC[NH+]1CCN(CC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000673669670 493356339 /nfs/dbraw/zinc/35/63/39/493356339.db2.gz LYUKAGBUDDRPMR-SFHVURJKSA-N 3 2 351.539 0.251 10 0 FCAELP COCCCNC(=O)[C@@H](C)[NH+]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000575809601 491562374 /nfs/dbraw/zinc/56/23/74/491562374.db2.gz ABRWNGADRZKFMB-QGZVFWFLSA-N 2 2 374.529 0.991 10 0 FCAELP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000561009422 491569941 /nfs/dbraw/zinc/56/99/41/491569941.db2.gz FCGRKASXAXKTJU-CYBMUJFWSA-N 2 2 373.413 0.369 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000561035588 491571851 /nfs/dbraw/zinc/57/18/51/491571851.db2.gz WQJUHDVBBXCDBQ-KLAILNCOSA-N 2 2 368.522 0.402 10 0 FCAELP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000561120481 491576101 /nfs/dbraw/zinc/57/61/01/491576101.db2.gz GQIWOUZTQQUMMD-MRXNPFEDSA-N 2 2 363.462 0.274 10 0 FCAELP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000561120481 491576103 /nfs/dbraw/zinc/57/61/03/491576103.db2.gz GQIWOUZTQQUMMD-MRXNPFEDSA-N 2 2 363.462 0.274 10 0 FCAELP Cc1ccc([C@@H](CNC(=O)N2CCOC3(C[NH2+]C3)C2)[NH+]2CCOCC2)cc1 ZINC000584458664 491593639 /nfs/dbraw/zinc/59/36/39/491593639.db2.gz ALKPLOWBUJHDQD-GOSISDBHSA-N 2 2 374.485 0.752 10 0 FCAELP C[C@H]1CC[N@@H+](CC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000576356641 491607863 /nfs/dbraw/zinc/60/78/63/491607863.db2.gz GQEOJNVAIUOPCQ-INIZCTEOSA-N 2 2 374.489 0.304 10 0 FCAELP C[C@H]1CC[N@H+](CC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000576356641 491607866 /nfs/dbraw/zinc/60/78/66/491607866.db2.gz GQEOJNVAIUOPCQ-INIZCTEOSA-N 2 2 374.489 0.304 10 0 FCAELP C[C@H]1CC[N@@H+](CC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000576356641 491607869 /nfs/dbraw/zinc/60/78/69/491607869.db2.gz GQEOJNVAIUOPCQ-INIZCTEOSA-N 2 2 374.489 0.304 10 0 FCAELP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000576562989 491625133 /nfs/dbraw/zinc/62/51/33/491625133.db2.gz HIQFWPHCFHMVJA-AWEZNQCLSA-N 2 2 358.446 0.415 10 0 FCAELP O=C(C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)N1CCOC[C@@H]1C1CC1 ZINC000660480805 493355903 /nfs/dbraw/zinc/35/59/03/493355903.db2.gz WYONRXPUUVREII-QZTJIDSGSA-N 2 2 351.491 0.811 10 0 FCAELP O=C(C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)N1CCOC[C@@H]1C1CC1 ZINC000660480805 493355905 /nfs/dbraw/zinc/35/59/05/493355905.db2.gz WYONRXPUUVREII-QZTJIDSGSA-N 2 2 351.491 0.811 10 0 FCAELP CC[C@@](C)(CO)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000576648251 491633177 /nfs/dbraw/zinc/63/31/77/491633177.db2.gz YMSXTRICCDIFBK-IBGZPJMESA-N 2 2 368.522 0.092 10 0 FCAELP CN1CCN(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)[C@@H](C[NH3+])C1 ZINC000578334960 491674938 /nfs/dbraw/zinc/67/49/38/491674938.db2.gz BYOMWAQMOUDYOZ-HNNXBMFYSA-N 2 2 365.909 0.982 10 0 FCAELP CN1CCN(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)[C@@H](C[NH3+])C1 ZINC000578334960 491674939 /nfs/dbraw/zinc/67/49/39/491674939.db2.gz BYOMWAQMOUDYOZ-HNNXBMFYSA-N 2 2 365.909 0.982 10 0 FCAELP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000578426988 491677026 /nfs/dbraw/zinc/67/70/26/491677026.db2.gz AHFDJMUNLQNMSK-UKRRQHHQSA-N 2 2 350.488 0.507 10 0 FCAELP CCOC(=O)c1sc([C@@H](C)NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])nc1C ZINC000579932260 491709882 /nfs/dbraw/zinc/70/98/82/491709882.db2.gz CCDUDXAJZDXPAL-VXGBXAGGSA-N 2 2 369.491 0.974 10 0 FCAELP COCC[NH2+]C1CCN(C(=O)C(=O)NCc2cn3cc(C)ccc3[nH+]2)CC1 ZINC000581078503 491758302 /nfs/dbraw/zinc/75/83/02/491758302.db2.gz WJCZISDUNHKBGQ-UHFFFAOYSA-N 2 2 373.457 0.486 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCO[C@]3(CCSC3)C2)C1 ZINC000582782656 491826631 /nfs/dbraw/zinc/82/66/31/491826631.db2.gz INNUENQVHAVOAI-SJLPKXTDSA-N 2 2 371.547 0.667 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCO[C@]3(CCSC3)C2)C1 ZINC000582782656 491826632 /nfs/dbraw/zinc/82/66/32/491826632.db2.gz INNUENQVHAVOAI-SJLPKXTDSA-N 2 2 371.547 0.667 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCO[C@]3(CCSC3)C2)C1 ZINC000582782656 491826634 /nfs/dbraw/zinc/82/66/34/491826634.db2.gz INNUENQVHAVOAI-SJLPKXTDSA-N 2 2 371.547 0.667 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCO[C@]3(CCSC3)C2)C1 ZINC000582782656 491826636 /nfs/dbraw/zinc/82/66/36/491826636.db2.gz INNUENQVHAVOAI-SJLPKXTDSA-N 2 2 371.547 0.667 10 0 FCAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000583310360 491841983 /nfs/dbraw/zinc/84/19/83/491841983.db2.gz NUSNPMQUWRUJGW-GASCZTMLSA-N 2 2 373.457 0.518 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000584220369 491860914 /nfs/dbraw/zinc/86/09/14/491860914.db2.gz KXRVGAMKRIDHLM-CQSZACIVSA-N 2 2 359.430 0.776 10 0 FCAELP COCC[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000584356972 491863767 /nfs/dbraw/zinc/86/37/67/491863767.db2.gz LUMSOPSPLXRGEV-CQSZACIVSA-N 2 2 363.462 0.343 10 0 FCAELP COC(=O)[C@@H]1O[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H]1C ZINC000601155306 491897847 /nfs/dbraw/zinc/89/78/47/491897847.db2.gz GNFHRALGZFKLRZ-XLNGHYISSA-N 2 2 367.490 0.580 10 0 FCAELP COC(=O)[C@@H]1O[C@@H](C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H]1C ZINC000601155306 491897849 /nfs/dbraw/zinc/89/78/49/491897849.db2.gz GNFHRALGZFKLRZ-XLNGHYISSA-N 2 2 367.490 0.580 10 0 FCAELP CS[C@@H]1CN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH+]1CCCC1 ZINC000601396140 491912410 /nfs/dbraw/zinc/91/24/10/491912410.db2.gz BWEDQVQJJLPSPW-RBSFLKMASA-N 2 2 363.549 0.158 10 0 FCAELP CS[C@@H]1CN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH+]1CCCC1 ZINC000601396140 491912411 /nfs/dbraw/zinc/91/24/11/491912411.db2.gz BWEDQVQJJLPSPW-RBSFLKMASA-N 2 2 363.549 0.158 10 0 FCAELP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000612547521 491932653 /nfs/dbraw/zinc/93/26/53/491932653.db2.gz FIIDYUARPNSXIC-IRXDYDNUSA-N 2 2 366.506 0.300 10 0 FCAELP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000612547521 491932655 /nfs/dbraw/zinc/93/26/55/491932655.db2.gz FIIDYUARPNSXIC-IRXDYDNUSA-N 2 2 366.506 0.300 10 0 FCAELP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1 ZINC000595721367 491949994 /nfs/dbraw/zinc/94/99/94/491949994.db2.gz WSXVMGBAIKAUJL-RVKKMQEKSA-N 2 2 358.479 0.216 10 0 FCAELP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1 ZINC000595721367 491949995 /nfs/dbraw/zinc/94/99/95/491949995.db2.gz WSXVMGBAIKAUJL-RVKKMQEKSA-N 2 2 358.479 0.216 10 0 FCAELP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1 ZINC000595721367 491949996 /nfs/dbraw/zinc/94/99/96/491949996.db2.gz WSXVMGBAIKAUJL-RVKKMQEKSA-N 2 2 358.479 0.216 10 0 FCAELP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1 ZINC000595721367 491949997 /nfs/dbraw/zinc/94/99/97/491949997.db2.gz WSXVMGBAIKAUJL-RVKKMQEKSA-N 2 2 358.479 0.216 10 0 FCAELP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O)C1CC1 ZINC000601969444 491956206 /nfs/dbraw/zinc/95/62/06/491956206.db2.gz RGCKBOXWFSUVBY-JKSUJKDBSA-N 2 2 369.506 0.754 10 0 FCAELP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O)C1CC1 ZINC000601969444 491956207 /nfs/dbraw/zinc/95/62/07/491956207.db2.gz RGCKBOXWFSUVBY-JKSUJKDBSA-N 2 2 369.506 0.754 10 0 FCAELP COC(=O)CCN1CCC[C@@H]([NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1=O ZINC000595864684 491957632 /nfs/dbraw/zinc/95/76/32/491957632.db2.gz VMWAQCURSMENON-JKSUJKDBSA-N 2 2 353.463 0.072 10 0 FCAELP COC(=O)CCN1CCC[C@@H]([NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)C1=O ZINC000595864684 491957635 /nfs/dbraw/zinc/95/76/35/491957635.db2.gz VMWAQCURSMENON-JKSUJKDBSA-N 2 2 353.463 0.072 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N[C@H]2CC23CC[NH2+]CC3)C1=O ZINC000612981217 491960785 /nfs/dbraw/zinc/96/07/85/491960785.db2.gz ZKSBYLGYICHZNA-KBPBESRZSA-N 2 2 360.462 0.352 10 0 FCAELP COC(=O)c1cnc([C@H]2CCC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)s1 ZINC000595914052 491961269 /nfs/dbraw/zinc/96/12/69/491961269.db2.gz LCEGMYRBXUOBHM-ZDUSSCGKSA-N 2 2 366.487 0.883 10 0 FCAELP COC(=O)c1cnc([C@H]2CCC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)s1 ZINC000595914052 491961272 /nfs/dbraw/zinc/96/12/72/491961272.db2.gz LCEGMYRBXUOBHM-ZDUSSCGKSA-N 2 2 366.487 0.883 10 0 FCAELP COC(=O)CCN1CCC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1=O ZINC000596045868 491973417 /nfs/dbraw/zinc/97/34/17/491973417.db2.gz HDXJQFJYSYNTKD-HOTGVXAUSA-N 2 2 353.463 0.383 10 0 FCAELP CCCN1C(=O)CC[C@@H](C(=O)N[C@@H](CO)C[NH+](C)C)[C@@H]1c1c[nH+]cn1C ZINC000614847352 492059783 /nfs/dbraw/zinc/05/97/83/492059783.db2.gz KPHKIYRETYURAN-CKEIUWERSA-N 2 2 365.478 0.149 10 0 FCAELP C[NH+]1CCC(CNC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000606677863 492126291 /nfs/dbraw/zinc/12/62/91/492126291.db2.gz SUBCTKDPLOUPNX-UHFFFAOYSA-N 2 2 365.522 0.572 10 0 FCAELP CCOC(=O)C[C@H](O)C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000599376043 492165487 /nfs/dbraw/zinc/16/54/87/492165487.db2.gz CMIOWUFKJFGTDB-HKUYNNGSSA-N 2 2 350.459 0.869 10 0 FCAELP CCOC(=O)C[C@H](O)C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000599376043 492165488 /nfs/dbraw/zinc/16/54/88/492165488.db2.gz CMIOWUFKJFGTDB-HKUYNNGSSA-N 2 2 350.459 0.869 10 0 FCAELP CCOC(=O)C[C@H](O)C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000599376043 492165489 /nfs/dbraw/zinc/16/54/89/492165489.db2.gz CMIOWUFKJFGTDB-HKUYNNGSSA-N 2 2 350.459 0.869 10 0 FCAELP CCOC(=O)C[C@H](O)C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000599376043 492165490 /nfs/dbraw/zinc/16/54/90/492165490.db2.gz CMIOWUFKJFGTDB-HKUYNNGSSA-N 2 2 350.459 0.869 10 0 FCAELP C[C@H]1C[N@H+](CCNC(=O)C2CC[NH+](Cc3nccn3C)CC2)[C@@H](C)CO1 ZINC000617730541 492185177 /nfs/dbraw/zinc/18/51/77/492185177.db2.gz OCVOSKAUCIPOTF-HOTGVXAUSA-N 2 2 363.506 0.858 10 0 FCAELP C[C@H]1C[N@@H+](CCNC(=O)C2CC[NH+](Cc3nccn3C)CC2)[C@@H](C)CO1 ZINC000617730541 492185179 /nfs/dbraw/zinc/18/51/79/492185179.db2.gz OCVOSKAUCIPOTF-HOTGVXAUSA-N 2 2 363.506 0.858 10 0 FCAELP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000617730540 492185671 /nfs/dbraw/zinc/18/56/71/492185671.db2.gz OCVOSKAUCIPOTF-CVEARBPZSA-N 2 2 363.506 0.858 10 0 FCAELP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000617730540 492185675 /nfs/dbraw/zinc/18/56/75/492185675.db2.gz OCVOSKAUCIPOTF-CVEARBPZSA-N 2 2 363.506 0.858 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@]1(c2ccccc2)CCC(=O)NC1 ZINC000617763983 492190056 /nfs/dbraw/zinc/19/00/56/492190056.db2.gz DSDSEOHLCPJSEJ-HXUWFJFHSA-N 2 2 360.502 0.834 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@]1(c2ccccc2)CCC(=O)NC1 ZINC000617763983 492190058 /nfs/dbraw/zinc/19/00/58/492190058.db2.gz DSDSEOHLCPJSEJ-HXUWFJFHSA-N 2 2 360.502 0.834 10 0 FCAELP C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767233 492190591 /nfs/dbraw/zinc/19/05/91/492190591.db2.gz LRXSPWRERNYAOI-CQSZACIVSA-N 2 2 374.489 0.681 10 0 FCAELP C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767233 492190592 /nfs/dbraw/zinc/19/05/92/492190592.db2.gz LRXSPWRERNYAOI-CQSZACIVSA-N 2 2 374.489 0.681 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000617767781 492190997 /nfs/dbraw/zinc/19/09/97/492190997.db2.gz CHGIIGQODMOVPW-HNNXBMFYSA-N 2 2 350.463 0.628 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000617767781 492191000 /nfs/dbraw/zinc/19/10/00/492191000.db2.gz CHGIIGQODMOVPW-HNNXBMFYSA-N 2 2 350.463 0.628 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(N2CCNC2=O)ccc1F ZINC000617766776 492191099 /nfs/dbraw/zinc/19/10/99/492191099.db2.gz UWKBBQDYFLDATI-UHFFFAOYSA-N 2 2 365.453 0.969 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(N2CCNC2=O)ccc1F ZINC000617766776 492191102 /nfs/dbraw/zinc/19/11/02/492191102.db2.gz UWKBBQDYFLDATI-UHFFFAOYSA-N 2 2 365.453 0.969 10 0 FCAELP CCS(=O)(=O)N1CCC(C(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1 ZINC000617768826 492191338 /nfs/dbraw/zinc/19/13/38/492191338.db2.gz WCSYFFNAEOSTIL-UHFFFAOYSA-N 2 2 362.540 0.048 10 0 FCAELP CCS(=O)(=O)N1CCC(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000617768826 492191339 /nfs/dbraw/zinc/19/13/39/492191339.db2.gz WCSYFFNAEOSTIL-UHFFFAOYSA-N 2 2 362.540 0.048 10 0 FCAELP CSCCCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000609875190 492225652 /nfs/dbraw/zinc/22/56/52/492225652.db2.gz CHRLCPWPADGDHX-UHFFFAOYSA-N 2 2 370.563 0.826 10 0 FCAELP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@H]2CCC[NH+](C)C2)CC1 ZINC000618561171 492231592 /nfs/dbraw/zinc/23/15/92/492231592.db2.gz QKRCPGPTLZVZGI-INIZCTEOSA-N 2 2 353.511 0.666 10 0 FCAELP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@H]2CCC[NH+](C)C2)CC1 ZINC000618561171 492231594 /nfs/dbraw/zinc/23/15/94/492231594.db2.gz QKRCPGPTLZVZGI-INIZCTEOSA-N 2 2 353.511 0.666 10 0 FCAELP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000618561171 492231596 /nfs/dbraw/zinc/23/15/96/492231596.db2.gz QKRCPGPTLZVZGI-INIZCTEOSA-N 2 2 353.511 0.666 10 0 FCAELP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000618561171 492231597 /nfs/dbraw/zinc/23/15/97/492231597.db2.gz QKRCPGPTLZVZGI-INIZCTEOSA-N 2 2 353.511 0.666 10 0 FCAELP COC(=O)[C@H](O)C1CC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000610995527 492273973 /nfs/dbraw/zinc/27/39/73/492273973.db2.gz WCSFIZNQXYEPOV-ZWKOTPCHSA-N 2 2 350.459 0.725 10 0 FCAELP COC(=O)[C@H](O)C1CC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000610995527 492273975 /nfs/dbraw/zinc/27/39/75/492273975.db2.gz WCSFIZNQXYEPOV-ZWKOTPCHSA-N 2 2 350.459 0.725 10 0 FCAELP O=C(CNC(=O)c1cccc(C[NH+]2CCCC2)c1)NCC[NH+]1CCOCC1 ZINC000600493409 492275026 /nfs/dbraw/zinc/27/50/26/492275026.db2.gz SOHZMOLXBZBBNM-UHFFFAOYSA-N 2 2 374.485 0.461 10 0 FCAELP O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654358013 492294399 /nfs/dbraw/zinc/29/43/99/492294399.db2.gz RKWYFHNBOINQES-IPMKNSEASA-N 2 2 374.485 0.520 10 0 FCAELP O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654358013 492294403 /nfs/dbraw/zinc/29/44/03/492294403.db2.gz RKWYFHNBOINQES-IPMKNSEASA-N 2 2 374.485 0.520 10 0 FCAELP O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000627443273 492297482 /nfs/dbraw/zinc/29/74/82/492297482.db2.gz FGXMXVJCCCDLPU-HNNXBMFYSA-N 2 2 362.499 0.793 10 0 FCAELP O=C(NCc1ccc[nH+]c1N1CCCC1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627446535 492299006 /nfs/dbraw/zinc/29/90/06/492299006.db2.gz OUYMAIVFNMVMBT-OAHLLOKOSA-N 2 2 357.458 0.699 10 0 FCAELP C[C@@H](CNC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000654460525 492307432 /nfs/dbraw/zinc/30/74/32/492307432.db2.gz DFTGCFVLCUKCAW-XLAORIBOSA-N 2 2 369.554 0.667 10 0 FCAELP C[C@@H](CNC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000654460525 492307436 /nfs/dbraw/zinc/30/74/36/492307436.db2.gz DFTGCFVLCUKCAW-XLAORIBOSA-N 2 2 369.554 0.667 10 0 FCAELP C[C@@H](CNC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC000654460525 492307439 /nfs/dbraw/zinc/30/74/39/492307439.db2.gz DFTGCFVLCUKCAW-XLAORIBOSA-N 2 2 369.554 0.667 10 0 FCAELP C[C@@H](CNC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC000654460525 492307442 /nfs/dbraw/zinc/30/74/42/492307442.db2.gz DFTGCFVLCUKCAW-XLAORIBOSA-N 2 2 369.554 0.667 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1=O ZINC000654524827 492316347 /nfs/dbraw/zinc/31/63/47/492316347.db2.gz AVBSNWJOFHJIRJ-QLFBSQMISA-N 2 2 362.478 0.551 10 0 FCAELP C[C@@H]1C[NH+](CCCNc2nc(NCCO)c3ccccc3[nH+]2)C[C@@H](C)O1 ZINC000641847972 492319420 /nfs/dbraw/zinc/31/94/20/492319420.db2.gz ODRDYXDFHPCICV-HUUCEWRRSA-N 2 2 359.474 0.789 10 0 FCAELP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652967 492331641 /nfs/dbraw/zinc/33/16/41/492331641.db2.gz UFTQZDICQQHBDB-TVFCKZIOSA-N 2 2 369.554 0.809 10 0 FCAELP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652967 492331643 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COc1ccccc1COC[C@@H](O)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649688913 492573419 /nfs/dbraw/zinc/57/34/19/492573419.db2.gz SJILKDZFQNXWLJ-KRWDZBQOSA-N 2 2 365.474 0.279 10 0 FCAELP COc1ccccc1COC[C@@H](O)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649688913 492573420 /nfs/dbraw/zinc/57/34/20/492573420.db2.gz SJILKDZFQNXWLJ-KRWDZBQOSA-N 2 2 365.474 0.279 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656295890 492575052 /nfs/dbraw/zinc/57/50/52/492575052.db2.gz OHJYOKVEWGZXNU-LUKYLMHMSA-N 2 2 368.522 0.448 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656295890 492575056 /nfs/dbraw/zinc/57/50/56/492575056.db2.gz OHJYOKVEWGZXNU-LUKYLMHMSA-N 2 2 368.522 0.448 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCC[NH+]1CCC[C@H](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656295890 492575063 /nfs/dbraw/zinc/57/50/63/492575063.db2.gz OHJYOKVEWGZXNU-LUKYLMHMSA-N 2 2 368.522 0.448 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCC[NH+]1CCC[C@H](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656295890 492575065 /nfs/dbraw/zinc/57/50/65/492575065.db2.gz OHJYOKVEWGZXNU-LUKYLMHMSA-N 2 2 368.522 0.448 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656300837 492577127 /nfs/dbraw/zinc/57/71/27/492577127.db2.gz VBGOCVHWNCAGGQ-NQNKBUKLSA-N 2 2 366.506 0.343 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656300837 492577133 /nfs/dbraw/zinc/57/71/33/492577133.db2.gz VBGOCVHWNCAGGQ-NQNKBUKLSA-N 2 2 366.506 0.343 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656300837 492577135 /nfs/dbraw/zinc/57/71/35/492577135.db2.gz VBGOCVHWNCAGGQ-NQNKBUKLSA-N 2 2 366.506 0.343 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656300837 492577139 /nfs/dbraw/zinc/57/71/39/492577139.db2.gz VBGOCVHWNCAGGQ-NQNKBUKLSA-N 2 2 366.506 0.343 10 0 FCAELP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656302979 492578355 /nfs/dbraw/zinc/57/83/55/492578355.db2.gz OBLMNYDSGSKOQZ-YHUYYLMFSA-N 2 2 356.511 0.447 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCc1ccn2cc[nH+]c2c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656329752 492595679 /nfs/dbraw/zinc/59/56/79/492595679.db2.gz KNXNGALYMXMSET-SOUVJXGZSA-N 2 2 373.457 0.564 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCc1ccn2cc[nH+]c2c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656329752 492595681 /nfs/dbraw/zinc/59/56/81/492595681.db2.gz KNXNGALYMXMSET-SOUVJXGZSA-N 2 2 373.457 0.564 10 0 FCAELP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)C1 ZINC000624307096 492637615 /nfs/dbraw/zinc/63/76/15/492637615.db2.gz YZVKMPLRPXWNIM-KSZLIROESA-N 2 2 361.490 0.922 10 0 FCAELP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)C1 ZINC000624307096 492637619 /nfs/dbraw/zinc/63/76/19/492637619.db2.gz YZVKMPLRPXWNIM-KSZLIROESA-N 2 2 361.490 0.922 10 0 FCAELP O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000629580741 492656782 /nfs/dbraw/zinc/65/67/82/492656782.db2.gz GKPGROQYRWTDBV-HOTGVXAUSA-N 2 2 353.488 0.496 10 0 FCAELP COCCOCC[NH+]1CCN(C(=O)NCc2ccc[nH+]c2N(C)C)CC1 ZINC000650641710 492657259 /nfs/dbraw/zinc/65/72/59/492657259.db2.gz HQWZQXLIGNIQFC-UHFFFAOYSA-N 2 2 365.478 0.638 10 0 FCAELP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000629606644 492658615 /nfs/dbraw/zinc/65/86/15/492658615.db2.gz KQMCCNHDQJVVLF-ZWKOTPCHSA-N 2 2 361.486 0.830 10 0 FCAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CC(=O)NCCCN1CCCCCC1=O)C2 ZINC000629595997 492658955 /nfs/dbraw/zinc/65/89/55/492658955.db2.gz PBQJIJDCXZDYIV-KDURUIRLSA-N 2 2 350.507 0.827 10 0 FCAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC(=O)NCCCN1CCCCCC1=O)C2 ZINC000629595997 492658958 /nfs/dbraw/zinc/65/89/58/492658958.db2.gz PBQJIJDCXZDYIV-KDURUIRLSA-N 2 2 350.507 0.827 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC[C@]3(O)CCOC3)CC2)CC1 ZINC000650797873 492669288 /nfs/dbraw/zinc/66/92/88/492669288.db2.gz GAACNCYVYOKAHZ-SFHVURJKSA-N 2 2 354.495 0.386 10 0 FCAELP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000624730098 492675214 /nfs/dbraw/zinc/67/52/14/492675214.db2.gz HRJUPDNKBKBOQB-QGZVFWFLSA-N 2 2 354.495 0.461 10 0 FCAELP C[N@H+]1CCOC[C@H]1CNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000624730098 492675218 /nfs/dbraw/zinc/67/52/18/492675218.db2.gz HRJUPDNKBKBOQB-QGZVFWFLSA-N 2 2 354.495 0.461 10 0 FCAELP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)N(C)CCOCC[NH2+]C ZINC000629800762 492679194 /nfs/dbraw/zinc/67/91/94/492679194.db2.gz AQSNFOMTVHPFOW-OAHLLOKOSA-N 2 2 365.478 0.651 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(N(C)C)nc1 ZINC000657070975 492709223 /nfs/dbraw/zinc/70/92/23/492709223.db2.gz DAUXVVAKEWAMQQ-AWEZNQCLSA-N 2 2 357.524 0.698 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(N(C)C)nc1 ZINC000657070975 492709228 /nfs/dbraw/zinc/70/92/28/492709228.db2.gz DAUXVVAKEWAMQQ-AWEZNQCLSA-N 2 2 357.524 0.698 10 0 FCAELP C[NH+]1CCN(C(=O)C2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)CC2)CC1 ZINC000651106691 492710246 /nfs/dbraw/zinc/71/02/46/492710246.db2.gz JOVROWNEEWETEU-UHFFFAOYSA-N 2 2 373.501 0.775 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000657091259 492715657 /nfs/dbraw/zinc/71/56/57/492715657.db2.gz LDCUVHVMYMKGNQ-UHFFFAOYSA-N 2 2 371.429 0.607 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000657091259 492715661 /nfs/dbraw/zinc/71/56/61/492715661.db2.gz LDCUVHVMYMKGNQ-UHFFFAOYSA-N 2 2 371.429 0.607 10 0 FCAELP c1nnn(Cc2ccccc2)c1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000644386911 492734110 /nfs/dbraw/zinc/73/41/10/492734110.db2.gz SDCHJKLVJLQAGW-IBGZPJMESA-N 2 2 370.501 0.823 10 0 FCAELP C[NH+](C)CCN(C(=O)Cc1cn2c([nH+]1)CCCC2)[C@H]1CCS(=O)(=O)C1 ZINC000651455412 492761780 /nfs/dbraw/zinc/76/17/80/492761780.db2.gz NDSLTAFVPGIOGP-HNNXBMFYSA-N 2 2 368.503 0.339 10 0 FCAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000651506082 492770565 /nfs/dbraw/zinc/77/05/65/492770565.db2.gz APNNUQQFOHOJCW-KRWDZBQOSA-N 2 2 362.474 0.712 10 0 FCAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000644512508 492780822 /nfs/dbraw/zinc/78/08/22/492780822.db2.gz PSSVWJQXEBNAHU-QGZVFWFLSA-N 2 2 363.483 0.917 10 0 FCAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000644512508 492780827 /nfs/dbraw/zinc/78/08/27/492780827.db2.gz PSSVWJQXEBNAHU-QGZVFWFLSA-N 2 2 363.483 0.917 10 0 FCAELP Cc1cc(C[NH2+]C[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)on1 ZINC000631121391 492798874 /nfs/dbraw/zinc/79/88/74/492798874.db2.gz PSAJMYIWTYVEDT-OAHLLOKOSA-N 2 2 372.473 0.919 10 0 FCAELP C[N@@H+]1C[C@H]2CCN(CC(=O)NCc3ccccc3C[NH+]3CCOCC3)[C@H]2C1 ZINC000644730085 492803577 /nfs/dbraw/zinc/80/35/77/492803577.db2.gz UCZIBWMKVIHMFX-UXHICEINSA-N 2 2 372.513 0.771 10 0 FCAELP C[N@H+]1C[C@H]2CCN(CC(=O)NCc3ccccc3C[NH+]3CCOCC3)[C@H]2C1 ZINC000644730085 492803583 /nfs/dbraw/zinc/80/35/83/492803583.db2.gz UCZIBWMKVIHMFX-UXHICEINSA-N 2 2 372.513 0.771 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CNC(=O)c4ccccc43)C2)CC1 ZINC000625522178 492809507 /nfs/dbraw/zinc/80/95/07/492809507.db2.gz LNOOCCRAVWUUAU-RDTXWAMCSA-N 2 2 356.470 0.798 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CNC(=O)c4ccccc43)C2)CC1 ZINC000625522178 492809512 /nfs/dbraw/zinc/80/95/12/492809512.db2.gz LNOOCCRAVWUUAU-RDTXWAMCSA-N 2 2 356.470 0.798 10 0 FCAELP C[N@@H+]1CCO[C@H](CS(=O)(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000631658053 492830037 /nfs/dbraw/zinc/83/00/37/492830037.db2.gz BXFFOUATHYLPNZ-SJORKVTESA-N 2 2 353.488 0.511 10 0 FCAELP C[N@H+]1CCO[C@H](CS(=O)(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000631658053 492830040 /nfs/dbraw/zinc/83/00/40/492830040.db2.gz BXFFOUATHYLPNZ-SJORKVTESA-N 2 2 353.488 0.511 10 0 FCAELP C[NH+]1CCO[C@H](CS(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000631658053 492830041 /nfs/dbraw/zinc/83/00/41/492830041.db2.gz BXFFOUATHYLPNZ-SJORKVTESA-N 2 2 353.488 0.511 10 0 FCAELP C[NH+]1CCO[C@H](CS(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000631658053 492830044 /nfs/dbraw/zinc/83/00/44/492830044.db2.gz BXFFOUATHYLPNZ-SJORKVTESA-N 2 2 353.488 0.511 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000637480457 492837894 /nfs/dbraw/zinc/83/78/94/492837894.db2.gz IBNAHJNEXYKSTR-WBVHZDCISA-N 2 2 365.478 0.800 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000637480457 492837896 /nfs/dbraw/zinc/83/78/96/492837896.db2.gz IBNAHJNEXYKSTR-WBVHZDCISA-N 2 2 365.478 0.800 10 0 FCAELP C[C@H](CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)[NH+]1CCc2sccc2C1 ZINC000631728133 492842494 /nfs/dbraw/zinc/84/24/94/492842494.db2.gz VRAKZPAAWOCEMP-HIFRSBDPSA-N 2 2 373.544 0.745 10 0 FCAELP C[C@H](CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCc2sccc2C1 ZINC000631728133 492842499 /nfs/dbraw/zinc/84/24/99/492842499.db2.gz VRAKZPAAWOCEMP-HIFRSBDPSA-N 2 2 373.544 0.745 10 0 FCAELP C[C@H](CNS(=O)(=O)C[C@@H]1C[NH+](C)CCO1)[N@@H+]1CCc2sccc2C1 ZINC000631728133 492842501 /nfs/dbraw/zinc/84/25/01/492842501.db2.gz VRAKZPAAWOCEMP-HIFRSBDPSA-N 2 2 373.544 0.745 10 0 FCAELP C[C@H](CNS(=O)(=O)C[C@@H]1C[NH+](C)CCO1)[N@H+]1CCc2sccc2C1 ZINC000631728133 492842507 /nfs/dbraw/zinc/84/25/07/492842507.db2.gz VRAKZPAAWOCEMP-HIFRSBDPSA-N 2 2 373.544 0.745 10 0 FCAELP C[NH+](C)CCOc1cccc(CNS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)c1 ZINC000631765876 492849379 /nfs/dbraw/zinc/84/93/79/492849379.db2.gz RHJHIWMABVMCJS-QGZVFWFLSA-N 2 2 371.503 0.377 10 0 FCAELP C[NH+](C)CCOc1cccc(CNS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)c1 ZINC000631765876 492849380 /nfs/dbraw/zinc/84/93/80/492849380.db2.gz RHJHIWMABVMCJS-QGZVFWFLSA-N 2 2 371.503 0.377 10 0 FCAELP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(S(=O)(=O)C[C@@H]2C[NH+](C)CCO2)C1 ZINC000631784993 492852439 /nfs/dbraw/zinc/85/24/39/492852439.db2.gz JVGBTDYPFWDGTN-YVSFHVDLSA-N 2 2 359.536 0.984 10 0 FCAELP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(S(=O)(=O)C[C@@H]2C[NH+](C)CCO2)C1 ZINC000631784993 492852442 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ZINC000652997526 493054459 /nfs/dbraw/zinc/05/44/59/493054459.db2.gz CCUNSHAUXKMLMZ-MSOLQXFVSA-N 2 2 371.522 0.683 10 0 FCAELP C[NH2+]CCOCCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000626920538 493064148 /nfs/dbraw/zinc/06/41/48/493064148.db2.gz DIPYDAUZJRVDLI-KRWDZBQOSA-N 2 2 350.463 0.423 10 0 FCAELP C[NH2+]CCOCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000626920538 493064151 /nfs/dbraw/zinc/06/41/51/493064151.db2.gz DIPYDAUZJRVDLI-KRWDZBQOSA-N 2 2 350.463 0.423 10 0 FCAELP O=S(=O)(CCC[NH+]1CCCC1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000632713153 493068997 /nfs/dbraw/zinc/06/89/97/493068997.db2.gz QPBHFTWUHIMLOC-UHFFFAOYSA-N 2 2 367.519 0.452 10 0 FCAELP Cc1cc(N2CCN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CC2)nc(C(C)C)[nH+]1 ZINC000653106762 493070796 /nfs/dbraw/zinc/07/07/96/493070796.db2.gz MMXQSIOMFUJCEZ-KXBFYZLASA-N 2 2 359.474 0.793 10 0 FCAELP CCN(C(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000658825203 493072095 /nfs/dbraw/zinc/07/20/95/493072095.db2.gz JUIIDGCKVKTOPR-MRXNPFEDSA-N 2 2 368.522 0.498 10 0 FCAELP CCN(C(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1)[C@@H]1CC[N@@H+](CC)C1 ZINC000658825203 493072097 /nfs/dbraw/zinc/07/20/97/493072097.db2.gz JUIIDGCKVKTOPR-MRXNPFEDSA-N 2 2 368.522 0.498 10 0 FCAELP CCN(C(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)[C@@H]1CC[NH+](CC)C1 ZINC000658825203 493072100 /nfs/dbraw/zinc/07/21/00/493072100.db2.gz JUIIDGCKVKTOPR-MRXNPFEDSA-N 2 2 368.522 0.498 10 0 FCAELP CCN(C(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)[C@@H]1CC[NH+](CC)C1 ZINC000658825203 493072102 /nfs/dbraw/zinc/07/21/02/493072102.db2.gz JUIIDGCKVKTOPR-MRXNPFEDSA-N 2 2 368.522 0.498 10 0 FCAELP C[C@@]1(CNC(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)CCC[NH2+]C1 ZINC000627085829 493086593 /nfs/dbraw/zinc/08/65/93/493086593.db2.gz XDFQUNFLJBULAH-PKOBYXMFSA-N 2 2 361.490 0.971 10 0 FCAELP C[C@@]1(CNC(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)CCC[NH2+]C1 ZINC000627085829 493086596 /nfs/dbraw/zinc/08/65/96/493086596.db2.gz XDFQUNFLJBULAH-PKOBYXMFSA-N 2 2 361.490 0.971 10 0 FCAELP [NH3+]CC[C@H](NC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)C(F)F ZINC000627099476 493087539 /nfs/dbraw/zinc/08/75/39/493087539.db2.gz RWVMRRDEJDVGDR-KBPBESRZSA-N 2 2 357.405 0.564 10 0 FCAELP [NH3+]CC[C@H](NC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)C(F)F ZINC000627099476 493087543 /nfs/dbraw/zinc/08/75/43/493087543.db2.gz RWVMRRDEJDVGDR-KBPBESRZSA-N 2 2 357.405 0.564 10 0 FCAELP Cc1[nH+]ccn1CCCNC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000632891986 493095189 /nfs/dbraw/zinc/09/51/89/493095189.db2.gz QSOMVPFZEXQKHQ-UHFFFAOYSA-N 2 2 357.462 0.942 10 0 FCAELP [NH3+]CC1(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCCCC1 ZINC000632917573 493097111 /nfs/dbraw/zinc/09/71/11/493097111.db2.gz KMWZNYSPHFXNFW-UHFFFAOYSA-N 2 2 350.467 0.998 10 0 FCAELP C[NH2+]CCOCCNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000627170713 493099696 /nfs/dbraw/zinc/09/96/96/493099696.db2.gz FQNPMDMKAAEWSD-MSOLQXFVSA-N 2 2 362.474 0.517 10 0 FCAELP C[NH2+]CCOCCNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000627170713 493099699 /nfs/dbraw/zinc/09/96/99/493099699.db2.gz FQNPMDMKAAEWSD-MSOLQXFVSA-N 2 2 362.474 0.517 10 0 FCAELP C[C@@H]1CC[C@@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)C[NH2+]1 ZINC000627195112 493106489 /nfs/dbraw/zinc/10/64/89/493106489.db2.gz JSFKJFPCRUDHRZ-IXDOHACOSA-N 2 2 365.522 0.855 10 0 FCAELP [NH3+]CCCOCCNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000627218877 493108399 /nfs/dbraw/zinc/10/83/99/493108399.db2.gz KAIXVJNNDXVCNC-MSOLQXFVSA-N 2 2 362.474 0.647 10 0 FCAELP [NH3+]CCCOCCNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000627218877 493108403 /nfs/dbraw/zinc/10/84/03/493108403.db2.gz KAIXVJNNDXVCNC-MSOLQXFVSA-N 2 2 362.474 0.647 10 0 FCAELP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NC[C@@H]1C[N@H+](Cc3ccncc3)CCO1)C2 ZINC000627224796 493109579 /nfs/dbraw/zinc/10/95/79/493109579.db2.gz OZXDNCPKMLYUJA-RLLQIKCJSA-N 2 2 373.501 0.923 10 0 FCAELP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NC[C@@H]1C[N@@H+](Cc3ccncc3)CCO1)C2 ZINC000627224796 493109589 /nfs/dbraw/zinc/10/95/89/493109589.db2.gz OZXDNCPKMLYUJA-RLLQIKCJSA-N 2 2 373.501 0.923 10 0 FCAELP C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)C[C@@H]1C[NH3+] ZINC000627225400 493110490 /nfs/dbraw/zinc/11/04/90/493110490.db2.gz XCZZHJQHVHITFE-BPQIPLTHSA-N 2 2 361.490 0.909 10 0 FCAELP C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)C[C@@H]1C[NH3+] ZINC000627225400 493110495 /nfs/dbraw/zinc/11/04/95/493110495.db2.gz XCZZHJQHVHITFE-BPQIPLTHSA-N 2 2 361.490 0.909 10 0 FCAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000627237990 493115194 /nfs/dbraw/zinc/11/51/94/493115194.db2.gz XSDBGAGUQITQMX-OWCLPIDISA-N 2 2 351.495 0.465 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000627297488 493140560 /nfs/dbraw/zinc/14/05/60/493140560.db2.gz KXSJWUZWDYQJQD-KCPJHIHWSA-N 2 2 368.840 0.819 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000627297488 493140562 /nfs/dbraw/zinc/14/05/62/493140562.db2.gz KXSJWUZWDYQJQD-KCPJHIHWSA-N 2 2 368.840 0.819 10 0 FCAELP C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C[NH2+]1 ZINC000627312755 493146817 /nfs/dbraw/zinc/14/68/17/493146817.db2.gz HYTFGVUFHCDZEF-FXUDXRNXSA-N 2 2 352.479 0.003 10 0 FCAELP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000633555919 493164245 /nfs/dbraw/zinc/16/42/45/493164245.db2.gz RCTDXTLXZDDIDQ-HNNXBMFYSA-N 2 2 355.442 0.993 10 0 FCAELP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000627378610 493188121 /nfs/dbraw/zinc/18/81/21/493188121.db2.gz QFDKSUTTZOFTKA-MRXNPFEDSA-N 2 2 359.474 0.623 10 0 FCAELP Cc1cc(NCCNC(=O)C(=O)NCCC2=CC[NH2+]CC2)nc(C(C)C)[nH+]1 ZINC000627419813 493209724 /nfs/dbraw/zinc/20/97/24/493209724.db2.gz MVFGJWCGLPKWEE-UHFFFAOYSA-N 2 2 374.489 0.863 10 0 FCAELP O=C(NCC12CC(C1)C[NH2+]2)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000659619912 493221610 /nfs/dbraw/zinc/22/16/10/493221610.db2.gz DTKFRCBXPUXIPG-UHFFFAOYSA-N 2 2 354.458 0.914 10 0 FCAELP COCCCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659621800 493221854 /nfs/dbraw/zinc/22/18/54/493221854.db2.gz BCZHZURAOJSITQ-HZPDHXFCSA-N 2 2 371.526 0.228 10 0 FCAELP Cc1ccc(CN(C)C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000672640059 493224078 /nfs/dbraw/zinc/22/40/78/493224078.db2.gz HJCQJRKPENMSCK-HNNXBMFYSA-N 2 2 362.474 0.831 10 0 FCAELP Cc1ccc(CN(C)C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000672640059 493224082 /nfs/dbraw/zinc/22/40/82/493224082.db2.gz HJCQJRKPENMSCK-HNNXBMFYSA-N 2 2 362.474 0.831 10 0 FCAELP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000672697623 493235628 /nfs/dbraw/zinc/23/56/28/493235628.db2.gz ZUSDGDGNNCZPED-MRXNPFEDSA-N 2 2 374.489 0.424 10 0 FCAELP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000672697608 493235687 /nfs/dbraw/zinc/23/56/87/493235687.db2.gz ZUSDGDGNNCZPED-INIZCTEOSA-N 2 2 374.489 0.424 10 0 FCAELP Cn1cc(-c2ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)nn2)cn1 ZINC000666944210 493240554 /nfs/dbraw/zinc/24/05/54/493240554.db2.gz VJSGZSOPWCDHQF-UHFFFAOYSA-N 2 2 360.466 0.882 10 0 FCAELP Cn1cc(-c2ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)nn2)cn1 ZINC000666944210 493240557 /nfs/dbraw/zinc/24/05/57/493240557.db2.gz VJSGZSOPWCDHQF-UHFFFAOYSA-N 2 2 360.466 0.882 10 0 FCAELP CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c[nH+]1 ZINC000659689709 493255216 /nfs/dbraw/zinc/25/52/16/493255216.db2.gz IHDUPJJHDYNUOY-ZIAGYGMSSA-N 2 2 351.426 0.442 10 0 FCAELP O=C(N[C@H]1CCn2cc[nH+]c2C1)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659695639 493257501 /nfs/dbraw/zinc/25/75/01/493257501.db2.gz DKBCFKLFNXPPJJ-CVEARBPZSA-N 2 2 359.474 0.552 10 0 FCAELP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000667148721 493262331 /nfs/dbraw/zinc/26/23/31/493262331.db2.gz QSWOETWHXFLSIW-INIZCTEOSA-N 2 2 369.429 0.695 10 0 FCAELP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659741731 493281547 /nfs/dbraw/zinc/28/15/47/493281547.db2.gz NWSWFGWEPTWTKW-UHFFFAOYSA-N 2 2 359.352 0.272 10 0 FCAELP CN(C(=O)C(=O)NCC[C@@H]1CCOC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673114743 493291062 /nfs/dbraw/zinc/29/10/62/493291062.db2.gz QIUZMKFYDUDIHQ-NVXWUHKLSA-N 2 2 366.506 0.156 10 0 FCAELP CN(C(=O)C(=O)NCC[C@@H]1CCOC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673114743 493291064 /nfs/dbraw/zinc/29/10/64/493291064.db2.gz QIUZMKFYDUDIHQ-NVXWUHKLSA-N 2 2 366.506 0.156 10 0 FCAELP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCN2C(=O)CN(C)C2=O)CC1 ZINC000659862903 493296133 /nfs/dbraw/zinc/29/61/33/493296133.db2.gz FDCUMSYYUBKSJL-IYBDPMFKSA-N 2 2 351.495 0.371 10 0 FCAELP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCN2C(=O)CN(C)C2=O)CC1 ZINC000659862903 493296137 /nfs/dbraw/zinc/29/61/37/493296137.db2.gz FDCUMSYYUBKSJL-IYBDPMFKSA-N 2 2 351.495 0.371 10 0 FCAELP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000660071711 493321577 /nfs/dbraw/zinc/32/15/77/493321577.db2.gz MHNWGFDDOCWIKF-SFHVURJKSA-N 3 2 354.539 0.564 10 0 FCAELP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000660071711 493321579 /nfs/dbraw/zinc/32/15/79/493321579.db2.gz MHNWGFDDOCWIKF-SFHVURJKSA-N 3 2 354.539 0.564 10 0 FCAELP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCOC2(C[NH2+]C2)C1 ZINC000668608587 493383052 /nfs/dbraw/zinc/38/30/52/493383052.db2.gz YVSPCOUPWHGTPQ-KRWDZBQOSA-N 2 2 360.458 0.271 10 0 FCAELP COc1ccc2ncc(C(=O)N(C)[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)n2n1 ZINC000668616947 493384944 /nfs/dbraw/zinc/38/49/44/493384944.db2.gz HYGMNPYURXHIRB-OAHLLOKOSA-N 2 2 372.473 0.978 10 0 FCAELP COc1ccc2ncc(C(=O)N(C)[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)n2n1 ZINC000668616947 493384946 /nfs/dbraw/zinc/38/49/46/493384946.db2.gz HYGMNPYURXHIRB-OAHLLOKOSA-N 2 2 372.473 0.978 10 0 FCAELP COc1ccc2ncc(C(=O)N(C)[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)n2n1 ZINC000668616946 493385233 /nfs/dbraw/zinc/38/52/33/493385233.db2.gz HYGMNPYURXHIRB-HNNXBMFYSA-N 2 2 372.473 0.978 10 0 FCAELP COc1ccc2ncc(C(=O)N(C)[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)n2n1 ZINC000668616946 493385236 /nfs/dbraw/zinc/38/52/36/493385236.db2.gz HYGMNPYURXHIRB-HNNXBMFYSA-N 2 2 372.473 0.978 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000684070639 493392197 /nfs/dbraw/zinc/39/21/97/493392197.db2.gz SCUUZSMHHYSFOT-MRXNPFEDSA-N 2 2 361.490 0.626 10 0 FCAELP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CCO1 ZINC000668784280 493409820 /nfs/dbraw/zinc/40/98/20/493409820.db2.gz AMVJRYUAMAVWLT-GOSISDBHSA-N 3 2 362.522 0.771 10 0 FCAELP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CCO1 ZINC000668784280 493409822 /nfs/dbraw/zinc/40/98/22/493409822.db2.gz AMVJRYUAMAVWLT-GOSISDBHSA-N 3 2 362.522 0.771 10 0 FCAELP C[C@@H](NC(=O)NCC(=O)NCC[NH+]1CCCCCC1)c1[nH+]ccn1C ZINC000661231293 493420416 /nfs/dbraw/zinc/42/04/16/493420416.db2.gz LKTZNLOWUFUICB-CQSZACIVSA-N 2 2 350.467 0.773 10 0 FCAELP C[C@@H](CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000661360875 493430129 /nfs/dbraw/zinc/43/01/29/493430129.db2.gz ILSISYSTYSDTSC-NXOAAHMSSA-N 2 2 354.495 0.600 10 0 FCAELP C[C@@H](CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000661360875 493430131 /nfs/dbraw/zinc/43/01/31/493430131.db2.gz ILSISYSTYSDTSC-NXOAAHMSSA-N 2 2 354.495 0.600 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H](CCF)C3)C2)CC1 ZINC000668910579 493435583 /nfs/dbraw/zinc/43/55/83/493435583.db2.gz KCJFLXCLRQAIQK-JKSUJKDBSA-N 2 2 368.497 0.869 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H](CCF)C3)C2)CC1 ZINC000668910579 493435586 /nfs/dbraw/zinc/43/55/86/493435586.db2.gz KCJFLXCLRQAIQK-JKSUJKDBSA-N 2 2 368.497 0.869 10 0 FCAELP C[NH+]1CCN(c2cc(CNC(=O)N3CC[NH2+]C[C@@](C)(F)C3)ccn2)CC1 ZINC000669156639 493469275 /nfs/dbraw/zinc/46/92/75/493469275.db2.gz JRSNHEHZFBHRLZ-GOSISDBHSA-N 2 2 364.469 0.676 10 0 FCAELP O[C@H](COc1ccc2c(c1)OCO2)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662159312 493494110 /nfs/dbraw/zinc/49/41/10/493494110.db2.gz XPJKKAIWAGSBNO-HOTGVXAUSA-N 2 2 364.442 0.686 10 0 FCAELP O[C@H](COc1ccc2c(c1)OCO2)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662159312 493494114 /nfs/dbraw/zinc/49/41/14/493494114.db2.gz XPJKKAIWAGSBNO-HOTGVXAUSA-N 2 2 364.442 0.686 10 0 FCAELP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662322419 493506340 /nfs/dbraw/zinc/50/63/40/493506340.db2.gz LXBQJQDDSAHIMZ-ZBFHGGJFSA-N 2 2 354.495 0.141 10 0 FCAELP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662322419 493506343 /nfs/dbraw/zinc/50/63/43/493506343.db2.gz LXBQJQDDSAHIMZ-ZBFHGGJFSA-N 2 2 354.495 0.141 10 0 FCAELP C[N@@H+]1CCN(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)[C@H](C[NH3+])C1 ZINC000669526058 493508869 /nfs/dbraw/zinc/50/88/69/493508869.db2.gz UBSKCSFWSZISDJ-CHWSQXEVSA-N 2 2 353.417 0.828 10 0 FCAELP C[N@H+]1CCN(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)[C@H](C[NH3+])C1 ZINC000669526058 493508871 /nfs/dbraw/zinc/50/88/71/493508871.db2.gz UBSKCSFWSZISDJ-CHWSQXEVSA-N 2 2 353.417 0.828 10 0 FCAELP C[N@@H+]1CCN(C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)[C@H](C[NH3+])C1 ZINC000669528960 493509067 /nfs/dbraw/zinc/50/90/67/493509067.db2.gz XVFITGQJWZUBJG-CHWSQXEVSA-N 2 2 352.870 0.598 10 0 FCAELP C[N@H+]1CCN(C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)[C@H](C[NH3+])C1 ZINC000669528960 493509069 /nfs/dbraw/zinc/50/90/69/493509069.db2.gz XVFITGQJWZUBJG-CHWSQXEVSA-N 2 2 352.870 0.598 10 0 FCAELP C[N@@H+]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)[C@@H](C[NH3+])C1 ZINC000669569648 493511518 /nfs/dbraw/zinc/51/15/18/493511518.db2.gz DPJGQIRBDQPQNO-HOTGVXAUSA-N 2 2 363.437 0.211 10 0 FCAELP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CC[NH+](CCO)CC1 ZINC000662516516 493523049 /nfs/dbraw/zinc/52/30/49/493523049.db2.gz IHZQVAKQYVGWGX-UHFFFAOYSA-N 2 2 360.277 0.864 10 0 FCAELP O=C(CCNC(=O)C1([NH2+]C2CC2)CCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000662704292 493533139 /nfs/dbraw/zinc/53/31/39/493533139.db2.gz YVNGYKYDVYKDLS-UHFFFAOYSA-N 2 2 371.485 0.911 10 0 FCAELP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662876316 493548657 /nfs/dbraw/zinc/54/86/57/493548657.db2.gz USZHXNHJHPNYEC-UHFFFAOYSA-N 2 2 351.472 0.585 10 0 FCAELP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662937506 493556925 /nfs/dbraw/zinc/55/69/25/493556925.db2.gz QGCAGRJXXXGJLJ-TZGCNFNXSA-N 2 2 357.458 0.237 10 0 FCAELP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000662945235 493558675 /nfs/dbraw/zinc/55/86/75/493558675.db2.gz JYUPAFOJZBEOCC-RDYUPDBUSA-N 2 2 371.485 0.875 10 0 FCAELP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662960994 493561410 /nfs/dbraw/zinc/56/14/10/493561410.db2.gz QBXDVYZFBDJVHU-WMZOPIPTSA-N 2 2 372.469 0.004 10 0 FCAELP CN(C1CC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1)S(C)(=O)=O ZINC000676631827 493563909 /nfs/dbraw/zinc/56/39/09/493563909.db2.gz GJQRHSILXFRUON-SFHVURJKSA-N 2 2 369.531 0.835 10 0 FCAELP CN(C1CC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1)S(C)(=O)=O ZINC000676631827 493563911 /nfs/dbraw/zinc/56/39/11/493563911.db2.gz GJQRHSILXFRUON-SFHVURJKSA-N 2 2 369.531 0.835 10 0 FCAELP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cn1 ZINC000677082393 493584490 /nfs/dbraw/zinc/58/44/90/493584490.db2.gz AJXGJBFXZOPHRF-CQSZACIVSA-N 2 2 371.445 0.173 10 0 FCAELP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000670678932 493587834 /nfs/dbraw/zinc/58/78/34/493587834.db2.gz RLHPSQMDGYDSTM-SFHVURJKSA-N 2 2 374.485 0.345 10 0 FCAELP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000670678932 493587837 /nfs/dbraw/zinc/58/78/37/493587837.db2.gz RLHPSQMDGYDSTM-SFHVURJKSA-N 2 2 374.485 0.345 10 0 FCAELP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000670732252 493592632 /nfs/dbraw/zinc/59/26/32/493592632.db2.gz KIFGMYIOKUADQG-CVEARBPZSA-N 2 2 373.432 0.975 10 0 FCAELP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000670732252 493592634 /nfs/dbraw/zinc/59/26/34/493592634.db2.gz KIFGMYIOKUADQG-CVEARBPZSA-N 2 2 373.432 0.975 10 0 FCAELP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1)c1ccccc1F ZINC000670736745 493593212 /nfs/dbraw/zinc/59/32/12/493593212.db2.gz KWZCWPCFSSIOMF-BBRMVZONSA-N 2 2 373.432 0.975 10 0 FCAELP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1)c1ccccc1F ZINC000670736745 493593214 /nfs/dbraw/zinc/59/32/14/493593214.db2.gz KWZCWPCFSSIOMF-BBRMVZONSA-N 2 2 373.432 0.975 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1nncn1-c1ccccc1 ZINC000663685420 493612178 /nfs/dbraw/zinc/61/21/78/493612178.db2.gz BDKDPUBNCRPSHS-UHFFFAOYSA-N 2 2 359.478 0.950 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1nncn1-c1ccccc1 ZINC000663685420 493612179 /nfs/dbraw/zinc/61/21/79/493612179.db2.gz BDKDPUBNCRPSHS-UHFFFAOYSA-N 2 2 359.478 0.950 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1cccc(S(N)(=O)=O)c1 ZINC000663703024 493613465 /nfs/dbraw/zinc/61/34/65/493613465.db2.gz GIAJNFDGHRQDAQ-UHFFFAOYSA-N 2 2 371.507 0.017 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1cccc(S(N)(=O)=O)c1 ZINC000663703024 493613468 /nfs/dbraw/zinc/61/34/68/493613468.db2.gz GIAJNFDGHRQDAQ-UHFFFAOYSA-N 2 2 371.507 0.017 10 0 FCAELP O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000671032304 493624700 /nfs/dbraw/zinc/62/47/00/493624700.db2.gz LJXJQTCXVBZTQY-MRXNPFEDSA-N 2 2 363.462 0.275 10 0 FCAELP C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000663993074 493628728 /nfs/dbraw/zinc/62/87/28/493628728.db2.gz GQVXIXAVGQJNOC-GVDBMIGSSA-N 2 2 366.506 0.650 10 0 FCAELP C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000663993074 493628730 /nfs/dbraw/zinc/62/87/30/493628730.db2.gz GQVXIXAVGQJNOC-GVDBMIGSSA-N 2 2 366.506 0.650 10 0 FCAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CC(=O)N2CCOC[C@H]2C2CC2)CC1 ZINC000677985154 493629457 /nfs/dbraw/zinc/62/94/57/493629457.db2.gz ZOXUFLBFGCFNFW-OALUTQOASA-N 2 2 364.534 0.726 10 0 FCAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CC(=O)N2CCOC[C@H]2C2CC2)CC1 ZINC000677985154 493629460 /nfs/dbraw/zinc/62/94/60/493629460.db2.gz ZOXUFLBFGCFNFW-OALUTQOASA-N 2 2 364.534 0.726 10 0 FCAELP CO[C@]1(CO)CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000664130659 493638105 /nfs/dbraw/zinc/63/81/05/493638105.db2.gz QBNZZPBRKNUGSK-CRAIPNDOSA-N 2 2 354.495 0.338 10 0 FCAELP CO[C@]1(CO)CCCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000664130659 493638109 /nfs/dbraw/zinc/63/81/09/493638109.db2.gz QBNZZPBRKNUGSK-CRAIPNDOSA-N 2 2 354.495 0.338 10 0 FCAELP CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000664131278 493638966 /nfs/dbraw/zinc/63/89/66/493638966.db2.gz VQCUYQSIQLECJT-HOTGVXAUSA-N 2 2 355.527 0.816 10 0 FCAELP CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000664131278 493638969 /nfs/dbraw/zinc/63/89/69/493638969.db2.gz VQCUYQSIQLECJT-HOTGVXAUSA-N 2 2 355.527 0.816 10 0 FCAELP CN(C[C@H]1COCCO1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000664232614 493646266 /nfs/dbraw/zinc/64/62/66/493646266.db2.gz 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Cn1nccc1[C@H]1C[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000665047636 493696732 /nfs/dbraw/zinc/69/67/32/493696732.db2.gz FJUIWSACQFSRRN-DOTOQJQBSA-N 2 2 366.510 0.823 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3(N4CCOCC4)CCC3)C2)CC1 ZINC000679887483 493699198 /nfs/dbraw/zinc/69/91/98/493699198.db2.gz LUWBRZTZCIAXIE-MRXNPFEDSA-N 2 2 350.507 0.526 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3(N4CCOCC4)CCC3)C2)CC1 ZINC000679887483 493699199 /nfs/dbraw/zinc/69/91/99/493699199.db2.gz LUWBRZTZCIAXIE-MRXNPFEDSA-N 2 2 350.507 0.526 10 0 FCAELP CN(C(=O)C(=O)NCc1cscn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671955022 493717413 /nfs/dbraw/zinc/71/74/13/493717413.db2.gz AABWKAXYDIVJFY-HNNXBMFYSA-N 2 2 365.503 0.386 10 0 FCAELP CN(C(=O)C(=O)NCc1cscn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671955022 493717416 /nfs/dbraw/zinc/71/74/16/493717416.db2.gz AABWKAXYDIVJFY-HNNXBMFYSA-N 2 2 365.503 0.386 10 0 FCAELP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCn3cc(C)[nH+]c3C2)CC1 ZINC000672166194 493740078 /nfs/dbraw/zinc/74/00/78/493740078.db2.gz DAQTUFXVMXIARB-UHFFFAOYSA-N 2 2 363.462 0.151 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000665962609 493746930 /nfs/dbraw/zinc/74/69/30/493746930.db2.gz JPOCXAZKFQOEHN-UHFFFAOYSA-N 2 2 364.429 0.806 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000665962609 493746933 /nfs/dbraw/zinc/74/69/33/493746933.db2.gz JPOCXAZKFQOEHN-UHFFFAOYSA-N 2 2 364.429 0.806 10 0 FCAELP CN(C)C(=O)c1cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)ccn1 ZINC000666123883 493758701 /nfs/dbraw/zinc/75/87/01/493758701.db2.gz VXGNPZIZIHHHDI-UHFFFAOYSA-N 2 2 350.467 0.788 10 0 FCAELP CN(C)C(=O)c1cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccn1 ZINC000666123883 493758703 /nfs/dbraw/zinc/75/87/03/493758703.db2.gz VXGNPZIZIHHHDI-UHFFFAOYSA-N 2 2 350.467 0.788 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N(C)CCCn2cc[nH+]c2)CC1 ZINC000410864379 534423595 /nfs/dbraw/zinc/42/35/95/534423595.db2.gz RXBVKVAGJVSUSD-UHFFFAOYSA-N 2 2 370.457 0.784 10 0 FCAELP CC(C)[C@H](CNC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C)[NH+]1CCOCC1 ZINC000419411131 534999775 /nfs/dbraw/zinc/99/97/75/534999775.db2.gz PMQDUGNDAWQKJX-ZACQAIPSSA-N 2 2 356.511 0.440 10 0 FCAELP CC(C)[C@H](CNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C)[NH+]1CCOCC1 ZINC000419411131 534999781 /nfs/dbraw/zinc/99/97/81/534999781.db2.gz PMQDUGNDAWQKJX-ZACQAIPSSA-N 2 2 356.511 0.440 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H](n3ccnn3)C2)C1 ZINC000425498839 535117483 /nfs/dbraw/zinc/11/74/83/535117483.db2.gz HLENOJFZDWDNNH-DLBZAZTESA-N 2 2 364.494 0.388 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H](n3ccnn3)C2)C1 ZINC000425498839 535117489 /nfs/dbraw/zinc/11/74/89/535117489.db2.gz HLENOJFZDWDNNH-DLBZAZTESA-N 2 2 364.494 0.388 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@H](n3ccnn3)C2)C1 ZINC000425498839 535117497 /nfs/dbraw/zinc/11/74/97/535117497.db2.gz HLENOJFZDWDNNH-DLBZAZTESA-N 2 2 364.494 0.388 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@H](n3ccnn3)C2)C1 ZINC000425498839 535117505 /nfs/dbraw/zinc/11/75/05/535117505.db2.gz HLENOJFZDWDNNH-DLBZAZTESA-N 2 2 364.494 0.388 10 0 FCAELP C[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C1CCN(S(C)(=O)=O)CC1 ZINC000125173461 546539271 /nfs/dbraw/zinc/53/92/71/546539271.db2.gz LUMNSTQLFWOUGJ-SFHVURJKSA-N 2 2 369.531 0.835 10 0 FCAELP C[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)C1CCN(S(C)(=O)=O)CC1 ZINC000125173461 546539278 /nfs/dbraw/zinc/53/92/78/546539278.db2.gz LUMNSTQLFWOUGJ-SFHVURJKSA-N 2 2 369.531 0.835 10 0 FCAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000125173461 546539281 /nfs/dbraw/zinc/53/92/81/546539281.db2.gz LUMNSTQLFWOUGJ-SFHVURJKSA-N 2 2 369.531 0.835 10 0 FCAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000125173461 546539287 /nfs/dbraw/zinc/53/92/87/546539287.db2.gz LUMNSTQLFWOUGJ-SFHVURJKSA-N 2 2 369.531 0.835 10 0 FCAELP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)N(C)CC[NH2+]C)CC2)s1 ZINC000423242687 546577491 /nfs/dbraw/zinc/57/74/91/546577491.db2.gz FPSUVTLUDGWFNM-UHFFFAOYSA-N 2 2 352.504 0.633 10 0 FCAELP COC(=O)c1cccc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)c1C ZINC000594820791 546835134 /nfs/dbraw/zinc/83/51/34/546835134.db2.gz HHGURCMWIXVOOS-UHFFFAOYSA-N 2 2 371.503 0.943 10 0 FCAELP COC(=O)c1cccc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1C ZINC000594820791 546835141 /nfs/dbraw/zinc/83/51/41/546835141.db2.gz HHGURCMWIXVOOS-UHFFFAOYSA-N 2 2 371.503 0.943 10 0 FCAELP CC(C)C[NH+]1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000550780488 547103808 /nfs/dbraw/zinc/10/38/08/547103808.db2.gz GUWSQFGGMIRYGK-UHFFFAOYSA-N 2 2 354.495 0.015 10 0 FCAELP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000552191650 547194090 /nfs/dbraw/zinc/19/40/90/547194090.db2.gz NHWCZHVLSMTYOC-HZPDHXFCSA-N 2 2 354.495 0.156 10 0 FCAELP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000552191649 547194124 /nfs/dbraw/zinc/19/41/24/547194124.db2.gz NHWCZHVLSMTYOC-HOTGVXAUSA-N 2 2 354.495 0.156 10 0 FCAELP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566738493 547316522 /nfs/dbraw/zinc/31/65/22/547316522.db2.gz WTZYLCAWZJHWDX-SUMWQHHRSA-N 2 2 366.487 0.737 10 0 FCAELP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566738493 547316528 /nfs/dbraw/zinc/31/65/28/547316528.db2.gz WTZYLCAWZJHWDX-SUMWQHHRSA-N 2 2 366.487 0.737 10 0 FCAELP CN(C(=O)C1C[NH+]([C@@H]2CCOC2)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000896990078 665139552 /nfs/dbraw/zinc/13/95/52/665139552.db2.gz ZLJPTVQRELOUTG-QZTJIDSGSA-N 3 2 350.507 0.334 10 0 FCAELP CN(C(=O)C1C[NH+]([C@@H]2CCOC2)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000896990078 665139553 /nfs/dbraw/zinc/13/95/53/665139553.db2.gz ZLJPTVQRELOUTG-QZTJIDSGSA-N 3 2 350.507 0.334 10 0 FCAELP CC1(C)CN(C(=O)N[C@H]2CCC[NH+]3CCSC[C@@H]23)CC[N@@H+]1CCO ZINC000925163086 665175678 /nfs/dbraw/zinc/17/56/78/665175678.db2.gz ZVNGILYBNIYUCQ-GJZGRUSLSA-N 2 2 356.536 0.664 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925165187 665176156 /nfs/dbraw/zinc/17/61/56/665176156.db2.gz YLNKSLMMWLDRQU-PMPSAXMXSA-N 2 2 356.536 0.928 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000925165187 665176158 /nfs/dbraw/zinc/17/61/58/665176158.db2.gz YLNKSLMMWLDRQU-PMPSAXMXSA-N 2 2 356.536 0.928 10 0 FCAELP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1CC)c1ccco1 ZINC000897535147 665312314 /nfs/dbraw/zinc/31/23/14/665312314.db2.gz AHCDWBSSOKCDCT-HUUCEWRRSA-N 2 2 350.463 0.989 10 0 FCAELP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+]1CC)c1ccco1 ZINC000897535147 665312317 /nfs/dbraw/zinc/31/23/17/665312317.db2.gz AHCDWBSSOKCDCT-HUUCEWRRSA-N 2 2 350.463 0.989 10 0 FCAELP O=S(=O)(CCC[NH+]1CCOCC1)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000905359963 666019150 /nfs/dbraw/zinc/01/91/50/666019150.db2.gz PEUVWXXJNKJPSO-INIZCTEOSA-N 2 2 359.536 0.941 10 0 FCAELP COC(=O)C[C@@H]1C[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C[C@H]1C ZINC000905711246 666035697 /nfs/dbraw/zinc/03/56/97/666035697.db2.gz CTKZRGWAJQJRGN-HBUWYVDXSA-N 2 2 351.447 0.992 10 0 FCAELP C/C(=C/C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)C[NH+]1CCOCC1 ZINC000907457713 666133259 /nfs/dbraw/zinc/13/32/59/666133259.db2.gz TXNYEHWZGFDMSI-ICFOKQHNSA-N 2 2 352.523 0.797 10 0 FCAELP CC(C)[NH+]1CCN(CCCC(=O)N2CC(C[NH+]3CCOCC3)C2)CC1 ZINC000908335160 666201357 /nfs/dbraw/zinc/20/13/57/666201357.db2.gz SDXXNMPSEFDKHS-UHFFFAOYSA-N 2 2 352.523 0.583 10 0 FCAELP CC[NH+](CC)[C@H](C)CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000069401725 666508945 /nfs/dbraw/zinc/50/89/45/666508945.db2.gz VNZDPWRDLCIHKI-CQSZACIVSA-N 2 2 362.540 0.525 10 0 FCAELP CCO[C@H](CNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)C[NH+](C)C ZINC000914327957 666741296 /nfs/dbraw/zinc/74/12/96/666741296.db2.gz CFVJUCDEAOEUDB-NVXWUHKLSA-N 2 2 374.551 0.460 10 0 FCAELP COC(=O)/C(C)=C\CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000915493477 666872442 /nfs/dbraw/zinc/87/24/42/666872442.db2.gz UYXXHNHCYMAHOO-CPSFFCFKSA-N 2 2 352.479 0.964 10 0 FCAELP C[C@H](CNS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000916801616 667029506 /nfs/dbraw/zinc/02/95/06/667029506.db2.gz SMKLSWOYGFQDFG-NCOADZHNSA-N 2 2 359.536 0.889 10 0 FCAELP C[C@H](CNS(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000916801616 667029508 /nfs/dbraw/zinc/02/95/08/667029508.db2.gz SMKLSWOYGFQDFG-NCOADZHNSA-N 2 2 359.536 0.889 10 0 FCAELP C[C@H](CNS(=O)(=O)C[C@@]12CC[NH+](C1)CCC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000916801616 667029512 /nfs/dbraw/zinc/02/95/12/667029512.db2.gz SMKLSWOYGFQDFG-NCOADZHNSA-N 2 2 359.536 0.889 10 0 FCAELP O=S(=O)(C[C@@]12CC[N@@H+](C1)CCC2)N1CCC([NH+]2CCOCC2)CC1 ZINC000918254476 667107872 /nfs/dbraw/zinc/10/78/72/667107872.db2.gz CGAXRWZTQWOXLF-KRWDZBQOSA-N 2 2 357.520 0.599 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCOC3CCOCC3)C2)CC1 ZINC000918907181 667140288 /nfs/dbraw/zinc/14/02/88/667140288.db2.gz VWIHBIQLJWAHHL-OAHLLOKOSA-N 2 2 354.495 0.650 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCOC3CCOCC3)C2)CC1 ZINC000918907181 667140291 /nfs/dbraw/zinc/14/02/91/667140291.db2.gz VWIHBIQLJWAHHL-OAHLLOKOSA-N 2 2 354.495 0.650 10 0 FCAELP C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)c2cccc3c2CC[N@H+](C)C3)C1 ZINC000918963900 667144659 /nfs/dbraw/zinc/14/46/59/667144659.db2.gz WTIZQXRBMKRLKD-SFHVURJKSA-N 2 2 367.515 0.752 10 0 FCAELP C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)C1 ZINC000918963900 667144661 /nfs/dbraw/zinc/14/46/61/667144661.db2.gz WTIZQXRBMKRLKD-SFHVURJKSA-N 2 2 367.515 0.752 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=S)NCCN1CCOCC1 ZINC000920995294 667262370 /nfs/dbraw/zinc/26/23/70/667262370.db2.gz KNNJXJQOLQUFOB-UHFFFAOYSA-N 2 2 357.568 0.151 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=S)NCCN1CCOCC1 ZINC000920995294 667262372 /nfs/dbraw/zinc/26/23/72/667262372.db2.gz KNNJXJQOLQUFOB-UHFFFAOYSA-N 2 2 357.568 0.151 10 0 FCAELP O=C1C[C@H]([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CN1CC[NH+]1CCOCC1 ZINC000921759348 667476221 /nfs/dbraw/zinc/47/62/21/667476221.db2.gz RJOGLYGTJZMCDW-XDNAFOTISA-N 2 2 351.491 0.714 10 0 FCAELP CN(C[C@@H](O)C[NH+]1CCC([N@H+](C)CCCO)CC1)C(=O)OC(C)(C)C ZINC000822620824 669281483 /nfs/dbraw/zinc/28/14/83/669281483.db2.gz BURCEPHWXVUQNP-MRXNPFEDSA-N 2 2 359.511 0.993 10 0 FCAELP CN(C[C@@H](O)C[NH+]1CCC([N@@H+](C)CCCO)CC1)C(=O)OC(C)(C)C ZINC000822620824 669281485 /nfs/dbraw/zinc/28/14/85/669281485.db2.gz BURCEPHWXVUQNP-MRXNPFEDSA-N 2 2 359.511 0.993 10 0 FCAELP C[C@H]1CN(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C(=O)[C@@H]1C ZINC000839991906 669344909 /nfs/dbraw/zinc/34/49/09/669344909.db2.gz GRDFMUANTUABIK-JKSUJKDBSA-N 2 2 350.507 0.934 10 0 FCAELP C[NH+](C)[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C12CCC2 ZINC000825518620 669457723 /nfs/dbraw/zinc/45/77/23/669457723.db2.gz BXOQWPYYDBVHJV-QZWWFDLISA-N 2 2 351.491 0.855 10 0 FCAELP CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC000843363351 670807612 /nfs/dbraw/zinc/80/76/12/670807612.db2.gz 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0.329 10 0 FCAELP COc1cccc(C)c1NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000850595784 671388815 /nfs/dbraw/zinc/38/88/15/671388815.db2.gz FHEVQRYDDNWAMZ-UHFFFAOYSA-N 2 2 350.463 0.942 10 0 FCAELP COc1cccc(C)c1NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000850595784 671388820 /nfs/dbraw/zinc/38/88/20/671388820.db2.gz FHEVQRYDDNWAMZ-UHFFFAOYSA-N 2 2 350.463 0.942 10 0 FCAELP [NH3+]C[C@@H]1CC(C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)=NO1 ZINC000852855844 671527775 /nfs/dbraw/zinc/52/77/75/671527775.db2.gz PKEVRRWWRSUFJW-HNNXBMFYSA-N 2 2 366.849 0.967 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC000854005108 671563621 /nfs/dbraw/zinc/56/36/21/671563621.db2.gz MRDLLTXIJUJORO-UHFFFAOYSA-N 2 2 351.377 0.506 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC000854005108 671563622 /nfs/dbraw/zinc/56/36/22/671563622.db2.gz MRDLLTXIJUJORO-UHFFFAOYSA-N 2 2 351.377 0.506 10 0 FCAELP Cc1ncc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)n1C ZINC000903562892 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CC(C)[N@H+]1CCC[C@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001136949070 1203304345 /nfs/dbraw/zinc/30/43/45/1203304345.db2.gz JSFVUIHBCCETAR-DLBZAZTESA-N 2 2 366.506 0.156 10 0 FCAELP CN(C(=O)c1cn(C(F)(F)CO)nn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001145066338 1204678210 /nfs/dbraw/zinc/67/82/10/1204678210.db2.gz QPBKZUCNBUDABD-CYBMUJFWSA-N 2 2 372.420 0.060 10 0 FCAELP CN(C(=O)c1cn(C(F)(F)CO)nn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001145066338 1204678214 /nfs/dbraw/zinc/67/82/14/1204678214.db2.gz QPBKZUCNBUDABD-CYBMUJFWSA-N 2 2 372.420 0.060 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CC(=O)NC(C)(C)CC ZINC001489108002 1208625800 /nfs/dbraw/zinc/62/58/00/1208625800.db2.gz MZIHXQZTXMUXMX-ARFHVFGLSA-N 2 2 368.522 0.591 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1CC(=O)NC(C)(C)CC ZINC001489108002 1208625804 /nfs/dbraw/zinc/62/58/04/1208625804.db2.gz MZIHXQZTXMUXMX-ARFHVFGLSA-N 2 2 368.522 0.591 10 0 FCAELP 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CC[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)ccn1 ZINC000856630374 1209720238 /nfs/dbraw/zinc/72/02/38/1209720238.db2.gz DUDPBJZEZPORDL-ROUUACIJSA-N 2 2 362.474 0.844 10 0 FCAELP CC[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)ccn1 ZINC000856630374 1209720247 /nfs/dbraw/zinc/72/02/47/1209720247.db2.gz DUDPBJZEZPORDL-ROUUACIJSA-N 2 2 362.474 0.844 10 0 FCAELP CC[NH+](C)Cc1cc(O[C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)ccn1 ZINC000856630374 1209720256 /nfs/dbraw/zinc/72/02/56/1209720256.db2.gz DUDPBJZEZPORDL-ROUUACIJSA-N 2 2 362.474 0.844 10 0 FCAELP CC[NH+](C)Cc1cc(O[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)ccn1 ZINC000856630374 1209720259 /nfs/dbraw/zinc/72/02/59/1209720259.db2.gz DUDPBJZEZPORDL-ROUUACIJSA-N 2 2 362.474 0.844 10 0 FCAELP COc1c(C)c[nH+]c(CNC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1C ZINC000861749608 1209879655 /nfs/dbraw/zinc/87/96/55/1209879655.db2.gz FBHILWHXDVCKGQ-KDURUIRLSA-N 2 2 360.458 0.781 10 0 FCAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000861764164 1209880508 /nfs/dbraw/zinc/88/05/08/1209880508.db2.gz MFUAPYCGFDPRNG-KBXCAEBGSA-N 2 2 373.501 0.704 10 0 FCAELP COc1ccccc1NC(=O)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863550056 1209945207 /nfs/dbraw/zinc/94/52/07/1209945207.db2.gz MXEIYPPJQPPCSV-WBVHZDCISA-N 2 2 374.441 0.891 10 0 FCAELP COc1cccc(NC(=O)C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1 ZINC000863551711 1209945282 /nfs/dbraw/zinc/94/52/82/1209945282.db2.gz PYQHEOIAUVWPMA-SJORKVTESA-N 2 2 374.441 0.891 10 0 FCAELP CO[C@@H]1CN2C(=O)N(C3CC[NH+](C4CC[NH+](C)CC4)CC3)C(=O)[C@@]2(C)C1 ZINC000865302716 1209975755 /nfs/dbraw/zinc/97/57/55/1209975755.db2.gz ZWSDSLSOMPYRSU-QFBILLFUSA-N 2 2 364.490 0.987 10 0 FCAELP C[NH+]1CCC(CNC(=O)/C=C/CN2CCOCC2)([NH+]2CCCCC2)CC1 ZINC000866116198 1209991305 /nfs/dbraw/zinc/99/13/05/1209991305.db2.gz JKALBZPWSYUSOD-AATRIKPKSA-N 2 2 364.534 0.941 10 0 FCAELP O=C(C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)NCc1ccc(F)cc1 ZINC000866710343 1210003860 /nfs/dbraw/zinc/00/38/60/1210003860.db2.gz YTYCHYVRPJIDGS-OAGGEKHMSA-N 2 2 362.405 0.309 10 0 FCAELP O=C(C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)NCc1ccc(F)cc1 ZINC000866710343 1210003865 /nfs/dbraw/zinc/00/38/65/1210003865.db2.gz YTYCHYVRPJIDGS-OAGGEKHMSA-N 2 2 362.405 0.309 10 0 FCAELP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+]([C@@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000866714105 1210005113 /nfs/dbraw/zinc/00/51/13/1210005113.db2.gz GEUPOXGZPADZDB-YYQUZTFQSA-N 2 2 374.416 0.798 10 0 FCAELP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+]([C@@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000866714105 1210005116 /nfs/dbraw/zinc/00/51/16/1210005116.db2.gz GEUPOXGZPADZDB-YYQUZTFQSA-N 2 2 374.416 0.798 10 0 FCAELP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000867510240 1210010053 /nfs/dbraw/zinc/01/00/53/1210010053.db2.gz IAQQLPBKQVVROS-DLBZAZTESA-N 2 2 366.506 0.108 10 0 FCAELP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000867510240 1210010056 /nfs/dbraw/zinc/01/00/56/1210010056.db2.gz IAQQLPBKQVVROS-DLBZAZTESA-N 2 2 366.506 0.108 10 0 FCAELP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000867573182 1210014956 /nfs/dbraw/zinc/01/49/56/1210014956.db2.gz XUUPFNNFUZXFDV-HOTGVXAUSA-N 2 2 366.506 0.108 10 0 FCAELP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000867573182 1210014961 /nfs/dbraw/zinc/01/49/61/1210014961.db2.gz XUUPFNNFUZXFDV-HOTGVXAUSA-N 2 2 366.506 0.108 10 0 FCAELP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867573182 1210014966 /nfs/dbraw/zinc/01/49/66/1210014966.db2.gz XUUPFNNFUZXFDV-HOTGVXAUSA-N 2 2 366.506 0.108 10 0 FCAELP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867573182 1210014968 /nfs/dbraw/zinc/01/49/68/1210014968.db2.gz XUUPFNNFUZXFDV-HOTGVXAUSA-N 2 2 366.506 0.108 10 0 FCAELP [NH3+][C@@H](C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1c(F)cccc1F ZINC000870997251 1210124797 /nfs/dbraw/zinc/12/47/97/1210124797.db2.gz LPOVRRIMPCKXAN-BYDSVVRCSA-N 2 2 366.368 0.358 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C/C[NH2+]CC(=O)Nc1ccon1 ZINC001274377018 1211040401 /nfs/dbraw/zinc/04/04/01/1211040401.db2.gz DCCKSZBQQJIAFT-XCUNLHGCSA-N 2 2 358.402 0.412 10 0 FCAELP C[C@H](C[NH2+]Cc1cn(CC2CC2)nn1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001274925894 1211145461 /nfs/dbraw/zinc/14/54/61/1211145461.db2.gz OPOOIIAUYXVMGX-DAXOMENPSA-N 2 2 357.462 0.820 10 0 FCAELP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926336841 1211534623 /nfs/dbraw/zinc/53/46/23/1211534623.db2.gz FROILLNNDWGCDF-UZLBHIALSA-N 2 2 374.485 0.032 10 0 FCAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926336841 1211534632 /nfs/dbraw/zinc/53/46/32/1211534632.db2.gz FROILLNNDWGCDF-UZLBHIALSA-N 2 2 374.485 0.032 10 0 FCAELP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)C[C@H](C)O1 ZINC000926343140 1211535143 /nfs/dbraw/zinc/53/51/43/1211535143.db2.gz WCDPXDZMQNAXTO-JTDSTZFVSA-N 2 2 366.506 0.299 10 0 FCAELP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)C[C@H](C)O1 ZINC000926343140 1211535149 /nfs/dbraw/zinc/53/51/49/1211535149.db2.gz WCDPXDZMQNAXTO-JTDSTZFVSA-N 2 2 366.506 0.299 10 0 FCAELP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)CC1 ZINC000926347100 1211536216 /nfs/dbraw/zinc/53/62/16/1211536216.db2.gz MHCSZQQBWCBSOS-IBGZPJMESA-N 2 2 366.506 0.300 10 0 FCAELP C[C@@H](c1cccc(NC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)c1)[NH+]1CCOCC1 ZINC000927811830 1211582502 /nfs/dbraw/zinc/58/25/02/1211582502.db2.gz GVXZSRUPNMFFLC-JKIFEVAISA-N 2 2 360.458 0.742 10 0 FCAELP CC(C)[C@H](CNC(=O)C(=O)N1CCC12CC[NH+](C)CC2)[NH+]1CCOCC1 ZINC000929299022 1211628533 /nfs/dbraw/zinc/62/85/33/1211628533.db2.gz ZAOPUEMSSZCWIO-INIZCTEOSA-N 2 2 366.506 0.156 10 0 FCAELP CC1(OCC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C[NH2+]C1 ZINC000649308957 1213652327 /nfs/dbraw/zinc/65/23/27/1213652327.db2.gz JWMHUKQHQORAGP-UHFFFAOYSA-N 2 2 363.458 0.392 10 0 FCAELP C[N@@H+]1CCC[C@](O)(CC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000900014139 1217954537 /nfs/dbraw/zinc/95/45/37/1217954537.db2.gz VQTCVEQFDLWJAY-ICSRJNTNSA-N 2 2 361.486 0.850 10 0 FCAELP C[N@H+]1CCC[C@](O)(CC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000900014139 1217954542 /nfs/dbraw/zinc/95/45/42/1217954542.db2.gz VQTCVEQFDLWJAY-ICSRJNTNSA-N 2 2 361.486 0.850 10 0 FCAELP C[NH+]1CCC[C@](O)(CC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000900014139 1217954547 /nfs/dbraw/zinc/95/45/47/1217954547.db2.gz VQTCVEQFDLWJAY-ICSRJNTNSA-N 2 2 361.486 0.850 10 0 FCAELP C[NH+]1CCC[C@](O)(CC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000900014139 1217954551 /nfs/dbraw/zinc/95/45/51/1217954551.db2.gz VQTCVEQFDLWJAY-ICSRJNTNSA-N 2 2 361.486 0.850 10 0 FCAELP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000900208722 1217971339 /nfs/dbraw/zinc/97/13/39/1217971339.db2.gz CDPSZUATIZKKSJ-FXAWDEMLSA-N 2 2 374.485 0.146 10 0 FCAELP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000900208722 1217971343 /nfs/dbraw/zinc/97/13/43/1217971343.db2.gz CDPSZUATIZKKSJ-FXAWDEMLSA-N 2 2 374.485 0.146 10 0 FCAELP C/C(=C/C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)C[NH+]1CCOCC1 ZINC000900480093 1217995994 /nfs/dbraw/zinc/99/59/94/1217995994.db2.gz AGABDJAXMNLWME-SSZFMOIBSA-N 2 2 369.506 0.997 10 0 FCAELP COC(=O)CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)C1=O ZINC000903507285 1218430526 /nfs/dbraw/zinc/43/05/26/1218430526.db2.gz UVTOMHWCJAVXGL-IXDOHACOSA-N 2 2 364.490 0.051 10 0 FCAELP COC(=O)CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)C1=O ZINC000903507285 1218430534 /nfs/dbraw/zinc/43/05/34/1218430534.db2.gz UVTOMHWCJAVXGL-IXDOHACOSA-N 2 2 364.490 0.051 10 0 FCAELP c1nc(N2CCOCC2)cc(N2CC[NH+](C[C@H]3CCCC[NH2+]C3)CC2)n1 ZINC000903752310 1218515358 /nfs/dbraw/zinc/51/53/58/1218515358.db2.gz MVUMLAXAHUDKDF-KRWDZBQOSA-N 2 2 360.506 0.825 10 0 FCAELP C[C@H](CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)[NH2+]Cc1ccccn1 ZINC001491533911 1220153164 /nfs/dbraw/zinc/15/31/64/1220153164.db2.gz HNQTUHVJBWEKHF-NXHRZFHOSA-N 2 2 362.474 0.556 10 0 FCAELP COCC[NH2+]C1CCN(C(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC001118332934 1221762336 /nfs/dbraw/zinc/76/23/36/1221762336.db2.gz IOOUVHZSUQPPSW-UHFFFAOYSA-N 2 2 363.462 0.343 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCC[C@]3(C)CC3(F)F)C2)CC1 ZINC001118615726 1221808850 /nfs/dbraw/zinc/80/88/50/1221808850.db2.gz CCBCRSNQPGKTCC-CXAGYDPISA-N 2 2 372.460 0.823 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCC[C@]3(C)CC3(F)F)C2)CC1 ZINC001118615726 1221808852 /nfs/dbraw/zinc/80/88/52/1221808852.db2.gz CCBCRSNQPGKTCC-CXAGYDPISA-N 2 2 372.460 0.823 10 0 FCAELP C[C@H](C(=O)Nc1ncccn1)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001118898507 1221842355 /nfs/dbraw/zinc/84/23/55/1221842355.db2.gz XFGITCDUJUZBRR-BNOWGMLFSA-N 2 2 360.418 0.061 10 0 FCAELP C[C@H]1CCOCCN1C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001119662229 1221947054 /nfs/dbraw/zinc/94/70/54/1221947054.db2.gz LXBTWZWSDOVGHB-HNNXBMFYSA-N 2 2 366.506 0.299 10 0 FCAELP C[N@H+](C[C@H](O)C1(O)CCOCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001119749205 1221963032 /nfs/dbraw/zinc/96/30/32/1221963032.db2.gz MTEJQIQGYRUREU-OALUTQOASA-N 2 2 364.486 0.458 10 0 FCAELP C[N@@H+](C[C@H](O)C1(O)CCOCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001119749205 1221963040 /nfs/dbraw/zinc/96/30/40/1221963040.db2.gz MTEJQIQGYRUREU-OALUTQOASA-N 2 2 364.486 0.458 10 0 FCAELP C[NH+](C[C@H](O)C1(O)CCOCC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001119749205 1221963046 /nfs/dbraw/zinc/96/30/46/1221963046.db2.gz MTEJQIQGYRUREU-OALUTQOASA-N 2 2 364.486 0.458 10 0 FCAELP C[NH+](C[C@H](O)C1(O)CCOCC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001119749205 1221963052 /nfs/dbraw/zinc/96/30/52/1221963052.db2.gz MTEJQIQGYRUREU-OALUTQOASA-N 2 2 364.486 0.458 10 0 FCAELP C[NH+](C)[C@]1(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)COc2ccccc2C1 ZINC001123753899 1222354780 /nfs/dbraw/zinc/35/47/80/1222354780.db2.gz DVNZIULJQZASSN-IBGZPJMESA-N 2 2 355.442 0.994 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](OC(=O)N(C)C)C2)C1 ZINC000830486943 1222474838 /nfs/dbraw/zinc/47/48/38/1222474838.db2.gz LABIDNKTBJAGFD-JKSUJKDBSA-N 2 2 370.494 0.232 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](OC(=O)N(C)C)C2)C1 ZINC000830486943 1222474845 /nfs/dbraw/zinc/47/48/45/1222474845.db2.gz LABIDNKTBJAGFD-JKSUJKDBSA-N 2 2 370.494 0.232 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H](OC(=O)N(C)C)C2)C1 ZINC000830486943 1222474851 /nfs/dbraw/zinc/47/48/51/1222474851.db2.gz LABIDNKTBJAGFD-JKSUJKDBSA-N 2 2 370.494 0.232 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H](OC(=O)N(C)C)C2)C1 ZINC000830486943 1222474854 /nfs/dbraw/zinc/47/48/54/1222474854.db2.gz LABIDNKTBJAGFD-JKSUJKDBSA-N 2 2 370.494 0.232 10 0 FCAELP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000842208922 1222841609 /nfs/dbraw/zinc/84/16/09/1222841609.db2.gz UCMNXAIPISBROV-HNAYVOBHSA-N 2 2 357.458 0.379 10 0 FCAELP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H](C[NH2+]Cc1cnnn1C)C1CC1 ZINC001277703628 1226164312 /nfs/dbraw/zinc/16/43/12/1226164312.db2.gz XKIBNGVZHMOUML-OAGGEKHMSA-N 2 2 357.462 0.679 10 0 FCAELP C[C@@H]1CN(C(=[NH2+])NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000849093597 1245392797 /nfs/dbraw/zinc/39/27/97/1245392797.db2.gz BKJXRYJDJCIDKJ-OAHLLOKOSA-N 2 2 360.462 0.365 10 0 FCAELP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](CCO)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849493954 1245396557 /nfs/dbraw/zinc/39/65/57/1245396557.db2.gz NPDUTNQQZMKLPJ-QZTJIDSGSA-N 2 2 363.506 0.371 10 0 FCAELP CC(C)[N@H+]1CC[C@@H](C(=O)N2CC[NH+](CCO)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849493954 1245396562 /nfs/dbraw/zinc/39/65/62/1245396562.db2.gz NPDUTNQQZMKLPJ-QZTJIDSGSA-N 2 2 363.506 0.371 10 0 FCAELP 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CC[N@@H+](C)CCC(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001509679134 1264464470 /nfs/dbraw/zinc/46/44/70/1264464470.db2.gz TYUJEEKFMPJDFS-QCODTGAPSA-N 2 2 359.474 0.676 10 0 FCAELP CC[N@H+](C)CCC(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001509679134 1264464476 /nfs/dbraw/zinc/46/44/76/1264464476.db2.gz TYUJEEKFMPJDFS-QCODTGAPSA-N 2 2 359.474 0.676 10 0 FCAELP CC[N@@H+](C)CCC(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001509679134 1264464481 /nfs/dbraw/zinc/46/44/81/1264464481.db2.gz TYUJEEKFMPJDFS-QCODTGAPSA-N 2 2 359.474 0.676 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCC2(O)C[NH+](Cc3cccc(N(C)C)c3)C2)CC[N@@H+]1C ZINC001325215129 1264812831 /nfs/dbraw/zinc/81/28/31/1264812831.db2.gz YGMMAHFOICLGTP-CRAIPNDOSA-N 2 2 360.502 0.756 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCC2(O)C[NH+](Cc3cccc(N(C)C)c3)C2)CC[N@H+]1C ZINC001325215129 1264812843 /nfs/dbraw/zinc/81/28/43/1264812843.db2.gz YGMMAHFOICLGTP-CRAIPNDOSA-N 2 2 360.502 0.756 10 0 FCAELP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001513291284 1265019840 /nfs/dbraw/zinc/01/98/40/1265019840.db2.gz VXTZLAVJBOMHTO-MGPQQGTHSA-N 2 2 353.442 0.595 10 0 FCAELP COC[C@H](O)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001325946273 1265026081 /nfs/dbraw/zinc/02/60/81/1265026081.db2.gz OEQAUUFVZATUQL-CWIFOLKKSA-N 2 2 362.474 0.454 10 0 FCAELP COC[C@H](O)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001325946273 1265026091 /nfs/dbraw/zinc/02/60/91/1265026091.db2.gz OEQAUUFVZATUQL-CWIFOLKKSA-N 2 2 362.474 0.454 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@]4(CC4(F)F)C3)C2)CC1 ZINC001326644068 1265148591 /nfs/dbraw/zinc/14/85/91/1265148591.db2.gz DEQGUUKFWPKVLK-GUYCJALGSA-N 2 2 370.444 0.529 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@]4(CC4(F)F)C3)C2)CC1 ZINC001326644068 1265148595 /nfs/dbraw/zinc/14/85/95/1265148595.db2.gz DEQGUUKFWPKVLK-GUYCJALGSA-N 2 2 370.444 0.529 10 0 FCAELP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@](CO)([NH2+]CC2CCOCC2)C1 ZINC001327568076 1265359865 /nfs/dbraw/zinc/35/98/65/1265359865.db2.gz BEYRNDBQIBFWPM-MDZRGWNJSA-N 2 2 362.474 0.883 10 0 FCAELP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@](CO)([NH2+]CC2CCOCC2)C1 ZINC001327568076 1265359871 /nfs/dbraw/zinc/35/98/71/1265359871.db2.gz BEYRNDBQIBFWPM-MDZRGWNJSA-N 2 2 362.474 0.883 10 0 FCAELP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001522286435 1266467689 /nfs/dbraw/zinc/46/76/89/1266467689.db2.gz HGMSTBMCDIQLRM-XDNAFOTISA-N 2 2 371.485 0.932 10 0 FCAELP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001522286435 1266467694 /nfs/dbraw/zinc/46/76/94/1266467694.db2.gz HGMSTBMCDIQLRM-XDNAFOTISA-N 2 2 371.485 0.932 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC3(CC4CC4)CC3)C2)CC1 ZINC001334500912 1267039909 /nfs/dbraw/zinc/03/99/09/1267039909.db2.gz ATLZUNBURWHFNI-INIZCTEOSA-N 2 2 362.518 0.968 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC3(CC4CC4)CC3)C2)CC1 ZINC001334500912 1267039919 /nfs/dbraw/zinc/03/99/19/1267039919.db2.gz ATLZUNBURWHFNI-INIZCTEOSA-N 2 2 362.518 0.968 10 0 FCAELP Cc1noc([C@H]2OCC[C@H]2[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)n1 ZINC001334908768 1267226778 /nfs/dbraw/zinc/22/67/78/1267226778.db2.gz YWQHGRUFJNVXNN-CABCVRRESA-N 2 2 359.434 0.540 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCC1CS(=O)(=O)C1 ZINC001338757219 1268077098 /nfs/dbraw/zinc/07/70/98/1268077098.db2.gz KBXSPFBWLYRFKE-UHFFFAOYSA-N 2 2 360.524 0.089 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCC1CS(=O)(=O)C1 ZINC001338757219 1268077111 /nfs/dbraw/zinc/07/71/11/1268077111.db2.gz KBXSPFBWLYRFKE-UHFFFAOYSA-N 2 2 360.524 0.089 10 0 FCAELP Cn1ccn2c(C[NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)nnc2c1=O ZINC001340065337 1268423134 /nfs/dbraw/zinc/42/31/34/1268423134.db2.gz SOAJYWTYOJHTJL-IFXJQAMLSA-N 2 2 366.425 0.774 10 0 FCAELP CC[NH+](CC)CC(=O)N1CC[C@H]2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@H]21 ZINC001341029170 1268750993 /nfs/dbraw/zinc/75/09/93/1268750993.db2.gz QJCIWBARIKBWFA-HLLBOEOZSA-N 2 2 361.490 0.989 10 0 FCAELP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001342639561 1269546078 /nfs/dbraw/zinc/54/60/78/1269546078.db2.gz KGNVRKHQZBMUOC-KLHDSHLOSA-N 2 2 361.490 0.829 10 0 FCAELP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3C)CC[C@@H]2C1 ZINC001566045038 1269576976 /nfs/dbraw/zinc/57/69/76/1269576976.db2.gz UHMOEMKFLDFIHQ-PMPSAXMXSA-N 2 2 366.485 0.775 10 0 FCAELP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3C)CC[C@@H]2C1 ZINC001566045038 1269576984 /nfs/dbraw/zinc/57/69/84/1269576984.db2.gz UHMOEMKFLDFIHQ-PMPSAXMXSA-N 2 2 366.485 0.775 10 0 FCAELP Cc1nnc([C@H](C)[N@H+](C)CCOCCN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[nH]1 ZINC001566059050 1269589992 /nfs/dbraw/zinc/58/99/92/1269589992.db2.gz DMDPEAJZBWBVSH-IJEWVQPXSA-N 2 2 366.510 0.921 10 0 FCAELP Cc1nnc([C@H](C)[N@@H+](C)CCOCCN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[nH]1 ZINC001566059050 1269589999 /nfs/dbraw/zinc/58/99/99/1269589999.db2.gz DMDPEAJZBWBVSH-IJEWVQPXSA-N 2 2 366.510 0.921 10 0 FCAELP Cc1nnc([C@H](C)[NH+](C)CCOCCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[nH]1 ZINC001566059050 1269590005 /nfs/dbraw/zinc/59/00/05/1269590005.db2.gz DMDPEAJZBWBVSH-IJEWVQPXSA-N 2 2 366.510 0.921 10 0 FCAELP Cc1nnc([C@H](C)[NH+](C)CCOCCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[nH]1 ZINC001566059050 1269590010 /nfs/dbraw/zinc/59/00/10/1269590010.db2.gz DMDPEAJZBWBVSH-IJEWVQPXSA-N 2 2 366.510 0.921 10 0 FCAELP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NCc2ccco2)[C@@H]1C ZINC001566115477 1269615800 /nfs/dbraw/zinc/61/58/00/1269615800.db2.gz LSVAIJZPWNYKCD-ZBFHGGJFSA-N 2 2 350.463 0.815 10 0 FCAELP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NCc2ccco2)[C@@H]1C ZINC001566115477 1269615805 /nfs/dbraw/zinc/61/58/05/1269615805.db2.gz LSVAIJZPWNYKCD-ZBFHGGJFSA-N 2 2 350.463 0.815 10 0 FCAELP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NCc2ccco2)[C@@H]1C ZINC001566115477 1269615810 /nfs/dbraw/zinc/61/58/10/1269615810.db2.gz LSVAIJZPWNYKCD-ZBFHGGJFSA-N 2 2 350.463 0.815 10 0 FCAELP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCc2ccco2)[C@@H]1C ZINC001566115477 1269615816 /nfs/dbraw/zinc/61/58/16/1269615816.db2.gz LSVAIJZPWNYKCD-ZBFHGGJFSA-N 2 2 350.463 0.815 10 0 FCAELP CC(C)N(C)C(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC001566724400 1269661146 /nfs/dbraw/zinc/66/11/46/1269661146.db2.gz HZQCLLDGXNKFHS-OAGGEKHMSA-N 2 2 361.490 0.875 10 0 FCAELP CC(C)NC(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001566773259 1269664304 /nfs/dbraw/zinc/66/43/04/1269664304.db2.gz AJDMPRHAZFSUMY-RRFJBIMHSA-N 2 2 362.478 0.422 10 0 FCAELP C[C@@H](CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C[NH2+]Cc1ccon1 ZINC001568185502 1269720951 /nfs/dbraw/zinc/72/09/51/1269720951.db2.gz SZBBXLOGLDRSLR-OIISXLGYSA-N 2 2 366.462 0.396 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H](O)C[NH2+]CCn1cc(Cl)cn1 ZINC001568579430 1269740461 /nfs/dbraw/zinc/74/04/61/1269740461.db2.gz BBJIEMVEHCVLBU-MGPQQGTHSA-N 2 2 366.853 0.140 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCC2(O)C[NH+](CCCOc3ccccc3)C2)CC[N@@H+]1C ZINC001569774960 1269806984 /nfs/dbraw/zinc/80/69/84/1269806984.db2.gz VIMNALBDRJSISI-SJLPKXTDSA-N 2 2 361.486 0.959 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCC2(O)C[NH+](CCCOc3ccccc3)C2)CC[N@H+]1C ZINC001569774960 1269806993 /nfs/dbraw/zinc/80/69/93/1269806993.db2.gz VIMNALBDRJSISI-SJLPKXTDSA-N 2 2 361.486 0.959 10 0 FCAELP CC(C)OCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001569898440 1269819240 /nfs/dbraw/zinc/81/92/40/1269819240.db2.gz ODSIWRKKQXTQCT-MDZRGWNJSA-N 2 2 364.490 0.892 10 0 FCAELP CC(C)OCC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001569898440 1269819247 /nfs/dbraw/zinc/81/92/47/1269819247.db2.gz ODSIWRKKQXTQCT-MDZRGWNJSA-N 2 2 364.490 0.892 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC2(CCO)C[NH+](C[C@@H](O)c3ccccc3)C2)CC[N@@H+]1C ZINC001570759497 1269910875 /nfs/dbraw/zinc/91/08/75/1269910875.db2.gz CWAGZGDLFYKIAV-KBAYOESNSA-N 2 2 361.486 0.613 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC2(CCO)C[NH+](C[C@@H](O)c3ccccc3)C2)CC[N@H+]1C ZINC001570759497 1269910879 /nfs/dbraw/zinc/91/08/79/1269910879.db2.gz CWAGZGDLFYKIAV-KBAYOESNSA-N 2 2 361.486 0.613 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(CCO)C[NH+](C[C@@H]2CCCOC2)C1 ZINC001570765174 1269911868 /nfs/dbraw/zinc/91/18/68/1269911868.db2.gz OVHNSOJFRZMFNV-ARFHVFGLSA-N 2 2 362.474 0.503 10 0 FCAELP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001571849863 1269964390 /nfs/dbraw/zinc/96/43/90/1269964390.db2.gz VNVJHEMWBXQJQR-BPLDGKMQSA-N 2 2 358.446 0.692 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001573519543 1270806989 /nfs/dbraw/zinc/80/69/89/1270806989.db2.gz XGGVVWMHXACICL-IXDOHACOSA-N 2 2 366.506 0.299 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001573519543 1270807004 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BHLNNBMSKVRTDX-UHFFFAOYSA-N 2 2 366.510 0.467 10 0 FCAELP CC(C)CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001713353817 1287275400 /nfs/dbraw/zinc/27/54/00/1287275400.db2.gz BYIKBWQKDONRKI-BZUAXINKSA-N 2 2 361.490 0.734 10 0 FCAELP CCn1cc(C[NH2+][C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C2CC2)nn1 ZINC001713876456 1287303660 /nfs/dbraw/zinc/30/36/60/1287303660.db2.gz HZVFQDHJNVZQNM-BZUAXINKSA-N 2 2 357.462 0.820 10 0 FCAELP C[C@H](C[NH2+]CC(=O)NCC1CCC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001715368544 1287351130 /nfs/dbraw/zinc/35/11/30/1287351130.db2.gz ZETUNELJBOVXTG-FVQBIDKESA-N 2 2 361.490 0.876 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2cc(=O)n3[nH]ccc3n2)CC[N@@H+]1C ZINC001715978589 1287367882 /nfs/dbraw/zinc/36/78/82/1287367882.db2.gz YIAPPZJAXUIFLD-AEGPPILISA-N 2 2 360.462 0.347 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2cc(=O)n3[nH]ccc3n2)CC[N@H+]1C ZINC001715978589 1287367883 /nfs/dbraw/zinc/36/78/83/1287367883.db2.gz 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CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[NH+](Cc3ncc(C)cn3)C2)CC[N@H+]1C ZINC001724397357 1288439402 /nfs/dbraw/zinc/43/94/02/1288439402.db2.gz ORPPNWLAIPYSNF-FCEWJHQRSA-N 2 2 361.490 0.568 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](Cc3ncc(C)cn3)C2)CC[NH+]1C ZINC001724397357 1288439409 /nfs/dbraw/zinc/43/94/09/1288439409.db2.gz ORPPNWLAIPYSNF-FCEWJHQRSA-N 2 2 361.490 0.568 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ncc(C)cn3)C2)CC[NH+]1C ZINC001724397357 1288439412 /nfs/dbraw/zinc/43/94/12/1288439412.db2.gz ORPPNWLAIPYSNF-FCEWJHQRSA-N 2 2 361.490 0.568 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CC2CCOCC2)C1 ZINC001724416108 1288442184 /nfs/dbraw/zinc/44/21/84/1288442184.db2.gz FEDZWGIAXGCGIJ-MDZRGWNJSA-N 2 2 362.474 0.503 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CC2CCOCC2)C1 ZINC001724416108 1288442189 /nfs/dbraw/zinc/44/21/89/1288442189.db2.gz FEDZWGIAXGCGIJ-MDZRGWNJSA-N 2 2 362.474 0.503 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]([NH2+]CCN1CCCC1=O)C1CC1 ZINC001731403410 1288555395 /nfs/dbraw/zinc/55/53/95/1288555395.db2.gz AWGMBDRWEFUYJV-BZUAXINKSA-N 2 2 359.474 0.630 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[N@H+](C)CCNC(=O)NC(C)(C)C ZINC001731787948 1288565917 /nfs/dbraw/zinc/56/59/17/1288565917.db2.gz NXZWRFPHXKHMIU-ZIAGYGMSSA-N 2 2 364.494 0.669 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[N@@H+](C)CCNC(=O)NC(C)(C)C ZINC001731787948 1288565921 /nfs/dbraw/zinc/56/59/21/1288565921.db2.gz NXZWRFPHXKHMIU-ZIAGYGMSSA-N 2 2 364.494 0.669 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC2C[NH+](C[C@@H](O)COCc3ccco3)C2)CC[N@@H+]1C ZINC001732102304 1288575251 /nfs/dbraw/zinc/57/52/51/1288575251.db2.gz VCCVVPPBOWXGFE-FRFSOERESA-N 2 2 351.447 0.298 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC2C[NH+](C[C@@H](O)COCc3ccco3)C2)CC[N@H+]1C ZINC001732102304 1288575254 /nfs/dbraw/zinc/57/52/54/1288575254.db2.gz VCCVVPPBOWXGFE-FRFSOERESA-N 2 2 351.447 0.298 10 0 FCAELP CCN(CC[NH2+]C[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001732798904 1288595532 /nfs/dbraw/zinc/59/55/32/1288595532.db2.gz YMNYDYLEYWWZOW-RBSFLKMASA-N 2 2 368.503 0.396 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N[C@@]2(CO)CCC[NH+](CC(=O)NC(C)C)C2)CC[N@@H+]1C ZINC001733589859 1288623097 /nfs/dbraw/zinc/62/30/97/1288623097.db2.gz WHQIZDUUIUXZEV-FCEWJHQRSA-N 2 2 368.522 0.184 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N[C@@]2(CO)CCC[NH+](CC(=O)NC(C)C)C2)CC[N@H+]1C ZINC001733589859 1288623100 /nfs/dbraw/zinc/62/31/00/1288623100.db2.gz WHQIZDUUIUXZEV-FCEWJHQRSA-N 2 2 368.522 0.184 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N[C@@]2(CO)CCC[N@H+](CC(=O)NC(C)C)C2)CC[NH+]1C ZINC001733589859 1288623103 /nfs/dbraw/zinc/62/31/03/1288623103.db2.gz WHQIZDUUIUXZEV-FCEWJHQRSA-N 2 2 368.522 0.184 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N[C@@]2(CO)CCC[N@@H+](CC(=O)NC(C)C)C2)CC[NH+]1C ZINC001733589859 1288623105 /nfs/dbraw/zinc/62/31/05/1288623105.db2.gz WHQIZDUUIUXZEV-FCEWJHQRSA-N 2 2 368.522 0.184 10 0 FCAELP Cc1nnc(C[NH2+][C@]2(CO)CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)s1 ZINC001733817088 1288630319 /nfs/dbraw/zinc/63/03/19/1288630319.db2.gz IKDLJFPXEPRVAI-SUYBPPKGSA-N 2 2 367.519 0.630 10 0 FCAELP Cc1nnc(C[NH2+][C@]2(CO)CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)s1 ZINC001733817088 1288630322 /nfs/dbraw/zinc/63/03/22/1288630322.db2.gz IKDLJFPXEPRVAI-SUYBPPKGSA-N 2 2 367.519 0.630 10 0 FCAELP C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CCCS(C)(=O)=O ZINC001734341907 1288649980 /nfs/dbraw/zinc/64/99/80/1288649980.db2.gz AHDFLYNSQPAOQV-MGPQQGTHSA-N 2 2 356.492 0.395 10 0 FCAELP C[NH+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001739380309 1289882190 /nfs/dbraw/zinc/88/21/90/1289882190.db2.gz DXAPYGSLBHIRJP-HRCADAONSA-N 2 2 359.474 0.457 10 0 FCAELP C[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@H]21 ZINC001739390244 1289900042 /nfs/dbraw/zinc/90/00/42/1289900042.db2.gz KSSIQAKXJFLPIU-YQQAZPJKSA-N 2 2 359.474 0.457 10 0 FCAELP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001702270831 1289939475 /nfs/dbraw/zinc/93/94/75/1289939475.db2.gz PPRQGNZBXLAGAN-BZUAXINKSA-N 2 2 361.490 0.750 10 0 FCAELP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001702270831 1289939479 /nfs/dbraw/zinc/93/94/79/1289939479.db2.gz PPRQGNZBXLAGAN-BZUAXINKSA-N 2 2 361.490 0.750 10 0 FCAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001739878136 1290418010 /nfs/dbraw/zinc/41/80/10/1290418010.db2.gz HGSIVGZDJIHYNT-JKSUJKDBSA-N 2 2 361.490 0.850 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CCN1C(=O)C[NH+](CC)CC ZINC001739999975 1290462937 /nfs/dbraw/zinc/46/29/37/1290462937.db2.gz YBGOFMXDDKOYHH-XHSDSOJGSA-N 2 2 354.495 0.155 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1C(=O)C[NH+](CC)CC ZINC001739999975 1290462940 /nfs/dbraw/zinc/46/29/40/1290462940.db2.gz YBGOFMXDDKOYHH-XHSDSOJGSA-N 2 2 354.495 0.155 10 0 FCAELP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@H]1C ZINC001750927077 1290605862 /nfs/dbraw/zinc/60/58/62/1290605862.db2.gz JNDRKIJMDBOJGV-QLFBSQMISA-N 2 2 367.494 0.286 10 0 FCAELP CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@H]1C ZINC001750927077 1290605874 /nfs/dbraw/zinc/60/58/74/1290605874.db2.gz JNDRKIJMDBOJGV-QLFBSQMISA-N 2 2 367.494 0.286 10 0 FCAELP CCNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)[C@H]1C ZINC001750927077 1290605884 /nfs/dbraw/zinc/60/58/84/1290605884.db2.gz JNDRKIJMDBOJGV-QLFBSQMISA-N 2 2 367.494 0.286 10 0 FCAELP CCNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@H]1C ZINC001750927077 1290605895 /nfs/dbraw/zinc/60/58/95/1290605895.db2.gz JNDRKIJMDBOJGV-QLFBSQMISA-N 2 2 367.494 0.286 10 0 FCAELP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCN2C(=O)N[C@@H](C)C2=O)CC1 ZINC001652430033 1291278012 /nfs/dbraw/zinc/27/80/12/1291278012.db2.gz QBIZHOXTBRQQDB-OAGGEKHMSA-N 2 2 351.495 0.417 10 0 FCAELP C[N@@H+]1C[C@@H](NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C(C)(C)C1 ZINC001652490830 1291280559 /nfs/dbraw/zinc/28/05/59/1291280559.db2.gz BRTSLOICLMGKFG-MRXNPFEDSA-N 2 2 373.501 0.967 10 0 FCAELP C[N@H+]1C[C@@H](NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C(C)(C)C1 ZINC001652490830 1291280564 /nfs/dbraw/zinc/28/05/64/1291280564.db2.gz BRTSLOICLMGKFG-MRXNPFEDSA-N 2 2 373.501 0.967 10 0 FCAELP C[C@@H]1[C@H](C(=O)N(C)CCOCC[NH+](C)Cc2nccn2C)CC[N@@H+]1C ZINC001656859839 1291570068 /nfs/dbraw/zinc/57/00/68/1291570068.db2.gz BSXSGJRYGDIJCT-HZPDHXFCSA-N 2 2 351.495 0.667 10 0 FCAELP C[C@@H]1[C@H](C(=O)N(C)CCOCC[NH+](C)Cc2nccn2C)CC[N@H+]1C ZINC001656859839 1291570073 /nfs/dbraw/zinc/57/00/73/1291570073.db2.gz BSXSGJRYGDIJCT-HZPDHXFCSA-N 2 2 351.495 0.667 10 0 FCAELP C[C@@H]1[C@H](C(=O)N(C)CCOCC[N@H+](C)Cc2nccn2C)CC[NH+]1C ZINC001656859839 1291570080 /nfs/dbraw/zinc/57/00/80/1291570080.db2.gz BSXSGJRYGDIJCT-HZPDHXFCSA-N 2 2 351.495 0.667 10 0 FCAELP C[C@@H]1[C@H](C(=O)N(C)CCOCC[N@@H+](C)Cc2nccn2C)CC[NH+]1C ZINC001656859839 1291570084 /nfs/dbraw/zinc/57/00/84/1291570084.db2.gz BSXSGJRYGDIJCT-HZPDHXFCSA-N 2 2 351.495 0.667 10 0 FCAELP CN(CC[NH2+]CC[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001663991782 1291779184 /nfs/dbraw/zinc/77/91/84/1291779184.db2.gz CLFMOGSAGQBFHJ-MGPQQGTHSA-N 2 2 354.476 0.386 10 0 FCAELP CN(CC[NH2+]CC[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001663991782 1291779191 /nfs/dbraw/zinc/77/91/91/1291779191.db2.gz CLFMOGSAGQBFHJ-MGPQQGTHSA-N 2 2 354.476 0.386 10 0 FCAELP COCCCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCO1 ZINC001673316678 1292104585 /nfs/dbraw/zinc/10/45/85/1292104585.db2.gz HAHNOUVHRGQVFU-ARFHVFGLSA-N 2 2 350.463 0.767 10 0 FCAELP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001678670524 1292278289 /nfs/dbraw/zinc/27/82/89/1292278289.db2.gz MAVPIFMPCDVPSS-NUEKZKHPSA-N 2 2 361.490 0.827 10 0 FCAELP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001678670524 1292278294 /nfs/dbraw/zinc/27/82/94/1292278294.db2.gz MAVPIFMPCDVPSS-NUEKZKHPSA-N 2 2 361.490 0.827 10 0 FCAELP C[NH+](C)CCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@]2(C)C1 ZINC001685567101 1292559989 /nfs/dbraw/zinc/55/99/89/1292559989.db2.gz KUIXKJVDZJBIJO-NRTGNBEESA-N 2 2 359.474 0.772 10 0 FCAELP C[NH+](C)CCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC001685567101 1292559998 /nfs/dbraw/zinc/55/99/98/1292559998.db2.gz KUIXKJVDZJBIJO-NRTGNBEESA-N 2 2 359.474 0.772 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001686248337 1292853929 /nfs/dbraw/zinc/85/39/29/1292853929.db2.gz PKZRKACIDMRZQA-QCODTGAPSA-N 2 2 359.474 0.723 10 0 FCAELP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)NC(=O)Cn1cc[nH+]c1 ZINC001688186376 1293050739 /nfs/dbraw/zinc/05/07/39/1293050739.db2.gz GMHAQUCZWLWDMW-JQHSSLGASA-N 2 2 369.469 0.849 10 0 FCAELP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)NC(=O)Cn1cc[nH+]c1 ZINC001688186376 1293050751 /nfs/dbraw/zinc/05/07/51/1293050751.db2.gz GMHAQUCZWLWDMW-JQHSSLGASA-N 2 2 369.469 0.849 10 0 FCAELP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2C(=O)NCC23CCOCC3)CC1 ZINC001119519364 847872632 /nfs/dbraw/zinc/87/26/32/847872632.db2.gz IVHJMHCIVMRRIX-INIZCTEOSA-N 2 2 353.463 0.289 10 0 FCAELP C(C[NH+]1CCOCC1)N1CCC([NH2+][C@@H]2CCOC23CCOCC3)CC1 ZINC001120072524 848070730 /nfs/dbraw/zinc/07/07/30/848070730.db2.gz WOIBAZFXIGCCQC-GOSISDBHSA-N 2 2 353.507 0.711 10 0 FCAELP C[C@H](NC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)[C@@H]1CN(C)CC[NH+]1C ZINC001123724648 848630019 /nfs/dbraw/zinc/63/00/19/848630019.db2.gz YBVRPKWOXVFWQH-UAGQMJEPSA-N 2 2 353.511 0.173 10 0 FCAELP C[C@H](NC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1)[C@@H]1CN(C)CC[NH+]1C ZINC001123724648 848630030 /nfs/dbraw/zinc/63/00/30/848630030.db2.gz YBVRPKWOXVFWQH-UAGQMJEPSA-N 2 2 353.511 0.173 10 0 FCAELP C[C@H](NC(=O)NC[C@H]1CC[NH+]1C1CCOCC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001123724648 848630036 /nfs/dbraw/zinc/63/00/36/848630036.db2.gz YBVRPKWOXVFWQH-UAGQMJEPSA-N 2 2 353.511 0.173 10 0 FCAELP C[C@H](NC(=O)NC[C@H]1CC[NH+]1C1CCOCC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001123724648 848630040 /nfs/dbraw/zinc/63/00/40/848630040.db2.gz YBVRPKWOXVFWQH-UAGQMJEPSA-N 2 2 353.511 0.173 10 0 FCAELP C[C@H](NC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)[C@H]1CN(C)CC[NH+]1C ZINC001123724650 848630161 /nfs/dbraw/zinc/63/01/61/848630161.db2.gz YBVRPKWOXVFWQH-USXIJHARSA-N 2 2 353.511 0.173 10 0 FCAELP C[C@H](NC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1)[C@H]1CN(C)CC[NH+]1C ZINC001123724650 848630166 /nfs/dbraw/zinc/63/01/66/848630166.db2.gz YBVRPKWOXVFWQH-USXIJHARSA-N 2 2 353.511 0.173 10 0 FCAELP C[C@H](NC(=O)NC[C@H]1CC[NH+]1C1CCOCC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001123724650 848630171 /nfs/dbraw/zinc/63/01/71/848630171.db2.gz YBVRPKWOXVFWQH-USXIJHARSA-N 2 2 353.511 0.173 10 0 FCAELP C[C@H](NC(=O)NC[C@H]1CC[NH+]1C1CCOCC1)[C@H]1CN(C)CC[N@H+]1C ZINC001123724650 848630176 /nfs/dbraw/zinc/63/01/76/848630176.db2.gz YBVRPKWOXVFWQH-USXIJHARSA-N 2 2 353.511 0.173 10 0 FCAELP C/C(=C/C(=O)N[C@@H]1CCC[C@H]1[NH+]1CCC(O)CC1)C[NH+]1CCOCC1 ZINC001123861856 848646920 /nfs/dbraw/zinc/64/69/20/848646920.db2.gz KPUXGIMQCXPFJR-FNXPSMSCSA-N 2 2 351.491 0.759 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H](C[C@H]1COCCO1)C(F)(F)F ZINC001146891187 849569240 /nfs/dbraw/zinc/56/92/40/849569240.db2.gz QPYVKOGMCIMZJW-UONOGXRCSA-N 2 2 369.428 0.970 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H](C[C@H]1COCCO1)C(F)(F)F ZINC001146891187 849569247 /nfs/dbraw/zinc/56/92/47/849569247.db2.gz QPYVKOGMCIMZJW-UONOGXRCSA-N 2 2 369.428 0.970 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2nnc(C3CC3)s2)CC[N@@H+]1C ZINC001278085187 862181700 /nfs/dbraw/zinc/18/17/00/862181700.db2.gz LIZFUBRKSPHYQF-KGYLQXTDSA-N 2 2 353.492 0.322 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2nnc(C3CC3)s2)CC[N@H+]1C ZINC001278085187 862181708 /nfs/dbraw/zinc/18/17/08/862181708.db2.gz LIZFUBRKSPHYQF-KGYLQXTDSA-N 2 2 353.492 0.322 10 0 FCAELP 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CC[C@@H]1[C@@H](NC(=O)C[NH+](CC)CC)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001344817021 871043164 /nfs/dbraw/zinc/04/31/64/871043164.db2.gz PTGMYRDJEVDLME-XHSDSOJGSA-N 2 2 354.495 0.155 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)C[NH+](CC)CC)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001344817021 871043181 /nfs/dbraw/zinc/04/31/81/871043181.db2.gz PTGMYRDJEVDLME-XHSDSOJGSA-N 2 2 354.495 0.155 10 0 FCAELP C[NH+](C)Cc1ccsc1C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001347598640 872411340 /nfs/dbraw/zinc/41/13/40/872411340.db2.gz YXABCAMMSPRGTJ-WMLDXEAASA-N 2 2 353.488 0.765 10 0 FCAELP C[NH+](C)Cc1ccsc1C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001347598640 872411348 /nfs/dbraw/zinc/41/13/48/872411348.db2.gz YXABCAMMSPRGTJ-WMLDXEAASA-N 2 2 353.488 0.765 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)n1 ZINC001332361964 873477457 /nfs/dbraw/zinc/47/74/57/873477457.db2.gz RDRFBLRDYBTFPF-OAHLLOKOSA-N 2 2 367.519 0.945 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)n1 ZINC001332361964 873477462 /nfs/dbraw/zinc/47/74/62/873477462.db2.gz RDRFBLRDYBTFPF-OAHLLOKOSA-N 2 2 367.519 0.945 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC001332632370 873590523 /nfs/dbraw/zinc/59/05/23/873590523.db2.gz CASABEXPOSOFSN-OCCSQVGLSA-N 2 2 365.503 0.564 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC001332632370 873590529 /nfs/dbraw/zinc/59/05/29/873590529.db2.gz CASABEXPOSOFSN-OCCSQVGLSA-N 2 2 365.503 0.564 10 0 FCAELP O[C@H]1COCC[NH+](Cc2cc(Cl)cc(C[N@H+]3CCOC[C@H](O)C3)c2)C1 ZINC000295552667 214304348 /nfs/dbraw/zinc/30/43/48/214304348.db2.gz KLTRGZZQMCUKBF-QZTJIDSGSA-N 2 2 370.877 0.726 10 0 FCAELP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2nc(C[NH+](C)C)cs2)C1 ZINC000931018334 674087457 /nfs/dbraw/zinc/08/74/57/674087457.db2.gz MLABWVKWPQROPQ-GFCCVEGCSA-N 2 2 353.492 0.421 10 0 FCAELP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2nc(C[NH+](C)C)cs2)C1 ZINC000931018334 674087458 /nfs/dbraw/zinc/08/74/58/674087458.db2.gz MLABWVKWPQROPQ-GFCCVEGCSA-N 2 2 353.492 0.421 10 0 FCAELP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1)c1ccc(F)cc1 ZINC000284735796 213208853 /nfs/dbraw/zinc/20/88/53/213208853.db2.gz ZMPLPSMMCUVQOY-KRWDZBQOSA-N 2 2 362.449 0.851 10 0 FCAELP C[NH+](C)C1(CNC(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2)CCCC1 ZINC000284619791 213181898 /nfs/dbraw/zinc/18/18/98/213181898.db2.gz YLGRRFNFDNHISB-UHFFFAOYSA-N 2 2 370.457 0.874 10 0 FCAELP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000284291136 213104403 /nfs/dbraw/zinc/10/44/03/213104403.db2.gz NYMGFQJGAARHCP-UHFFFAOYSA-N 2 2 370.497 0.858 10 0 FCAELP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000284291136 213104406 /nfs/dbraw/zinc/10/44/06/213104406.db2.gz NYMGFQJGAARHCP-UHFFFAOYSA-N 2 2 370.497 0.858 10 0 FCAELP C[C@H](CNC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1)C[NH+]1CCCC1 ZINC000284006342 213053406 /nfs/dbraw/zinc/05/34/06/213053406.db2.gz VAAPWIMNUDAABU-OAHLLOKOSA-N 2 2 370.457 0.732 10 0 FCAELP 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246151665 /nfs/dbraw/zinc/15/16/65/246151665.db2.gz ZDPNBUYCLHJUBT-QLFBSQMISA-N 2 2 350.488 0.820 10 0 FCAELP C[C@@H]1CCN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[C@@H]1C[NH3+] ZINC000419643314 246227938 /nfs/dbraw/zinc/22/79/38/246227938.db2.gz JAJIJVANOPRLLT-CABCVRRESA-N 2 2 359.474 0.610 10 0 FCAELP C[C@H]1CCN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[C@@H]1C[NH3+] ZINC000419643316 246228781 /nfs/dbraw/zinc/22/87/81/246228781.db2.gz JAJIJVANOPRLLT-GJZGRUSLSA-N 2 2 359.474 0.610 10 0 FCAELP [NH3+]CCCNC(=O)C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000419836781 246311645 /nfs/dbraw/zinc/31/16/45/246311645.db2.gz YHHSZTSACOCVQT-UHFFFAOYSA-N 2 2 368.865 0.328 10 0 FCAELP O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000423012306 246945895 /nfs/dbraw/zinc/94/58/95/246945895.db2.gz CWGNKDYVLQKSIT-HOCLYGCPSA-N 2 2 362.499 0.603 10 0 FCAELP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000423314392 247002899 /nfs/dbraw/zinc/00/28/99/247002899.db2.gz GYHRHDXYGOFYRW-JXXFODFXSA-N 2 2 373.501 0.730 10 0 FCAELP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000423719995 247125135 /nfs/dbraw/zinc/12/51/35/247125135.db2.gz NOFJFTMUHDANEG-HNNXBMFYSA-N 2 2 360.462 0.034 10 0 FCAELP CN(CC[NH+]1CCOCC1)c1cncc(N(C)CC[NH+]2CCOCC2)n1 ZINC000439172883 248112641 /nfs/dbraw/zinc/11/26/41/248112641.db2.gz YKUMFLSSQKXZRN-UHFFFAOYSA-N 2 2 364.494 0.013 10 0 FCAELP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000441177703 248240046 /nfs/dbraw/zinc/24/00/46/248240046.db2.gz BMEJTWXKEGSKDU-QYZOEREBSA-N 3 2 364.534 0.913 10 0 FCAELP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000441177703 248240051 /nfs/dbraw/zinc/24/00/51/248240051.db2.gz BMEJTWXKEGSKDU-QYZOEREBSA-N 3 2 364.534 0.913 10 0 FCAELP O=C(NC[C@H]1CCCC[N@H+]1CCO)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000453819870 249373335 /nfs/dbraw/zinc/37/33/35/249373335.db2.gz NSAGXLRPUPPNEU-QGZVFWFLSA-N 2 2 371.441 0.774 10 0 FCAELP O=C(NC[C@H]1CCCC[N@@H+]1CCO)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000453819870 249373338 /nfs/dbraw/zinc/37/33/38/249373338.db2.gz NSAGXLRPUPPNEU-QGZVFWFLSA-N 2 2 371.441 0.774 10 0 FCAELP CCOC(=O)C1(O)CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000271201756 211356641 /nfs/dbraw/zinc/35/66/41/211356641.db2.gz QACRJGIYUKKFHF-UHFFFAOYSA-N 2 2 363.462 0.118 10 0 FCAELP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000270584253 211229537 /nfs/dbraw/zinc/22/95/37/211229537.db2.gz DCQCWCPDKXJENJ-PVAVHDDUSA-N 2 2 359.474 0.508 10 0 FCAELP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000270584253 211229538 /nfs/dbraw/zinc/22/95/38/211229538.db2.gz DCQCWCPDKXJENJ-PVAVHDDUSA-N 2 2 359.474 0.508 10 0 FCAELP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](NC(N)=O)C1 ZINC000270584253 211229539 /nfs/dbraw/zinc/22/95/39/211229539.db2.gz DCQCWCPDKXJENJ-PVAVHDDUSA-N 2 2 359.474 0.508 10 0 FCAELP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](NC(N)=O)C1 ZINC000270584253 211229540 /nfs/dbraw/zinc/22/95/40/211229540.db2.gz DCQCWCPDKXJENJ-PVAVHDDUSA-N 2 2 359.474 0.508 10 0 FCAELP CCOC(=O)c1nn(C)cc1C[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000473127651 250201887 /nfs/dbraw/zinc/20/18/87/250201887.db2.gz LAPBHCARBVICLQ-CQSZACIVSA-N 2 2 374.445 0.611 10 0 FCAELP CN(CC[N@H+](C)C1CC1)C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000474002758 250264591 /nfs/dbraw/zinc/26/45/91/250264591.db2.gz YBESTMYMWLWIEN-HNNXBMFYSA-N 2 2 362.478 0.647 10 0 FCAELP CN(CC[N@@H+](C)C1CC1)C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000474002758 250264593 /nfs/dbraw/zinc/26/45/93/250264593.db2.gz YBESTMYMWLWIEN-HNNXBMFYSA-N 2 2 362.478 0.647 10 0 FCAELP Cn1c2[nH]c(C[NH+]3CCC(C[NH+]4CCCC4)CC3)nc2c(=O)n(C)c1=O ZINC000103143663 208172225 /nfs/dbraw/zinc/17/22/25/208172225.db2.gz XKHDGSHOPPOHJS-UHFFFAOYSA-N 2 2 360.462 0.268 10 0 FCAELP CCC(CC)[C@@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)[NH+]1CCOCC1 ZINC000104780880 208188068 /nfs/dbraw/zinc/18/80/68/208188068.db2.gz IYFWCGGYLXLBJW-DLBZAZTESA-N 2 2 356.511 0.753 10 0 FCAELP CCC(CC)[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)[NH+]1CCOCC1 ZINC000104780880 208188075 /nfs/dbraw/zinc/18/80/75/208188075.db2.gz IYFWCGGYLXLBJW-DLBZAZTESA-N 2 2 356.511 0.753 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC000104796627 208188511 /nfs/dbraw/zinc/18/85/11/208188511.db2.gz PFEDERVDVYSULE-KRWDZBQOSA-N 3 2 353.511 0.175 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC000104796627 208188517 /nfs/dbraw/zinc/18/85/17/208188517.db2.gz PFEDERVDVYSULE-KRWDZBQOSA-N 3 2 353.511 0.175 10 0 FCAELP CN1CCO[C@@H](CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000104796627 208188520 /nfs/dbraw/zinc/18/85/20/208188520.db2.gz PFEDERVDVYSULE-KRWDZBQOSA-N 2 2 353.511 0.175 10 0 FCAELP CCN(CC)C(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106121812 208212149 /nfs/dbraw/zinc/21/21/49/208212149.db2.gz BXVZHQXLSRKRKA-QZTJIDSGSA-N 2 2 354.539 0.970 10 0 FCAELP CCN(CC)C(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106121812 208212152 /nfs/dbraw/zinc/21/21/52/208212152.db2.gz BXVZHQXLSRKRKA-QZTJIDSGSA-N 2 2 354.539 0.970 10 0 FCAELP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109751454 208260603 /nfs/dbraw/zinc/26/06/03/208260603.db2.gz YRCGLFSNSNCDLD-SJORKVTESA-N 2 2 367.538 0.959 10 0 FCAELP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109751454 208260612 /nfs/dbraw/zinc/26/06/12/208260612.db2.gz YRCGLFSNSNCDLD-SJORKVTESA-N 2 2 367.538 0.959 10 0 FCAELP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC000115704309 208323700 /nfs/dbraw/zinc/32/37/00/208323700.db2.gz SOBRMKWOQNRGAT-ZACQAIPSSA-N 2 2 356.511 0.753 10 0 FCAELP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC000115704309 208323706 /nfs/dbraw/zinc/32/37/06/208323706.db2.gz SOBRMKWOQNRGAT-ZACQAIPSSA-N 2 2 356.511 0.753 10 0 FCAELP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC000115704309 208323710 /nfs/dbraw/zinc/32/37/10/208323710.db2.gz SOBRMKWOQNRGAT-ZACQAIPSSA-N 2 2 356.511 0.753 10 0 FCAELP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC000115704309 208323716 /nfs/dbraw/zinc/32/37/16/208323716.db2.gz SOBRMKWOQNRGAT-ZACQAIPSSA-N 2 2 356.511 0.753 10 0 FCAELP COCCCNC(=O)[C@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119590983 208365666 /nfs/dbraw/zinc/36/56/66/208365666.db2.gz IRZXSDOMUCUJMY-XNHLSEOASA-N 2 2 352.523 0.770 10 0 FCAELP COCCCNC(=O)[C@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119590983 208365672 /nfs/dbraw/zinc/36/56/72/208365672.db2.gz IRZXSDOMUCUJMY-XNHLSEOASA-N 2 2 352.523 0.770 10 0 FCAELP COCCCNC(=O)[C@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119590983 208365678 /nfs/dbraw/zinc/36/56/78/208365678.db2.gz IRZXSDOMUCUJMY-XNHLSEOASA-N 2 2 352.523 0.770 10 0 FCAELP COCCCNC(=O)[C@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119590983 208365683 /nfs/dbraw/zinc/36/56/83/208365683.db2.gz IRZXSDOMUCUJMY-XNHLSEOASA-N 2 2 352.523 0.770 10 0 FCAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000187734943 533209219 /nfs/dbraw/zinc/20/92/19/533209219.db2.gz UBLXJPXVNIVJNI-SJORKVTESA-N 2 2 361.490 0.117 10 0 FCAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000187734943 533209222 /nfs/dbraw/zinc/20/92/22/533209222.db2.gz UBLXJPXVNIVJNI-SJORKVTESA-N 2 2 361.490 0.117 10 0 FCAELP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCCNc1ccc2ccccc2[nH+]1 ZINC000631921915 484382384 /nfs/dbraw/zinc/38/23/84/484382384.db2.gz WYAZGBWUMRJASH-AWEZNQCLSA-N 2 2 350.444 0.555 10 0 FCAELP C[C@@H](O)CNc1cc(NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)nc[nH+]1 ZINC000528135388 484483340 /nfs/dbraw/zinc/48/33/40/484483340.db2.gz WQPWZAVMAMVAFM-CXAGYDPISA-N 2 2 351.451 0.297 10 0 FCAELP C[C@@H](O)CNc1cc(NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)nc[nH+]1 ZINC000528135388 484483348 /nfs/dbraw/zinc/48/33/48/484483348.db2.gz WQPWZAVMAMVAFM-CXAGYDPISA-N 2 2 351.451 0.297 10 0 FCAELP O=C(C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000278971487 488908052 /nfs/dbraw/zinc/90/80/52/488908052.db2.gz XWDHUDXVQIHWQX-GOSISDBHSA-N 2 2 362.499 0.604 10 0 FCAELP O=C(C[N@H+]1CC[C@@]2(CNC(=O)C2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000278971487 488908053 /nfs/dbraw/zinc/90/80/53/488908053.db2.gz XWDHUDXVQIHWQX-GOSISDBHSA-N 2 2 362.499 0.604 10 0 FCAELP CCn1ccnc1C[N@H+](CCCS(=O)(=O)NC)[C@H]1CC12CC[NH2+]CC2 ZINC000328605256 488922866 /nfs/dbraw/zinc/92/28/66/488922866.db2.gz MWYZCMJPFJKTQF-HNNXBMFYSA-N 2 2 369.535 0.786 10 0 FCAELP CCn1ccnc1C[N@@H+](CCCS(=O)(=O)NC)[C@H]1CC12CC[NH2+]CC2 ZINC000328605256 488922869 /nfs/dbraw/zinc/92/28/69/488922869.db2.gz MWYZCMJPFJKTQF-HNNXBMFYSA-N 2 2 369.535 0.786 10 0 FCAELP CN(C(=O)NCCCN1CCOC1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364277681 488943056 /nfs/dbraw/zinc/94/30/56/488943056.db2.gz DJGQQDBAUBVDDZ-MRXNPFEDSA-N 2 2 367.494 0.639 10 0 FCAELP CN(C(=O)NCCCN1CCOC1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364277681 488943057 /nfs/dbraw/zinc/94/30/57/488943057.db2.gz DJGQQDBAUBVDDZ-MRXNPFEDSA-N 2 2 367.494 0.639 10 0 FCAELP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000052589273 488173148 /nfs/dbraw/zinc/17/31/48/488173148.db2.gz GWEVVAOAEBAOTM-CYBMUJFWSA-N 2 2 358.450 0.289 10 0 FCAELP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000052589273 488173152 /nfs/dbraw/zinc/17/31/52/488173152.db2.gz GWEVVAOAEBAOTM-CYBMUJFWSA-N 2 2 358.450 0.289 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[NH+](CCO)CC2)CC1 ZINC000052876588 488185899 /nfs/dbraw/zinc/18/58/99/488185899.db2.gz QUYPZEOQMOIZCQ-GOSISDBHSA-N 2 2 360.502 0.502 10 0 FCAELP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000288343286 488972302 /nfs/dbraw/zinc/97/23/02/488972302.db2.gz YSKGIWBOMCVFPH-UHFFFAOYSA-N 2 2 351.451 0.200 10 0 FCAELP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000288343286 488972306 /nfs/dbraw/zinc/97/23/06/488972306.db2.gz YSKGIWBOMCVFPH-UHFFFAOYSA-N 2 2 351.451 0.200 10 0 FCAELP Cc1ccc2[nH+]c(CNC(=O)C(=O)N3CC[C@]4(C3)CCC[NH2+]C4)cn2c1 ZINC000562821282 491192554 /nfs/dbraw/zinc/19/25/54/491192554.db2.gz KEYPKRLTYLCFJT-LJQANCHMSA-N 2 2 355.442 0.861 10 0 FCAELP CC[C@H](CO)[NH+]1CCN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000072798227 488382732 /nfs/dbraw/zinc/38/27/32/488382732.db2.gz ZNUJPQMFPZMKOU-QGZVFWFLSA-N 2 2 364.490 0.312 10 0 FCAELP CC(C)(CNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000073484021 488384842 /nfs/dbraw/zinc/38/48/42/488384842.db2.gz KAODMIWQELVQAF-QGZVFWFLSA-N 2 2 368.522 0.994 10 0 FCAELP CC[NH+]1CCN(CC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC000073583247 488385107 /nfs/dbraw/zinc/38/51/07/488385107.db2.gz RYLWCHVJFLTBAK-HXUWFJFHSA-N 2 2 374.529 0.684 10 0 FCAELP CN(CCCN1CC[NH+](C)CC1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000182347623 488388066 /nfs/dbraw/zinc/38/80/66/488388066.db2.gz UCFNWIRPTHARJS-UHFFFAOYSA-N 2 2 355.527 0.378 10 0 FCAELP CN(CCC[NH+]1CCN(C)CC1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000182347623 488388069 /nfs/dbraw/zinc/38/80/69/488388069.db2.gz UCFNWIRPTHARJS-UHFFFAOYSA-N 2 2 355.527 0.378 10 0 FCAELP CC[C@H]1CN(C(=O)NC2CC[NH+](CCN(C)C)CC2)CC[N@H+]1C[C@@H](C)O ZINC000184807952 488397499 /nfs/dbraw/zinc/39/74/99/488397499.db2.gz FKVJPYJOQGVVMC-AEFFLSMTSA-N 2 2 369.554 0.499 10 0 FCAELP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000185016967 488398873 /nfs/dbraw/zinc/39/88/73/488398873.db2.gz LPBCYTBWBFLSJD-INIZCTEOSA-N 2 2 370.538 0.831 10 0 FCAELP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000185016967 488398875 /nfs/dbraw/zinc/39/88/75/488398875.db2.gz LPBCYTBWBFLSJD-INIZCTEOSA-N 2 2 370.538 0.831 10 0 FCAELP Cc1ccn2cc(CNC(=O)N3CC[NH+](CCC(=O)N(C)C)CC3)[nH+]c2c1 ZINC000268616748 488435952 /nfs/dbraw/zinc/43/59/52/488435952.db2.gz SSEJGNMXUNHZEX-UHFFFAOYSA-N 2 2 372.473 0.948 10 0 FCAELP C[N@@H+]1CCO[C@H](C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000081386759 488441997 /nfs/dbraw/zinc/44/19/97/488441997.db2.gz GPEWDXPHCWJRSJ-KRWDZBQOSA-N 2 2 360.458 0.781 10 0 FCAELP C[N@H+]1CCO[C@H](C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000081386759 488441999 /nfs/dbraw/zinc/44/19/99/488441999.db2.gz GPEWDXPHCWJRSJ-KRWDZBQOSA-N 2 2 360.458 0.781 10 0 FCAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000246241413 488471000 /nfs/dbraw/zinc/47/10/00/488471000.db2.gz DIDNQZSGNKRYEX-SJORKVTESA-N 2 2 361.490 0.381 10 0 FCAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000246241404 488471378 /nfs/dbraw/zinc/47/13/78/488471378.db2.gz DIDNQZSGNKRYEX-IRXDYDNUSA-N 2 2 361.490 0.381 10 0 FCAELP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000247012549 488480313 /nfs/dbraw/zinc/48/03/13/488480313.db2.gz OSJBAZSERQGSIB-MOPGFXCFSA-N 2 2 359.470 0.821 10 0 FCAELP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000247012549 488480314 /nfs/dbraw/zinc/48/03/14/488480314.db2.gz OSJBAZSERQGSIB-MOPGFXCFSA-N 2 2 359.470 0.821 10 0 FCAELP CC[C@@H]1CN(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC000247197878 488482514 /nfs/dbraw/zinc/48/25/14/488482514.db2.gz SVLKQWBUMWMKOF-YESZJQIVSA-N 2 2 356.511 0.848 10 0 FCAELP CC[C@@H]1CN(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC000247197878 488482516 /nfs/dbraw/zinc/48/25/16/488482516.db2.gz SVLKQWBUMWMKOF-YESZJQIVSA-N 2 2 356.511 0.848 10 0 FCAELP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC000247284019 488483412 /nfs/dbraw/zinc/48/34/12/488483412.db2.gz SOBRMKWOQNRGAT-IKGGRYGDSA-N 2 2 356.511 0.753 10 0 FCAELP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC000247284019 488483414 /nfs/dbraw/zinc/48/34/14/488483414.db2.gz SOBRMKWOQNRGAT-IKGGRYGDSA-N 2 2 356.511 0.753 10 0 FCAELP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC000247284019 488483415 /nfs/dbraw/zinc/48/34/15/488483415.db2.gz SOBRMKWOQNRGAT-IKGGRYGDSA-N 2 2 356.511 0.753 10 0 FCAELP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC000247284019 488483418 /nfs/dbraw/zinc/48/34/18/488483418.db2.gz SOBRMKWOQNRGAT-IKGGRYGDSA-N 2 2 356.511 0.753 10 0 FCAELP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247469916 488486476 /nfs/dbraw/zinc/48/64/76/488486476.db2.gz GRWLGCXGIJCWBH-RDJZCZTQSA-N 2 2 354.520 0.684 10 0 FCAELP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247469916 488486478 /nfs/dbraw/zinc/48/64/78/488486478.db2.gz GRWLGCXGIJCWBH-RDJZCZTQSA-N 2 2 354.520 0.684 10 0 FCAELP CC[C@@H]1CN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC[N@@H+]1C[C@H](C)O ZINC000248455171 488496626 /nfs/dbraw/zinc/49/66/26/488496626.db2.gz HTAJQHQHVALVKQ-VVLHAWIVSA-N 2 2 356.511 0.582 10 0 FCAELP CC[C@@H]1CN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC[N@H+]1C[C@H](C)O ZINC000248455171 488496627 /nfs/dbraw/zinc/49/66/27/488496627.db2.gz HTAJQHQHVALVKQ-VVLHAWIVSA-N 2 2 356.511 0.582 10 0 FCAELP CC[C@@H]1CN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC[N@@H+]1C[C@@H](C)O ZINC000248455177 488496848 /nfs/dbraw/zinc/49/68/48/488496848.db2.gz HTAJQHQHVALVKQ-WCXIOVBPSA-N 2 2 356.511 0.582 10 0 FCAELP CC[C@@H]1CN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC[N@H+]1C[C@@H](C)O ZINC000248455177 488496850 /nfs/dbraw/zinc/49/68/50/488496850.db2.gz HTAJQHQHVALVKQ-WCXIOVBPSA-N 2 2 356.511 0.582 10 0 FCAELP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)CC1 ZINC000248594215 488498710 /nfs/dbraw/zinc/49/87/10/488498710.db2.gz LWJJVEMIOAIBMQ-ARFHVFGLSA-N 2 2 366.506 0.996 10 0 FCAELP C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)CC1 ZINC000248594215 488498712 /nfs/dbraw/zinc/49/87/12/488498712.db2.gz LWJJVEMIOAIBMQ-ARFHVFGLSA-N 2 2 366.506 0.996 10 0 FCAELP C[C@]1(C(N)=O)CCCC[NH+]1CC1(C[N@H+]2CCCC[C@]2(C)C(N)=O)COC1 ZINC000248618521 488499742 /nfs/dbraw/zinc/49/97/42/488499742.db2.gz SJWFYQDMXHRDHM-QZTJIDSGSA-N 2 2 366.506 0.463 10 0 FCAELP C[C@]1(C(N)=O)CCCC[NH+]1CC1(C[N@@H+]2CCCC[C@]2(C)C(N)=O)COC1 ZINC000248618521 488499744 /nfs/dbraw/zinc/49/97/44/488499744.db2.gz SJWFYQDMXHRDHM-QZTJIDSGSA-N 2 2 366.506 0.463 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H](C)c2nnc3ccccn32)C1 ZINC000249355898 488509223 /nfs/dbraw/zinc/50/92/23/488509223.db2.gz YMXISNUSORQBEA-CVEARBPZSA-N 2 2 374.489 0.853 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H](C)c2nnc3ccccn32)C1 ZINC000249355898 488509225 /nfs/dbraw/zinc/50/92/25/488509225.db2.gz YMXISNUSORQBEA-CVEARBPZSA-N 2 2 374.489 0.853 10 0 FCAELP C[N@H+](C[C@H](O)CN1CCCC1=O)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249549271 488511662 /nfs/dbraw/zinc/51/16/62/488511662.db2.gz HHHLYUMYTRELDC-ICSRJNTNSA-N 2 2 361.486 0.539 10 0 FCAELP C[N@@H+](C[C@H](O)CN1CCCC1=O)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249549271 488511664 /nfs/dbraw/zinc/51/16/64/488511664.db2.gz HHHLYUMYTRELDC-ICSRJNTNSA-N 2 2 361.486 0.539 10 0 FCAELP C[NH+](C[C@H](O)CN1CCCC1=O)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249549271 488511666 /nfs/dbraw/zinc/51/16/66/488511666.db2.gz HHHLYUMYTRELDC-ICSRJNTNSA-N 2 2 361.486 0.539 10 0 FCAELP C[NH+](C[C@H](O)CN1CCCC1=O)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249549271 488511668 /nfs/dbraw/zinc/51/16/68/488511668.db2.gz HHHLYUMYTRELDC-ICSRJNTNSA-N 2 2 361.486 0.539 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](C)C[C@@H]2C(N)=O)C1 ZINC000249555474 488512243 /nfs/dbraw/zinc/51/22/43/488512243.db2.gz JNXNRYCAIBISSX-ARFHVFGLSA-N 2 2 354.495 0.045 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](C)C[C@@H]2C(N)=O)C1 ZINC000249555474 488512244 /nfs/dbraw/zinc/51/22/44/488512244.db2.gz JNXNRYCAIBISSX-ARFHVFGLSA-N 2 2 354.495 0.045 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C[C@@H]2C(N)=O)C1 ZINC000249555474 488512245 /nfs/dbraw/zinc/51/22/45/488512245.db2.gz JNXNRYCAIBISSX-ARFHVFGLSA-N 2 2 354.495 0.045 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C[C@@H]2C(N)=O)C1 ZINC000249555474 488512246 /nfs/dbraw/zinc/51/22/46/488512246.db2.gz JNXNRYCAIBISSX-ARFHVFGLSA-N 2 2 354.495 0.045 10 0 FCAELP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000249757917 488514624 /nfs/dbraw/zinc/51/46/24/488514624.db2.gz IUOKMOYNYNADQV-RDJZCZTQSA-N 2 2 356.536 0.978 10 0 FCAELP CC[N@H+]1CCC[C@H](NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000249757917 488514625 /nfs/dbraw/zinc/51/46/25/488514625.db2.gz IUOKMOYNYNADQV-RDJZCZTQSA-N 2 2 356.536 0.978 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]CCC(=O)Nc2cccnc2)C1=O ZINC000563012289 491207897 /nfs/dbraw/zinc/20/78/97/491207897.db2.gz WVRWPUMCHQYTAI-HNNXBMFYSA-N 2 2 356.430 0.925 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)ccc2[nH+]1 ZINC000271633384 488533623 /nfs/dbraw/zinc/53/36/23/488533623.db2.gz JYRMNJINKALFLB-CQSZACIVSA-N 2 2 372.473 0.581 10 0 FCAELP COCC[N@@H+]1CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000117474800 488551336 /nfs/dbraw/zinc/55/13/36/488551336.db2.gz XHYKAAISUNSIEC-ROUUACIJSA-N 2 2 369.554 0.621 10 0 FCAELP COCC[N@H+]1CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000117474800 488551340 /nfs/dbraw/zinc/55/13/40/488551340.db2.gz XHYKAAISUNSIEC-ROUUACIJSA-N 2 2 369.554 0.621 10 0 FCAELP COCC[N@@H+]1CCN(C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000117474800 488551342 /nfs/dbraw/zinc/55/13/42/488551342.db2.gz XHYKAAISUNSIEC-ROUUACIJSA-N 2 2 369.554 0.621 10 0 FCAELP COCC[N@H+]1CCN(C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000117474800 488551344 /nfs/dbraw/zinc/55/13/44/488551344.db2.gz XHYKAAISUNSIEC-ROUUACIJSA-N 2 2 369.554 0.621 10 0 FCAELP CCCNC(=O)CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000121353237 488566747 /nfs/dbraw/zinc/56/67/47/488566747.db2.gz BWSFTBPBCFQJJJ-XYPWUTKMSA-N 2 2 351.495 0.465 10 0 FCAELP CCCNC(=O)CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000121353237 488566748 /nfs/dbraw/zinc/56/67/48/488566748.db2.gz BWSFTBPBCFQJJJ-XYPWUTKMSA-N 2 2 351.495 0.465 10 0 FCAELP C[C@@H](CNC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000121637207 488569697 /nfs/dbraw/zinc/56/96/97/488569697.db2.gz DPIQZELJFDBMDF-INIZCTEOSA-N 2 2 356.511 0.707 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H]([NH+](C)CC(=O)[O-])CC2)CC1 ZINC000262543011 488576502 /nfs/dbraw/zinc/57/65/02/488576502.db2.gz RXCDANIOHLTMQX-JKSUJKDBSA-N 2 2 354.495 0.410 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H]([NH+](C)CC(=O)[O-])CC2)CC1 ZINC000262543011 488576504 /nfs/dbraw/zinc/57/65/04/488576504.db2.gz RXCDANIOHLTMQX-JKSUJKDBSA-N 2 2 354.495 0.410 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC[C@@H]([N@H+](C)CC(=O)[O-])CC2)CC1 ZINC000262543011 488576506 /nfs/dbraw/zinc/57/65/06/488576506.db2.gz RXCDANIOHLTMQX-JKSUJKDBSA-N 2 2 354.495 0.410 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC2)CC1 ZINC000262543011 488576509 /nfs/dbraw/zinc/57/65/09/488576509.db2.gz RXCDANIOHLTMQX-JKSUJKDBSA-N 2 2 354.495 0.410 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H]([NH+](C)CC(=O)[O-])CC2)CC1 ZINC000262543009 488576741 /nfs/dbraw/zinc/57/67/41/488576741.db2.gz RXCDANIOHLTMQX-HZPDHXFCSA-N 2 2 354.495 0.410 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H]([NH+](C)CC(=O)[O-])CC2)CC1 ZINC000262543009 488576744 /nfs/dbraw/zinc/57/67/44/488576744.db2.gz RXCDANIOHLTMQX-HZPDHXFCSA-N 2 2 354.495 0.410 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC[C@@H]([N@H+](C)CC(=O)[O-])CC2)CC1 ZINC000262543009 488576745 /nfs/dbraw/zinc/57/67/45/488576745.db2.gz RXCDANIOHLTMQX-HZPDHXFCSA-N 2 2 354.495 0.410 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC2)CC1 ZINC000262543009 488576747 /nfs/dbraw/zinc/57/67/47/488576747.db2.gz RXCDANIOHLTMQX-HZPDHXFCSA-N 2 2 354.495 0.410 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000123183033 488583437 /nfs/dbraw/zinc/58/34/37/488583437.db2.gz SHEOMPXMYJICCX-RCCFBDPRSA-N 3 2 354.539 0.874 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000123183033 488583439 /nfs/dbraw/zinc/58/34/39/488583439.db2.gz SHEOMPXMYJICCX-RCCFBDPRSA-N 3 2 354.539 0.874 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000123183033 488583442 /nfs/dbraw/zinc/58/34/42/488583442.db2.gz SHEOMPXMYJICCX-RCCFBDPRSA-N 3 2 354.539 0.874 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000123183033 488583444 /nfs/dbraw/zinc/58/34/44/488583444.db2.gz SHEOMPXMYJICCX-RCCFBDPRSA-N 3 2 354.539 0.874 10 0 FCAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[N@@H+]1C ZINC000123949623 488588890 /nfs/dbraw/zinc/58/88/90/488588890.db2.gz MZUXNAVBQJBGDW-JSGCOSHPSA-N 2 2 354.476 0.687 10 0 FCAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[N@H+]1C ZINC000123949623 488588891 /nfs/dbraw/zinc/58/88/91/488588891.db2.gz MZUXNAVBQJBGDW-JSGCOSHPSA-N 2 2 354.476 0.687 10 0 FCAELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[NH+]1C ZINC000123949623 488588893 /nfs/dbraw/zinc/58/88/93/488588893.db2.gz MZUXNAVBQJBGDW-JSGCOSHPSA-N 2 2 354.476 0.687 10 0 FCAELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[NH+]1C ZINC000123949623 488588895 /nfs/dbraw/zinc/58/88/95/488588895.db2.gz MZUXNAVBQJBGDW-JSGCOSHPSA-N 2 2 354.476 0.687 10 0 FCAELP CN1C[C@@H](NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CCC1=O ZINC000126029783 488605976 /nfs/dbraw/zinc/60/59/76/488605976.db2.gz BEGBBHWGCJLYBC-PMRDEQMMSA-N 2 2 363.506 0.560 10 0 FCAELP CN1C[C@@H](NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CCC1=O ZINC000126029783 488605977 /nfs/dbraw/zinc/60/59/77/488605977.db2.gz BEGBBHWGCJLYBC-PMRDEQMMSA-N 2 2 363.506 0.560 10 0 FCAELP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)c1 ZINC000263230783 488607075 /nfs/dbraw/zinc/60/70/75/488607075.db2.gz NJNIPJPVLGCCDW-CQSZACIVSA-N 2 2 354.401 0.591 10 0 FCAELP C[NH+]1CCN(c2ncc(C[NH+]3CCN(c4cccnn4)CC3)cn2)CC1 ZINC000127977927 488621216 /nfs/dbraw/zinc/62/12/16/488621216.db2.gz XTYIKWGUNASHSI-UHFFFAOYSA-N 2 2 354.462 0.341 10 0 FCAELP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000128106949 488622132 /nfs/dbraw/zinc/62/21/32/488622132.db2.gz JNKXBWVYKLXGKP-CQSZACIVSA-N 2 2 361.442 0.917 10 0 FCAELP CNC(=O)C(C)(C)CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000128369295 488624284 /nfs/dbraw/zinc/62/42/84/488624284.db2.gz QYNGVUUWDNRRJI-XYPWUTKMSA-N 2 2 365.522 0.711 10 0 FCAELP CNC(=O)C(C)(C)CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000128369295 488624285 /nfs/dbraw/zinc/62/42/85/488624285.db2.gz QYNGVUUWDNRRJI-XYPWUTKMSA-N 2 2 365.522 0.711 10 0 FCAELP CC(C)Cn1c(N)c(C(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(=O)[nH]c1=O ZINC000266795766 488731059 /nfs/dbraw/zinc/73/10/59/488731059.db2.gz XZVUNSMPTCRXBU-UHFFFAOYSA-N 2 2 374.445 0.973 10 0 FCAELP C[N@H+](CC(=O)NCC1CC1)[C@H]1CCC[NH+](CC(=O)NCC2CC2)CC1 ZINC000156979222 488768662 /nfs/dbraw/zinc/76/86/62/488768662.db2.gz AFVJCONHCOYPKI-KRWDZBQOSA-N 2 2 350.507 0.825 10 0 FCAELP C[N@@H+](CC(=O)NCC1CC1)[C@H]1CCC[NH+](CC(=O)NCC2CC2)CC1 ZINC000156979222 488768664 /nfs/dbraw/zinc/76/86/64/488768664.db2.gz AFVJCONHCOYPKI-KRWDZBQOSA-N 2 2 350.507 0.825 10 0 FCAELP C[NH+](CC(=O)NCC1CC1)[C@H]1CCC[N@H+](CC(=O)NCC2CC2)CC1 ZINC000156979222 488768665 /nfs/dbraw/zinc/76/86/65/488768665.db2.gz AFVJCONHCOYPKI-KRWDZBQOSA-N 2 2 350.507 0.825 10 0 FCAELP C[NH+](CC(=O)NCC1CC1)[C@H]1CCC[N@@H+](CC(=O)NCC2CC2)CC1 ZINC000156979222 488768667 /nfs/dbraw/zinc/76/86/67/488768667.db2.gz AFVJCONHCOYPKI-KRWDZBQOSA-N 2 2 350.507 0.825 10 0 FCAELP C[C@@H]1C[N@@H+](C2CCN(C(=O)NCC[NH+]3CCOCC3(C)C)CC2)CCO1 ZINC000170837349 488816728 /nfs/dbraw/zinc/81/67/28/488816728.db2.gz PTDBNAPKMFYDIO-MRXNPFEDSA-N 2 2 368.522 0.992 10 0 FCAELP C[C@@H]1C[N@H+](C2CCN(C(=O)NCC[NH+]3CCOCC3(C)C)CC2)CCO1 ZINC000170837349 488816729 /nfs/dbraw/zinc/81/67/29/488816729.db2.gz PTDBNAPKMFYDIO-MRXNPFEDSA-N 2 2 368.522 0.992 10 0 FCAELP C[C@@H]1C[NH+](C2CCN(C(=O)NCC[N@@H+]3CCOCC3(C)C)CC2)CCO1 ZINC000170837349 488816730 /nfs/dbraw/zinc/81/67/30/488816730.db2.gz PTDBNAPKMFYDIO-MRXNPFEDSA-N 2 2 368.522 0.992 10 0 FCAELP C[C@@H]1C[NH+](C2CCN(C(=O)NCC[N@H+]3CCOCC3(C)C)CC2)CCO1 ZINC000170837349 488816731 /nfs/dbraw/zinc/81/67/31/488816731.db2.gz PTDBNAPKMFYDIO-MRXNPFEDSA-N 2 2 368.522 0.992 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCCN(Cc3noc(C)n3)CC2)CC1 ZINC000170943133 488818485 /nfs/dbraw/zinc/81/84/85/488818485.db2.gz ROCHSZKNASRDDF-HNNXBMFYSA-N 2 2 364.494 0.438 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCCN(Cc3noc(C)n3)CC2)CC1 ZINC000170943133 488818486 /nfs/dbraw/zinc/81/84/86/488818486.db2.gz ROCHSZKNASRDDF-HNNXBMFYSA-N 2 2 364.494 0.438 10 0 FCAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NCCCN1CCCC1=O ZINC000171645060 488824931 /nfs/dbraw/zinc/82/49/31/488824931.db2.gz MKUHSRIRMSCXQL-INIZCTEOSA-N 2 2 359.474 0.944 10 0 FCAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NCCCN1CCCC1=O ZINC000171645060 488824932 /nfs/dbraw/zinc/82/49/32/488824932.db2.gz MKUHSRIRMSCXQL-INIZCTEOSA-N 2 2 359.474 0.944 10 0 FCAELP C[NH+]1CCN(c2cc(C(=O)N3CC[C@H]([NH+]4CCOCC4)C3)ccn2)CC1 ZINC000172749694 488837424 /nfs/dbraw/zinc/83/74/24/488837424.db2.gz XFANUWFVFPSLHB-KRWDZBQOSA-N 2 2 359.474 0.380 10 0 FCAELP Cn1cc[nH+]c1CN1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000563160326 491223872 /nfs/dbraw/zinc/22/38/72/491223872.db2.gz NNUDMBFWXSNDPT-UHFFFAOYSA-N 2 2 357.462 0.040 10 0 FCAELP C[NH+]1CCN(Cc2cccc(C(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)c2)CC1 ZINC000173329835 488842293 /nfs/dbraw/zinc/84/22/93/488842293.db2.gz QWQZHVBRCOPVFD-HXUWFJFHSA-N 2 2 372.513 0.981 10 0 FCAELP CC(C)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[NH+]1CCOCC1 ZINC000173772851 488845297 /nfs/dbraw/zinc/84/52/97/488845297.db2.gz IHBDVOTVDSXBJD-SJORKVTESA-N 2 2 354.495 0.459 10 0 FCAELP C[C@H](CNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1)[NH+]1CCOCC1 ZINC000173825328 488845580 /nfs/dbraw/zinc/84/55/80/488845580.db2.gz KLWWLFSXZHMIEV-QGZVFWFLSA-N 2 2 368.522 0.994 10 0 FCAELP C[NH+]1CCN(c2cc(C(=O)N3CC[C@@H](C[NH+]4CCOCC4)C3)ccn2)CC1 ZINC000174177562 488847727 /nfs/dbraw/zinc/84/77/27/488847727.db2.gz NXTJLPFMXNBWMN-KRWDZBQOSA-N 2 2 373.501 0.628 10 0 FCAELP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000174869566 488851627 /nfs/dbraw/zinc/85/16/27/488851627.db2.gz UAXDIMXBYXKKJY-GOSISDBHSA-N 2 2 373.501 0.573 10 0 FCAELP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000174869566 488851628 /nfs/dbraw/zinc/85/16/28/488851628.db2.gz UAXDIMXBYXKKJY-GOSISDBHSA-N 2 2 373.501 0.573 10 0 FCAELP C[NH+](C)C1CC[NH+](CCNC(=O)NCCNC(=O)c2ccccc2)CC1 ZINC000175578179 488854677 /nfs/dbraw/zinc/85/46/77/488854677.db2.gz XQQZPNURKDQREW-UHFFFAOYSA-N 2 2 361.490 0.742 10 0 FCAELP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CC[N@H+](CCOC)[C@H](C)C2)CC1 ZINC000175813715 488855882 /nfs/dbraw/zinc/85/58/82/488855882.db2.gz YGSHIGSFZHJUBU-ZWKOTPCHSA-N 2 2 369.554 0.622 10 0 FCAELP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CC[N@@H+](CCOC)[C@H](C)C2)CC1 ZINC000175813715 488855883 /nfs/dbraw/zinc/85/58/83/488855883.db2.gz YGSHIGSFZHJUBU-ZWKOTPCHSA-N 2 2 369.554 0.622 10 0 FCAELP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CC[N@H+](CCOC)[C@H](C)C2)CC1 ZINC000175813715 488855884 /nfs/dbraw/zinc/85/58/84/488855884.db2.gz YGSHIGSFZHJUBU-ZWKOTPCHSA-N 2 2 369.554 0.622 10 0 FCAELP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CC[N@@H+](CCOC)[C@H](C)C2)CC1 ZINC000175813715 488855885 /nfs/dbraw/zinc/85/58/85/488855885.db2.gz YGSHIGSFZHJUBU-ZWKOTPCHSA-N 2 2 369.554 0.622 10 0 FCAELP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)CC1 ZINC000180761337 488862356 /nfs/dbraw/zinc/86/23/56/488862356.db2.gz QTOQGKKOOQBQQV-KZNAEPCWSA-N 2 2 369.554 0.357 10 0 FCAELP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)CC1 ZINC000180761337 488862357 /nfs/dbraw/zinc/86/23/57/488862357.db2.gz QTOQGKKOOQBQQV-KZNAEPCWSA-N 2 2 369.554 0.357 10 0 FCAELP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)CC1 ZINC000180761337 488862358 /nfs/dbraw/zinc/86/23/58/488862358.db2.gz QTOQGKKOOQBQQV-KZNAEPCWSA-N 2 2 369.554 0.357 10 0 FCAELP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)CC1 ZINC000180761337 488862359 /nfs/dbraw/zinc/86/23/59/488862359.db2.gz QTOQGKKOOQBQQV-KZNAEPCWSA-N 2 2 369.554 0.357 10 0 FCAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000182053674 488863961 /nfs/dbraw/zinc/86/39/61/488863961.db2.gz LDPIRHFZNKRVNE-QGZVFWFLSA-N 3 2 355.527 0.111 10 0 FCAELP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cn1 ZINC000364625674 488979785 /nfs/dbraw/zinc/97/97/85/488979785.db2.gz VAGGPZVCWCYEBC-CYBMUJFWSA-N 2 2 372.429 0.039 10 0 FCAELP C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](C[NH2+][C@@H]2CCCOC2)CC3)CC1 ZINC000365176902 489046029 /nfs/dbraw/zinc/04/60/29/489046029.db2.gz BNDYCXYGLNUQFY-JKSUJKDBSA-N 2 2 361.490 0.602 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@@H]3C)CC2)cc[nH+]1 ZINC000289223584 489050800 /nfs/dbraw/zinc/05/08/00/489050800.db2.gz ZJZZNOUNRWIIAU-XJKSGUPXSA-N 2 2 372.473 0.033 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)CC2)cc[nH+]1 ZINC000289223584 489050803 /nfs/dbraw/zinc/05/08/03/489050803.db2.gz ZJZZNOUNRWIIAU-XJKSGUPXSA-N 2 2 372.473 0.033 10 0 FCAELP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000570306294 491231961 /nfs/dbraw/zinc/23/19/61/491231961.db2.gz JHINJCFKNGCMFL-ZWKOTPCHSA-N 2 2 368.547 0.979 10 0 FCAELP COC[C@H](C)OC[C@H](O)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000365711372 489102998 /nfs/dbraw/zinc/10/29/98/489102998.db2.gz KRGXZYPWAFAWDV-DFQSSKMNSA-N 2 2 366.502 0.968 10 0 FCAELP COC[C@H](C)OC[C@H](O)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000365711372 489103000 /nfs/dbraw/zinc/10/30/00/489103000.db2.gz KRGXZYPWAFAWDV-DFQSSKMNSA-N 2 2 366.502 0.968 10 0 FCAELP COC[C@H](C)OC[C@H](O)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000365711372 489103003 /nfs/dbraw/zinc/10/30/03/489103003.db2.gz KRGXZYPWAFAWDV-DFQSSKMNSA-N 2 2 366.502 0.968 10 0 FCAELP COC[C@H](C)OC[C@H](O)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000365711372 489103007 /nfs/dbraw/zinc/10/30/07/489103007.db2.gz KRGXZYPWAFAWDV-DFQSSKMNSA-N 2 2 366.502 0.968 10 0 FCAELP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000570329077 491234145 /nfs/dbraw/zinc/23/41/45/491234145.db2.gz GHFQSEQSURHNRZ-OAHLLOKOSA-N 2 2 371.445 0.364 10 0 FCAELP CC(C)(C)[C@@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H]1O ZINC000330708544 489135828 /nfs/dbraw/zinc/13/58/28/489135828.db2.gz NQKOJKTYLYVCGK-CVEARBPZSA-N 2 2 355.523 0.942 10 0 FCAELP CC(C)(C)[C@@H]1CC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H]1O ZINC000330708544 489135831 /nfs/dbraw/zinc/13/58/31/489135831.db2.gz NQKOJKTYLYVCGK-CVEARBPZSA-N 2 2 355.523 0.942 10 0 FCAELP Cn1cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(=O)n(C)c1=O ZINC000282416826 489162102 /nfs/dbraw/zinc/16/21/02/489162102.db2.gz DLYCLIAVZMVMLD-AWEZNQCLSA-N 2 2 357.458 0.996 10 0 FCAELP Cn1cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(=O)n(C)c1=O ZINC000282416826 489162105 /nfs/dbraw/zinc/16/21/05/489162105.db2.gz DLYCLIAVZMVMLD-AWEZNQCLSA-N 2 2 357.458 0.996 10 0 FCAELP CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)S(C)(=O)=O ZINC000366482080 489188274 /nfs/dbraw/zinc/18/82/74/489188274.db2.gz MBXIMQRTFCUAJC-QGZVFWFLSA-N 2 2 374.551 0.190 10 0 FCAELP CC(C)N(CCCNC(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)S(C)(=O)=O ZINC000366482080 489188276 /nfs/dbraw/zinc/18/82/76/489188276.db2.gz MBXIMQRTFCUAJC-QGZVFWFLSA-N 2 2 374.551 0.190 10 0 FCAELP CC(C)N(CCCNC(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC000366482080 489188279 /nfs/dbraw/zinc/18/82/79/489188279.db2.gz MBXIMQRTFCUAJC-QGZVFWFLSA-N 2 2 374.551 0.190 10 0 FCAELP CC(C)N(CCCNC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)S(C)(=O)=O ZINC000366482080 489188282 /nfs/dbraw/zinc/18/82/82/489188282.db2.gz MBXIMQRTFCUAJC-QGZVFWFLSA-N 2 2 374.551 0.190 10 0 FCAELP C[NH+]1CCN(CCNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1(C)C ZINC000332754789 489225269 /nfs/dbraw/zinc/22/52/69/489225269.db2.gz KAEKWCGPFIBTDC-HOTGVXAUSA-N 2 2 353.511 0.127 10 0 FCAELP C[NH+]1CCN(CCNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1(C)C ZINC000332754789 489225272 /nfs/dbraw/zinc/22/52/72/489225272.db2.gz KAEKWCGPFIBTDC-HOTGVXAUSA-N 2 2 353.511 0.127 10 0 FCAELP C[NH+]1CCO[C@H]2CCN(C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C[C@@H]21 ZINC000332754789 489225276 /nfs/dbraw/zinc/22/52/76/489225276.db2.gz KAEKWCGPFIBTDC-HOTGVXAUSA-N 2 2 353.511 0.127 10 0 FCAELP C[NH+]1CCO[C@H]2CCN(C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)C[C@@H]21 ZINC000332754789 489225277 /nfs/dbraw/zinc/22/52/77/489225277.db2.gz KAEKWCGPFIBTDC-HOTGVXAUSA-N 2 2 353.511 0.127 10 0 FCAELP C[C@H]1C[C@H](N(C)C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)CC[N@@H+]1C ZINC000284081561 489300903 /nfs/dbraw/zinc/30/09/03/489300903.db2.gz SOHVGZLZYSUACT-GOEBONIOSA-N 2 2 357.458 0.934 10 0 FCAELP C[C@H]1C[C@H](N(C)C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)CC[N@H+]1C ZINC000284081561 489300905 /nfs/dbraw/zinc/30/09/05/489300905.db2.gz SOHVGZLZYSUACT-GOEBONIOSA-N 2 2 357.458 0.934 10 0 FCAELP Cn1ccc(C[NH2+]C[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)n1 ZINC000370230850 489332093 /nfs/dbraw/zinc/33/20/93/489332093.db2.gz PKZDOWMUSFABRD-HNNXBMFYSA-N 2 2 371.489 0.356 10 0 FCAELP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000285933181 489335359 /nfs/dbraw/zinc/33/53/59/489335359.db2.gz HENOAFQWVCLSIS-GOEBONIOSA-N 2 2 359.474 0.778 10 0 FCAELP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000285933181 489335363 /nfs/dbraw/zinc/33/53/63/489335363.db2.gz HENOAFQWVCLSIS-GOEBONIOSA-N 2 2 359.474 0.778 10 0 FCAELP C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000555412117 491249875 /nfs/dbraw/zinc/24/98/75/491249875.db2.gz XWGUUXINUXUDJY-ZMSDIMECSA-N 2 2 361.490 0.600 10 0 FCAELP C[NH+]1CCN(c2cc(C(=O)N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)ccn2)CC1 ZINC000363129740 489427549 /nfs/dbraw/zinc/42/75/49/489427549.db2.gz LDLWBAOUVJUGDN-ROUUACIJSA-N 2 2 373.501 0.505 10 0 FCAELP C[NH+]1CCC(CNC(=O)c2[nH]c(=O)[nH]c(=O)c2N)([NH+]2CCCCC2)CC1 ZINC000363303199 489450035 /nfs/dbraw/zinc/45/00/35/489450035.db2.gz XENQJWGYEYOQBS-UHFFFAOYSA-N 2 2 364.450 0.150 10 0 FCAELP CN(CC[N@H+](C)CC(=O)N1CCOC[C@@H]1C1CC1)C1CC[NH+](C)CC1 ZINC000371432395 489484391 /nfs/dbraw/zinc/48/43/91/489484391.db2.gz ROTOHBQLDBIIIK-GOSISDBHSA-N 2 2 352.523 0.582 10 0 FCAELP CN(CC[N@@H+](C)CC(=O)N1CCOC[C@@H]1C1CC1)C1CC[NH+](C)CC1 ZINC000371432395 489484392 /nfs/dbraw/zinc/48/43/92/489484392.db2.gz ROTOHBQLDBIIIK-GOSISDBHSA-N 2 2 352.523 0.582 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000371432395 489484393 /nfs/dbraw/zinc/48/43/93/489484393.db2.gz ROTOHBQLDBIIIK-GOSISDBHSA-N 2 2 352.523 0.582 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000371432395 489484394 /nfs/dbraw/zinc/48/43/94/489484394.db2.gz ROTOHBQLDBIIIK-GOSISDBHSA-N 2 2 352.523 0.582 10 0 FCAELP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCN4CCOC[C@@H]4C3)CC2)c1 ZINC000371828379 489514951 /nfs/dbraw/zinc/51/49/51/489514951.db2.gz HXACFWSHWAJUQK-FQEVSTJZSA-N 2 2 372.513 0.656 10 0 FCAELP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCN4CCOC[C@@H]4C3)CC2)c1 ZINC000371828379 489514953 /nfs/dbraw/zinc/51/49/53/489514953.db2.gz HXACFWSHWAJUQK-FQEVSTJZSA-N 2 2 372.513 0.656 10 0 FCAELP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H](C)[C@H](C)[NH3+])cc2)CC1 ZINC000415782647 489552889 /nfs/dbraw/zinc/55/28/89/489552889.db2.gz KXHMYFRAZNNPBP-LSDHHAIUSA-N 2 2 361.490 0.615 10 0 FCAELP CC(C)CN(C(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000563673934 491262538 /nfs/dbraw/zinc/26/25/38/491262538.db2.gz VXBYADSRCAJJAN-WBTNSWJXSA-N 2 2 359.536 0.634 10 0 FCAELP [NH3+][C@H](CNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)c1ccccc1 ZINC000417706102 489662117 /nfs/dbraw/zinc/66/21/17/489662117.db2.gz MVIPQMMENDTURM-GOSISDBHSA-N 2 2 373.501 0.930 10 0 FCAELP C[NH2+]C[C@H]1CCCN1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000417716931 489662842 /nfs/dbraw/zinc/66/28/42/489662842.db2.gz USUUIZVMSSHCRF-MRXNPFEDSA-N 2 2 351.495 0.324 10 0 FCAELP CC(C)([NH3+])CNC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000418799480 489730112 /nfs/dbraw/zinc/73/01/12/489730112.db2.gz IBBMTKOWRGPMOC-LBPRGKRZSA-N 2 2 368.428 0.899 10 0 FCAELP CC(C)([NH3+])CNC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000418799480 489730116 /nfs/dbraw/zinc/73/01/16/489730116.db2.gz IBBMTKOWRGPMOC-LBPRGKRZSA-N 2 2 368.428 0.899 10 0 FCAELP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000418822633 489738967 /nfs/dbraw/zinc/73/89/67/489738967.db2.gz AXMIWJQOFFQAGU-QZTJIDSGSA-N 2 2 374.485 0.262 10 0 FCAELP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000418822633 489738969 /nfs/dbraw/zinc/73/89/69/489738969.db2.gz AXMIWJQOFFQAGU-QZTJIDSGSA-N 2 2 374.485 0.262 10 0 FCAELP CC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000418866115 489764836 /nfs/dbraw/zinc/76/48/36/489764836.db2.gz MOVTWTANGHJJHG-UKRRQHHQSA-N 2 2 372.391 0.773 10 0 FCAELP CC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000418865954 489764847 /nfs/dbraw/zinc/76/48/47/489764847.db2.gz MADGSXJRRHMWPJ-DZGCQCFKSA-N 2 2 372.391 0.820 10 0 FCAELP CC[N@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000418865954 489764852 /nfs/dbraw/zinc/76/48/52/489764852.db2.gz MADGSXJRRHMWPJ-DZGCQCFKSA-N 2 2 372.391 0.820 10 0 FCAELP CC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000418868869 489767059 /nfs/dbraw/zinc/76/70/59/489767059.db2.gz QGRBWQVIOBQTMG-DVJZZOLTSA-N 2 2 372.391 0.819 10 0 FCAELP CC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000418868869 489767063 /nfs/dbraw/zinc/76/70/63/489767063.db2.gz QGRBWQVIOBQTMG-DVJZZOLTSA-N 2 2 372.391 0.819 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@H]1c1ccc(Cl)cc1 ZINC000418906109 489784681 /nfs/dbraw/zinc/78/46/81/489784681.db2.gz KOBZIUYNXRMWNM-RBSFLKMASA-N 2 2 350.850 0.761 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@H]1c1ccc(Cl)cc1 ZINC000418906109 489784684 /nfs/dbraw/zinc/78/46/84/489784684.db2.gz KOBZIUYNXRMWNM-RBSFLKMASA-N 2 2 350.850 0.761 10 0 FCAELP C[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000418907057 489785142 /nfs/dbraw/zinc/78/51/42/489785142.db2.gz LQCOVRNVYVZNSG-KBPBESRZSA-N 2 2 356.829 0.676 10 0 FCAELP C[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000418907057 489785145 /nfs/dbraw/zinc/78/51/45/489785145.db2.gz LQCOVRNVYVZNSG-KBPBESRZSA-N 2 2 356.829 0.676 10 0 FCAELP O=C(NCc1ccccc1Cn1cc[nH+]c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418910306 489786399 /nfs/dbraw/zinc/78/63/99/489786399.db2.gz UKROFKUOSWOJKC-HDICACEKSA-N 2 2 367.453 0.901 10 0 FCAELP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418911592 489787202 /nfs/dbraw/zinc/78/72/02/489787202.db2.gz QLPSNRUNHTVDAX-HUUCEWRRSA-N 2 2 354.401 0.504 10 0 FCAELP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418911592 489787205 /nfs/dbraw/zinc/78/72/05/489787205.db2.gz QLPSNRUNHTVDAX-HUUCEWRRSA-N 2 2 354.401 0.504 10 0 FCAELP C[NH2+]CCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418911593 489787932 /nfs/dbraw/zinc/78/79/32/489787932.db2.gz QLPSNRUNHTVDAX-LSDHHAIUSA-N 2 2 354.401 0.504 10 0 FCAELP C[NH2+]CCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418911593 489787937 /nfs/dbraw/zinc/78/79/37/489787937.db2.gz QLPSNRUNHTVDAX-LSDHHAIUSA-N 2 2 354.401 0.504 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418913250 489788122 /nfs/dbraw/zinc/78/81/22/489788122.db2.gz SFPGQJRLARRJKU-UGFHNGPFSA-N 2 2 352.385 0.304 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418913250 489788124 /nfs/dbraw/zinc/78/81/24/489788124.db2.gz SFPGQJRLARRJKU-UGFHNGPFSA-N 2 2 352.385 0.304 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000418912895 489788167 /nfs/dbraw/zinc/78/81/67/489788167.db2.gz RXGZXCUGIWTZDA-LYRGGWFBSA-N 2 2 366.412 0.647 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000418912895 489788169 /nfs/dbraw/zinc/78/81/69/489788169.db2.gz RXGZXCUGIWTZDA-LYRGGWFBSA-N 2 2 366.412 0.647 10 0 FCAELP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000418913697 489789063 /nfs/dbraw/zinc/78/90/63/489789063.db2.gz SRWGLYQERKWVPW-UGFHNGPFSA-N 2 2 352.866 0.912 10 0 FCAELP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000418913697 489789067 /nfs/dbraw/zinc/78/90/67/489789067.db2.gz SRWGLYQERKWVPW-UGFHNGPFSA-N 2 2 352.866 0.912 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000418913622 489789141 /nfs/dbraw/zinc/78/91/41/489789141.db2.gz SOWYERUPLRBWTP-OLZOCXBDSA-N 2 2 374.819 0.912 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000418913622 489789142 /nfs/dbraw/zinc/78/91/42/489789142.db2.gz SOWYERUPLRBWTP-OLZOCXBDSA-N 2 2 374.819 0.912 10 0 FCAELP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000419071052 489845337 /nfs/dbraw/zinc/84/53/37/489845337.db2.gz IFZLWLOROMILNT-UHOFOFEASA-N 2 2 373.432 0.879 10 0 FCAELP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000419113416 489860873 /nfs/dbraw/zinc/86/08/73/489860873.db2.gz GQOFFHXSQGGTJS-IAGOWNOFSA-N 2 2 362.474 0.276 10 0 FCAELP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000420074488 489903242 /nfs/dbraw/zinc/90/32/42/489903242.db2.gz ZOXLHUHQJDTPRS-ULQDDVLXSA-N 2 2 366.506 0.333 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)[C@]2(CO)CCOC2)CC1 ZINC000461368632 489906419 /nfs/dbraw/zinc/90/64/19/489906419.db2.gz AWCOPVMGPDBWTJ-PXNSSMCTSA-N 2 2 361.486 0.975 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)[C@]2(CO)CCOC2)CC1 ZINC000461368632 489906414 /nfs/dbraw/zinc/90/64/14/489906414.db2.gz AWCOPVMGPDBWTJ-PXNSSMCTSA-N 2 2 361.486 0.975 10 0 FCAELP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000420097071 489911325 /nfs/dbraw/zinc/91/13/25/489911325.db2.gz HNDQRHWFOMCZFP-RDJZCZTQSA-N 2 2 374.485 0.454 10 0 FCAELP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000420099648 489911382 /nfs/dbraw/zinc/91/13/82/489911382.db2.gz BNJATOSNMWTQJQ-NUJGCVRESA-N 2 2 358.486 0.834 10 0 FCAELP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000420099648 489911386 /nfs/dbraw/zinc/91/13/86/489911386.db2.gz BNJATOSNMWTQJQ-NUJGCVRESA-N 2 2 358.486 0.834 10 0 FCAELP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000420110931 489915803 /nfs/dbraw/zinc/91/58/03/489915803.db2.gz ZVZLOLHKTFRADC-UKRRQHHQSA-N 2 2 350.488 0.507 10 0 FCAELP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000477057519 489935865 /nfs/dbraw/zinc/93/58/65/489935865.db2.gz NVOBFMJXMUHTQI-DLBZAZTESA-N 2 2 368.522 0.546 10 0 FCAELP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000377683344 489941244 /nfs/dbraw/zinc/94/12/44/489941244.db2.gz XYPYIBSXVKQWKT-FUHWJXTLSA-N 3 2 367.538 0.565 10 0 FCAELP COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000377683344 489941245 /nfs/dbraw/zinc/94/12/45/489941245.db2.gz XYPYIBSXVKQWKT-FUHWJXTLSA-N 3 2 367.538 0.565 10 0 FCAELP COCC[NH+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377683344 489941246 /nfs/dbraw/zinc/94/12/46/489941246.db2.gz XYPYIBSXVKQWKT-FUHWJXTLSA-N 3 2 367.538 0.565 10 0 FCAELP COCC[NH+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377683344 489941249 /nfs/dbraw/zinc/94/12/49/489941249.db2.gz XYPYIBSXVKQWKT-FUHWJXTLSA-N 3 2 367.538 0.565 10 0 FCAELP CCC[NH+]1CCC(CNC(=O)C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000477729822 489987753 /nfs/dbraw/zinc/98/77/53/489987753.db2.gz ULDNBKYUDJASRT-MRXNPFEDSA-N 2 2 368.522 0.404 10 0 FCAELP NS(=O)(=O)c1ccc(NC(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000378060969 490003677 /nfs/dbraw/zinc/00/36/77/490003677.db2.gz PVGRIYNYTBGNTD-UHFFFAOYSA-N 2 2 363.443 0.875 10 0 FCAELP CC[N@H+](CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@H]1CCOC1 ZINC000463434822 490017716 /nfs/dbraw/zinc/01/77/16/490017716.db2.gz PYGFQMYKJAJEOU-AWEZNQCLSA-N 2 2 373.461 0.123 10 0 FCAELP CC[N@@H+](CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@H]1CCOC1 ZINC000463434822 490017719 /nfs/dbraw/zinc/01/77/19/490017719.db2.gz PYGFQMYKJAJEOU-AWEZNQCLSA-N 2 2 373.461 0.123 10 0 FCAELP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCCC[NH+]1CCOCC1)c1ccco1 ZINC000556168565 491300089 /nfs/dbraw/zinc/30/00/89/491300089.db2.gz SJKZWARRBHDPIL-HNNXBMFYSA-N 2 2 366.462 0.227 10 0 FCAELP Cc1[nH+]c2cc(NC(=O)C(=O)NC[C@H]3CCCC[N@@H+]3CCO)ccc2n1C ZINC000571376550 491303683 /nfs/dbraw/zinc/30/36/83/491303683.db2.gz OTPBCJWGGKFJQD-OAHLLOKOSA-N 2 2 373.457 0.783 10 0 FCAELP Cc1[nH+]c2cc(NC(=O)C(=O)NC[C@H]3CCCC[N@H+]3CCO)ccc2n1C ZINC000571376550 491303685 /nfs/dbraw/zinc/30/36/85/491303685.db2.gz OTPBCJWGGKFJQD-OAHLLOKOSA-N 2 2 373.457 0.783 10 0 FCAELP C[C@@H]1CN(C(=O)C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)C[C@@H](C)O1 ZINC000533071388 490167922 /nfs/dbraw/zinc/16/79/22/490167922.db2.gz ADKABRAXLJUOPS-HUUCEWRRSA-N 2 2 362.478 0.300 10 0 FCAELP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000556244627 491305774 /nfs/dbraw/zinc/30/57/74/491305774.db2.gz FZWDRMOXBGDYLN-HNNXBMFYSA-N 2 2 357.458 0.520 10 0 FCAELP O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000556244627 491305775 /nfs/dbraw/zinc/30/57/75/491305775.db2.gz FZWDRMOXBGDYLN-HNNXBMFYSA-N 2 2 357.458 0.520 10 0 FCAELP C[C@@H]1C[C@H](NC(=O)C(=O)NCCc2cn(C)c[nH+]2)C[N@@H+]1Cc1ccccc1 ZINC000422377061 490287809 /nfs/dbraw/zinc/28/78/09/490287809.db2.gz JLBGYFPYJFLWBY-QAPCUYQASA-N 2 2 369.469 0.858 10 0 FCAELP C[C@@H]1C[C@H](NC(=O)C(=O)NCCc2cn(C)c[nH+]2)C[N@H+]1Cc1ccccc1 ZINC000422377061 490287812 /nfs/dbraw/zinc/28/78/12/490287812.db2.gz JLBGYFPYJFLWBY-QAPCUYQASA-N 2 2 369.469 0.858 10 0 FCAELP C[C@@H]1OCC[C@@H]1[N@H+](CCO)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000483291234 490302779 /nfs/dbraw/zinc/30/27/79/490302779.db2.gz BEFJWIZRLJNSGT-HKUYNNGSSA-N 2 2 361.486 0.803 10 0 FCAELP C[C@@H]1OCC[C@@H]1[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000483291234 490302785 /nfs/dbraw/zinc/30/27/85/490302785.db2.gz BEFJWIZRLJNSGT-HKUYNNGSSA-N 2 2 361.486 0.803 10 0 FCAELP CN(C)c1ncc(CN(C)C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cn1 ZINC000508275779 490313667 /nfs/dbraw/zinc/31/36/67/490313667.db2.gz QTPASCFEHUCDEF-UHFFFAOYSA-N 2 2 363.510 0.710 10 0 FCAELP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000547645798 490333590 /nfs/dbraw/zinc/33/35/90/490333590.db2.gz MRODXLUKGSRPSI-APWZRJJASA-N 2 2 373.497 0.980 10 0 FCAELP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000547645798 490333595 /nfs/dbraw/zinc/33/35/95/490333595.db2.gz MRODXLUKGSRPSI-APWZRJJASA-N 2 2 373.497 0.980 10 0 FCAELP CCNC(=O)c1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nn1 ZINC000534422773 490364912 /nfs/dbraw/zinc/36/49/12/490364912.db2.gz SFSAMTFOJGFARP-XYPWUTKMSA-N 2 2 358.490 0.974 10 0 FCAELP CCNC(=O)c1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)nn1 ZINC000534422773 490364917 /nfs/dbraw/zinc/36/49/17/490364917.db2.gz SFSAMTFOJGFARP-XYPWUTKMSA-N 2 2 358.490 0.974 10 0 FCAELP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@H]([C@H](O)C(F)(F)F)C3)cn2)CC1 ZINC000449672342 490420877 /nfs/dbraw/zinc/42/08/77/490420877.db2.gz MMALEENJZJHASZ-KGLIPLIRSA-N 2 2 359.396 0.974 10 0 FCAELP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@H]([C@H](O)C(F)(F)F)C3)cn2)CC1 ZINC000449672342 490420891 /nfs/dbraw/zinc/42/08/91/490420891.db2.gz MMALEENJZJHASZ-KGLIPLIRSA-N 2 2 359.396 0.974 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000468758123 490444282 /nfs/dbraw/zinc/44/42/82/490444282.db2.gz ALXJIZKERGCQKY-INIZCTEOSA-N 2 2 361.490 0.626 10 0 FCAELP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000571771988 491328436 /nfs/dbraw/zinc/32/84/36/491328436.db2.gz VQATYQMQOVQIJH-HUUCEWRRSA-N 2 2 362.478 0.695 10 0 FCAELP O=C(CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)N1CCN(c2cccc[nH+]2)CC1 ZINC000422844498 490484737 /nfs/dbraw/zinc/48/47/37/490484737.db2.gz LYQYVRUMKTXFKS-XLIONFOSSA-N 3 2 373.501 0.477 10 0 FCAELP O=C(CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)N1CCN(c2ccccn2)CC1 ZINC000422844498 490484746 /nfs/dbraw/zinc/48/47/46/490484746.db2.gz LYQYVRUMKTXFKS-XLIONFOSSA-N 2 2 373.501 0.477 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+]2CCC(O)(C(N)=O)CC2)CC1 ZINC000450924788 490500060 /nfs/dbraw/zinc/50/00/60/490500060.db2.gz OQQZHPUYZBFQQA-MRXNPFEDSA-N 2 2 374.485 0.204 10 0 FCAELP Cn1c(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)nc2cccc(Cl)c21 ZINC000564873490 491332278 /nfs/dbraw/zinc/33/22/78/491332278.db2.gz PALPHWRNKCKXRK-CYBMUJFWSA-N 2 2 351.882 0.925 10 0 FCAELP CN(CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)S(=O)(=O)c1cccs1 ZINC000422993513 490513348 /nfs/dbraw/zinc/51/33/48/490513348.db2.gz FUHRGNNTTSNRKD-ZFWWWQNUSA-N 2 2 359.517 0.725 10 0 FCAELP Cc1cc(S(=O)(=O)NCC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c(C)s1 ZINC000422997824 490514649 /nfs/dbraw/zinc/51/46/49/490514649.db2.gz OQEDOIRSFAEQGF-GDBMZVCRSA-N 2 2 373.544 1.000 10 0 FCAELP c1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)ccc1C[NH+]1C[C@@H]2COC[C@H](C1)O2 ZINC000548940176 490555370 /nfs/dbraw/zinc/55/53/70/490555370.db2.gz VNERONFJNRHGOG-FGYAAKKASA-N 2 2 360.454 0.886 10 0 FCAELP c1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)ccc1C[NH+]1C[C@@H]2COC[C@H](C1)O2 ZINC000548940176 490555372 /nfs/dbraw/zinc/55/53/72/490555372.db2.gz VNERONFJNRHGOG-FGYAAKKASA-N 2 2 360.454 0.886 10 0 FCAELP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)CC1 ZINC000511128597 490564778 /nfs/dbraw/zinc/56/47/78/490564778.db2.gz XNZSTXQBQCJQPY-CYBMUJFWSA-N 2 2 364.412 0.541 10 0 FCAELP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)CC1 ZINC000511128597 490564782 /nfs/dbraw/zinc/56/47/82/490564782.db2.gz XNZSTXQBQCJQPY-CYBMUJFWSA-N 2 2 364.412 0.541 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@@H](C)C(=O)NC(C)(C)C)C1 ZINC000485861049 490564837 /nfs/dbraw/zinc/56/48/37/490564837.db2.gz FVTZHPPDZHGOBQ-HOTGVXAUSA-N 2 2 370.538 0.694 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@@H](C)C(=O)NC(C)(C)C)C1 ZINC000485861049 490564841 /nfs/dbraw/zinc/56/48/41/490564841.db2.gz FVTZHPPDZHGOBQ-HOTGVXAUSA-N 2 2 370.538 0.694 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C)C1 ZINC000485861049 490564845 /nfs/dbraw/zinc/56/48/45/490564845.db2.gz FVTZHPPDZHGOBQ-HOTGVXAUSA-N 2 2 370.538 0.694 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C)C1 ZINC000485861049 490564848 /nfs/dbraw/zinc/56/48/48/490564848.db2.gz FVTZHPPDZHGOBQ-HOTGVXAUSA-N 2 2 370.538 0.694 10 0 FCAELP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000511968993 490645738 /nfs/dbraw/zinc/64/57/38/490645738.db2.gz XLHREJTWSMMJHA-QQFBHYJXSA-N 2 2 359.474 0.869 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000511984352 490647492 /nfs/dbraw/zinc/64/74/92/490647492.db2.gz SQZNRXHQJCIKCJ-KLAILNCOSA-N 2 2 366.506 0.299 10 0 FCAELP COc1c[nH+]ccc1N1CCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000527522784 490732794 /nfs/dbraw/zinc/73/27/94/490732794.db2.gz YETRVUCBOUEBHA-HNNXBMFYSA-N 2 2 363.462 0.643 10 0 FCAELP COc1c[nH+]ccc1N1CCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000527522784 490732798 /nfs/dbraw/zinc/73/27/98/490732798.db2.gz YETRVUCBOUEBHA-HNNXBMFYSA-N 2 2 363.462 0.643 10 0 FCAELP FC(F)CN1CC[NH+](CCOCC[NH+]2CCN(CC(F)F)CC2)CC1 ZINC000488667710 490771146 /nfs/dbraw/zinc/77/11/46/490771146.db2.gz FPZMQMMIFNYMRM-UHFFFAOYSA-N 2 2 370.435 0.768 10 0 FCAELP CC1(C)NC(=O)N(CCC[NH+]2CCC(C)([NH+]3CCOCC3)CC2)C1=O ZINC000528726562 490823259 /nfs/dbraw/zinc/82/32/59/490823259.db2.gz DSWWHPAVLFMXGJ-UHFFFAOYSA-N 2 2 352.479 0.894 10 0 FCAELP C[C@]1(F)C[NH2+]CCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000515655139 490834771 /nfs/dbraw/zinc/83/47/71/490834771.db2.gz FGALDAZYILYUFY-HKUYNNGSSA-N 3 2 359.449 0.961 10 0 FCAELP CNC(=O)C[NH+]1CCC(NC(=O)N2CCN(c3c[nH+]ccc3C)CC2)CC1 ZINC000540810877 490836043 /nfs/dbraw/zinc/83/60/43/490836043.db2.gz MZRJOUKQIREDRA-UHFFFAOYSA-N 2 2 374.489 0.432 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000540978060 490844233 /nfs/dbraw/zinc/84/42/33/490844233.db2.gz PPFKJTMOHIGBRA-QGZVFWFLSA-N 2 2 360.506 0.858 10 0 FCAELP CC[NH+](CC)CCCNC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000541179537 490854078 /nfs/dbraw/zinc/85/40/78/490854078.db2.gz MNEBAPVUBPZRSK-HNNXBMFYSA-N 2 2 364.494 0.942 10 0 FCAELP CC[NH2+]CCCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000557246417 491361830 /nfs/dbraw/zinc/36/18/30/491361830.db2.gz FZJXTSKHOJMABU-JKSUJKDBSA-N 2 2 368.428 0.942 10 0 FCAELP CC[NH2+]CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000557246417 491361833 /nfs/dbraw/zinc/36/18/33/491361833.db2.gz FZJXTSKHOJMABU-JKSUJKDBSA-N 2 2 368.428 0.942 10 0 FCAELP COc1ccc(N2CC[NH+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)nc1 ZINC000516395763 490862750 /nfs/dbraw/zinc/86/27/50/490862750.db2.gz UFCITMWTVYMNGI-UHFFFAOYSA-N 2 2 373.501 0.955 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)NCCC[NH+]2CCCC2)C1=O ZINC000542109965 490885530 /nfs/dbraw/zinc/88/55/30/490885530.db2.gz MWPBDCFPRRYNAU-OAHLLOKOSA-N 2 2 362.478 0.696 10 0 FCAELP C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000542121841 490885897 /nfs/dbraw/zinc/88/58/97/490885897.db2.gz DDSQVNJREDPBJE-UONOGXRCSA-N 2 2 350.467 0.551 10 0 FCAELP CN(CCCn1cc[nH+]c1)C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000542121705 490886211 /nfs/dbraw/zinc/88/62/11/490886211.db2.gz XLYDUMDPTAJYEI-OAHLLOKOSA-N 2 2 373.461 0.839 10 0 FCAELP C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530228694 490894279 /nfs/dbraw/zinc/89/42/79/490894279.db2.gz YIQSSQWHNGEYQF-ZACQAIPSSA-N 2 2 365.522 0.522 10 0 FCAELP O=C(N1CC[NH2+]CC1)N1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC000530241157 490895320 /nfs/dbraw/zinc/89/53/20/490895320.db2.gz CNAGHOWUYMWAEJ-UHFFFAOYSA-N 2 2 358.490 0.825 10 0 FCAELP C[C@H](CNC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)[N@H+](C)C1CC1 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ZINC000558115773 491415172 /nfs/dbraw/zinc/41/51/72/491415172.db2.gz WQTBUPPFHFYHDY-MRXNPFEDSA-N 2 2 368.522 0.404 10 0 FCAELP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000573549332 491439729 /nfs/dbraw/zinc/43/97/29/491439729.db2.gz RXZZZIDTYCHZIT-AEFFLSMTSA-N 2 2 373.501 0.039 10 0 FCAELP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCc2cn3ccccc3[nH+]2)CCO1 ZINC000668380794 493344822 /nfs/dbraw/zinc/34/48/22/493344822.db2.gz ISJIQMCSJPLNQT-INIZCTEOSA-N 2 2 373.457 0.520 10 0 FCAELP CC[NH+](CC)CCS(=O)(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000559640716 491488287 /nfs/dbraw/zinc/48/82/87/491488287.db2.gz YNTXGKOTPPTCQN-UHFFFAOYSA-N 2 2 374.551 0.288 10 0 FCAELP CC[NH+](CC)CCS(=O)(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000559640716 491488288 /nfs/dbraw/zinc/48/82/88/491488288.db2.gz YNTXGKOTPPTCQN-UHFFFAOYSA-N 2 2 374.551 0.288 10 0 FCAELP CN(CCC[NH3+])C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000567250181 491494874 /nfs/dbraw/zinc/49/48/74/491494874.db2.gz 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CC(C)[C@H](CNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000568738277 491604707 /nfs/dbraw/zinc/60/47/07/491604707.db2.gz OKIHVGQSULBVNQ-SQNIBIBYSA-N 2 2 369.554 0.355 10 0 FCAELP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000576737299 491640349 /nfs/dbraw/zinc/64/03/49/491640349.db2.gz XZGWRNQGJNOFPG-HRCADAONSA-N 2 2 359.474 0.819 10 0 FCAELP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000576737299 491640351 /nfs/dbraw/zinc/64/03/51/491640351.db2.gz XZGWRNQGJNOFPG-HRCADAONSA-N 2 2 359.474 0.819 10 0 FCAELP C[NH+](C)CCOC1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000576846462 491649979 /nfs/dbraw/zinc/64/99/79/491649979.db2.gz ALDJXZBKXVVRIF-UHFFFAOYSA-N 2 2 359.430 0.842 10 0 FCAELP Cn1cc[nH+]c1CN1CCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000578130012 491670646 /nfs/dbraw/zinc/67/06/46/491670646.db2.gz MMHJBMQXKVVSCG-MRXNPFEDSA-N 2 2 357.462 0.499 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000579335070 491695470 /nfs/dbraw/zinc/69/54/70/491695470.db2.gz NHBGKTDLIONIBW-UHFFFAOYSA-N 2 2 359.474 0.754 10 0 FCAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H](CO)CN3CCOCC3)c2cc1C ZINC000584593872 491708679 /nfs/dbraw/zinc/70/86/79/491708679.db2.gz OKDIUVZXYWHWAV-SJORKVTESA-N 2 2 362.474 0.297 10 0 FCAELP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000580104226 491717711 /nfs/dbraw/zinc/71/77/11/491717711.db2.gz IHGSHMYLQWLHFP-DOTOQJQBSA-N 2 2 373.501 0.965 10 0 FCAELP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000580104226 491717713 /nfs/dbraw/zinc/71/77/13/491717713.db2.gz IHGSHMYLQWLHFP-DOTOQJQBSA-N 2 2 373.501 0.965 10 0 FCAELP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000580421857 491730429 /nfs/dbraw/zinc/73/04/29/491730429.db2.gz WOVWLCWOYJMGRD-QGZVFWFLSA-N 2 2 373.501 0.183 10 0 FCAELP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000580421856 491730543 /nfs/dbraw/zinc/73/05/43/491730543.db2.gz WOVWLCWOYJMGRD-KRWDZBQOSA-N 2 2 373.501 0.183 10 0 FCAELP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)Cn3cc[nH+]c3)c2)C1 ZINC000581522322 491775947 /nfs/dbraw/zinc/77/59/47/491775947.db2.gz PWSBKDMGUUVMTR-KRWDZBQOSA-N 2 2 355.442 0.897 10 0 FCAELP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)Cn3cc[nH+]c3)c2)C1 ZINC000581522322 491775948 /nfs/dbraw/zinc/77/59/48/491775948.db2.gz PWSBKDMGUUVMTR-KRWDZBQOSA-N 2 2 355.442 0.897 10 0 FCAELP CN(CCC[NH3+])C(=O)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000581559474 491777615 /nfs/dbraw/zinc/77/76/15/491777615.db2.gz APTVMBGJVZDVPL-UHFFFAOYSA-N 2 2 352.866 0.622 10 0 FCAELP CN(CCC[NH3+])C(=O)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000581559474 491777617 /nfs/dbraw/zinc/77/76/17/491777617.db2.gz APTVMBGJVZDVPL-UHFFFAOYSA-N 2 2 352.866 0.622 10 0 FCAELP C[C@H](CNC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1)[N@H+](C)C1CC1 ZINC000581563147 491778060 /nfs/dbraw/zinc/77/80/60/491778060.db2.gz WUAMFKDASMSHDG-CQSZACIVSA-N 2 2 359.474 0.766 10 0 FCAELP C[C@H](CNC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)C1CC1 ZINC000581563147 491778061 /nfs/dbraw/zinc/77/80/61/491778061.db2.gz WUAMFKDASMSHDG-CQSZACIVSA-N 2 2 359.474 0.766 10 0 FCAELP Cc1nc(N)c(CNC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)c[nH+]1 ZINC000581569689 491778264 /nfs/dbraw/zinc/77/82/64/491778264.db2.gz ONEOMYRFJOKOMN-UHFFFAOYSA-N 2 2 354.458 1.045 10 0 FCAELP O=C(C[NH+]1CCCC1)N1CC[NH+](CCc2nnnn2-c2ccccc2)CC1 ZINC000590790674 491786503 /nfs/dbraw/zinc/78/65/03/491786503.db2.gz BPHLNGGPWVASNR-UHFFFAOYSA-N 2 2 369.473 0.445 10 0 FCAELP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000590966758 491790298 /nfs/dbraw/zinc/79/02/98/491790298.db2.gz BJUPCIANCNXPQU-DLBZAZTESA-N 2 2 357.495 0.029 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)CN2CC[NH2+]CC2=O)[C@H]1c1ccc(Cl)cc1 ZINC000582544924 491817049 /nfs/dbraw/zinc/81/70/49/491817049.db2.gz CVRKLBQTNXYCKE-WMLDXEAASA-N 2 2 350.850 0.633 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)CN2CC[NH2+]CC2=O)[C@H]1c1ccc(Cl)cc1 ZINC000582544924 491817051 /nfs/dbraw/zinc/81/70/51/491817051.db2.gz CVRKLBQTNXYCKE-WMLDXEAASA-N 2 2 350.850 0.633 10 0 FCAELP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CC(C)(C(N)=O)C3)CC2)cc1 ZINC000582724524 491823819 /nfs/dbraw/zinc/82/38/19/491823819.db2.gz ZCFGNRHDEPMUIH-UHFFFAOYSA-N 2 2 358.486 0.837 10 0 FCAELP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CC(C)(C(N)=O)C3)CC2)cc1 ZINC000582724524 491823821 /nfs/dbraw/zinc/82/38/21/491823821.db2.gz ZCFGNRHDEPMUIH-UHFFFAOYSA-N 2 2 358.486 0.837 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCO[C@]3(CCSC3)C2)C1 ZINC000582782655 491826706 /nfs/dbraw/zinc/82/67/06/491826706.db2.gz INNUENQVHAVOAI-FUHWJXTLSA-N 2 2 371.547 0.667 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCO[C@]3(CCSC3)C2)C1 ZINC000582782655 491826707 /nfs/dbraw/zinc/82/67/07/491826707.db2.gz INNUENQVHAVOAI-FUHWJXTLSA-N 2 2 371.547 0.667 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCO[C@]3(CCSC3)C2)C1 ZINC000582782655 491826708 /nfs/dbraw/zinc/82/67/08/491826708.db2.gz INNUENQVHAVOAI-FUHWJXTLSA-N 2 2 371.547 0.667 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCO[C@]3(CCSC3)C2)C1 ZINC000582782655 491826709 /nfs/dbraw/zinc/82/67/09/491826709.db2.gz INNUENQVHAVOAI-FUHWJXTLSA-N 2 2 371.547 0.667 10 0 FCAELP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1CCCN(Cc3[nH+]ccn3C)C1=O)CC2 ZINC000583268291 491841367 /nfs/dbraw/zinc/84/13/67/491841367.db2.gz HNKXVLRPUPRGOE-GDBMZVCRSA-N 2 2 370.457 0.795 10 0 FCAELP C[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cn2ccccc2n1 ZINC000583336433 491842758 /nfs/dbraw/zinc/84/27/58/491842758.db2.gz MFJHWGFVQHBLHI-JKSUJKDBSA-N 2 2 357.458 0.918 10 0 FCAELP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cn2ccccc2n1 ZINC000583336432 491842863 /nfs/dbraw/zinc/84/28/63/491842863.db2.gz MFJHWGFVQHBLHI-HZPDHXFCSA-N 2 2 357.458 0.918 10 0 FCAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000595019887 491878349 /nfs/dbraw/zinc/87/83/49/491878349.db2.gz RRCIMLKTIQWTCK-JKSUJKDBSA-N 2 2 369.506 0.877 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc([S@@](C)=O)c1 ZINC000595125247 491886348 /nfs/dbraw/zinc/88/63/48/491886348.db2.gz LKTRDWOFTWNRGG-RUZDIDTESA-N 2 2 368.503 0.362 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc([S@@](C)=O)c1 ZINC000595125247 491886350 /nfs/dbraw/zinc/88/63/50/491886350.db2.gz LKTRDWOFTWNRGG-RUZDIDTESA-N 2 2 368.503 0.362 10 0 FCAELP COC(=O)c1coc([C@@H](C)[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000601322645 491903720 /nfs/dbraw/zinc/90/37/20/491903720.db2.gz GWZMZAIQDDUSIH-OLZOCXBDSA-N 2 2 350.419 0.666 10 0 FCAELP COC(=O)c1coc([C@@H](C)[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000601322645 491903723 /nfs/dbraw/zinc/90/37/23/491903723.db2.gz GWZMZAIQDDUSIH-OLZOCXBDSA-N 2 2 350.419 0.666 10 0 FCAELP COC(=O)CCN1CCC[C@@H]([N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000595477253 491935134 /nfs/dbraw/zinc/93/51/34/491935134.db2.gz RSASNYFFOWTIEK-DLBZAZTESA-N 2 2 367.490 0.585 10 0 FCAELP COC(=O)CCN1CCC[C@@H]([N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000595477253 491935135 /nfs/dbraw/zinc/93/51/35/491935135.db2.gz RSASNYFFOWTIEK-DLBZAZTESA-N 2 2 367.490 0.585 10 0 FCAELP C[NH+](C)CCC[C@@H]1C[N@@H+]([C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)CCO1 ZINC000595905773 491960386 /nfs/dbraw/zinc/96/03/86/491960386.db2.gz SZUJZYCZDWJVRY-HZPDHXFCSA-N 2 2 369.506 0.972 10 0 FCAELP C[NH+](C)CCC[C@@H]1C[N@H+]([C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)CCO1 ZINC000595905773 491960387 /nfs/dbraw/zinc/96/03/87/491960387.db2.gz SZUJZYCZDWJVRY-HZPDHXFCSA-N 2 2 369.506 0.972 10 0 FCAELP COC(=O)c1cnc([C@@H]2CCC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)s1 ZINC000595914051 491960790 /nfs/dbraw/zinc/96/07/90/491960790.db2.gz LCEGMYRBXUOBHM-CYBMUJFWSA-N 2 2 366.487 0.883 10 0 FCAELP COC(=O)c1cnc([C@@H]2CCC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)s1 ZINC000595914051 491960793 /nfs/dbraw/zinc/96/07/93/491960793.db2.gz LCEGMYRBXUOBHM-CYBMUJFWSA-N 2 2 366.487 0.883 10 0 FCAELP CSC1(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)CC[NH+](C)CC1 ZINC000596605127 491992677 /nfs/dbraw/zinc/99/26/77/491992677.db2.gz 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0.665 10 0 FCAELP CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617766826 492190760 /nfs/dbraw/zinc/19/07/60/492190760.db2.gz WDZBSFWDTVGBFL-LSDHHAIUSA-N 2 2 358.552 0.934 10 0 FCAELP CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617766826 492190761 /nfs/dbraw/zinc/19/07/61/492190761.db2.gz WDZBSFWDTVGBFL-LSDHHAIUSA-N 2 2 358.552 0.934 10 0 FCAELP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000617726827 492184535 /nfs/dbraw/zinc/18/45/35/492184535.db2.gz AADAYRKTTQQYAV-CVEARBPZSA-N 2 2 361.490 0.672 10 0 FCAELP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000617726827 492184537 /nfs/dbraw/zinc/18/45/37/492184537.db2.gz AADAYRKTTQQYAV-CVEARBPZSA-N 2 2 361.490 0.672 10 0 FCAELP Cc1nnnn1-c1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(F)c1 ZINC000617762183 492190153 /nfs/dbraw/zinc/19/01/53/492190153.db2.gz JECYGPFTDJFVIZ-UHFFFAOYSA-N 2 2 363.441 0.723 10 0 FCAELP Cc1nnnn1-c1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(F)c1 ZINC000617762183 492190155 /nfs/dbraw/zinc/19/01/55/492190155.db2.gz JECYGPFTDJFVIZ-UHFFFAOYSA-N 2 2 363.441 0.723 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(CN2CCOCC2)cn1 ZINC000617764393 492190166 /nfs/dbraw/zinc/19/01/66/492190166.db2.gz VDVPVOGCBWGHDK-UHFFFAOYSA-N 2 2 363.506 0.527 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(CN2CCOCC2)cn1 ZINC000617764393 492190169 /nfs/dbraw/zinc/19/01/69/492190169.db2.gz VDVPVOGCBWGHDK-UHFFFAOYSA-N 2 2 363.506 0.527 10 0 FCAELP Cc1ccc(S(N)(=O)=O)c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000617765470 492190194 /nfs/dbraw/zinc/19/01/94/492190194.db2.gz BYNNAAQFYRISDH-UHFFFAOYSA-N 2 2 356.492 0.256 10 0 FCAELP Cc1ccc(S(N)(=O)=O)c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000617765470 492190196 /nfs/dbraw/zinc/19/01/96/492190196.db2.gz BYNNAAQFYRISDH-UHFFFAOYSA-N 2 2 356.492 0.256 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(Cl)ccc1-n1cnnn1 ZINC000617768333 492190479 /nfs/dbraw/zinc/19/04/79/492190479.db2.gz ZHPXGDCTWJQGTJ-UHFFFAOYSA-N 2 2 365.869 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0.208 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H](C[NH3+])C(F)(F)F)CC2)CC1 ZINC000655924245 492489669 /nfs/dbraw/zinc/48/96/69/492489669.db2.gz IWBJBGGJWLECHG-ZDUSSCGKSA-N 3 2 351.417 0.734 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1CCC[C@@H]([C@@H]3CCC[NH2+]C3)C1)CC2 ZINC000643540987 492494705 /nfs/dbraw/zinc/49/47/05/492494705.db2.gz MJGFUYWNXGOSOU-HZPDHXFCSA-N 2 2 359.474 0.772 10 0 FCAELP [NH3+]C[C@H](NC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1)C(F)(F)F ZINC000655958129 492498208 /nfs/dbraw/zinc/49/82/08/492498208.db2.gz DKZSYUDSHWJWMX-ZDUSSCGKSA-N 2 2 374.363 0.463 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656019602 492519264 /nfs/dbraw/zinc/51/92/64/492519264.db2.gz HHXFQROEMWDYOE-ARKGTOAJSA-N 2 2 354.495 0.105 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656019602 492519268 /nfs/dbraw/zinc/51/92/68/492519268.db2.gz HHXFQROEMWDYOE-ARKGTOAJSA-N 2 2 354.495 0.105 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656024188 492520175 /nfs/dbraw/zinc/52/01/75/492520175.db2.gz NVEXYEOQSFYLPV-KOWPAETKSA-N 2 2 366.506 0.105 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656024188 492520178 /nfs/dbraw/zinc/52/01/78/492520178.db2.gz NVEXYEOQSFYLPV-KOWPAETKSA-N 2 2 366.506 0.105 10 0 FCAELP C[C@@H](C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C)[NH+]1CCCCCC1 ZINC000628577279 492521212 /nfs/dbraw/zinc/52/12/12/492521212.db2.gz NYIIZKDHFFNIED-LPHOPBHVSA-N 2 2 353.507 0.983 10 0 FCAELP C[C@@H](C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C)[NH+]1CCCCCC1 ZINC000628577279 492521215 /nfs/dbraw/zinc/52/12/15/492521215.db2.gz NYIIZKDHFFNIED-LPHOPBHVSA-N 2 2 353.507 0.983 10 0 FCAELP CC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000656039843 492522890 /nfs/dbraw/zinc/52/28/90/492522890.db2.gz IVGLZQYMWSLHPG-LJIZCISZSA-N 2 2 354.495 0.186 10 0 FCAELP CC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000656039843 492522893 /nfs/dbraw/zinc/52/28/93/492522893.db2.gz IVGLZQYMWSLHPG-LJIZCISZSA-N 2 2 354.495 0.186 10 0 FCAELP C[C@@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)[C@H](C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623260866 492535034 /nfs/dbraw/zinc/53/50/34/492535034.db2.gz TUAXKPPOXGYVIM-XJFOESAGSA-N 2 2 356.430 0.134 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656077198 492538275 /nfs/dbraw/zinc/53/82/75/492538275.db2.gz SASVCDPWRMIHFB-BPKGMFCQSA-N 2 2 368.522 0.541 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656077198 492538277 /nfs/dbraw/zinc/53/82/77/492538277.db2.gz SASVCDPWRMIHFB-BPKGMFCQSA-N 2 2 368.522 0.541 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656077198 492538279 /nfs/dbraw/zinc/53/82/79/492538279.db2.gz SASVCDPWRMIHFB-BPKGMFCQSA-N 2 2 368.522 0.541 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656077198 492538281 /nfs/dbraw/zinc/53/82/81/492538281.db2.gz SASVCDPWRMIHFB-BPKGMFCQSA-N 2 2 368.522 0.541 10 0 FCAELP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081701 492542697 /nfs/dbraw/zinc/54/26/97/492542697.db2.gz ZKYUWEFQSJZPCR-ZACQAIPSSA-N 2 2 370.538 0.791 10 0 FCAELP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081701 492542702 /nfs/dbraw/zinc/54/27/02/492542702.db2.gz ZKYUWEFQSJZPCR-ZACQAIPSSA-N 2 2 370.538 0.791 10 0 FCAELP CCCN(C(=O)C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000656086459 492547602 /nfs/dbraw/zinc/54/76/02/492547602.db2.gz ZBENRWUXEHJMDX-WCXIOVBPSA-N 2 2 368.522 0.543 10 0 FCAELP CCCN(C(=O)C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000656086459 492547604 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369.531 0.883 10 0 FCAELP Cn1nc2c(c1C[NH2+][C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CCCC2 ZINC000631076516 492797264 /nfs/dbraw/zinc/79/72/64/492797264.db2.gz LSUSHFADJCLJTL-HNNXBMFYSA-N 2 2 361.490 0.322 10 0 FCAELP CC(C)Nc1nc(NCCO)[nH+]c(N2CCC(C)([NH+]3CCCC3)CC2)n1 ZINC000631444201 492818712 /nfs/dbraw/zinc/81/87/12/492818712.db2.gz AWILKEPJCXBMPM-UHFFFAOYSA-N 2 2 363.510 0.395 10 0 FCAELP CC(C)Nc1nc(NCCO)nc(N2CCC(C)([NH+]3CCCC3)CC2)[nH+]1 ZINC000631444201 492818717 /nfs/dbraw/zinc/81/87/17/492818717.db2.gz AWILKEPJCXBMPM-UHFFFAOYSA-N 2 2 363.510 0.395 10 0 FCAELP COC[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)C1CCOCC1 ZINC000658094873 492837223 /nfs/dbraw/zinc/83/72/23/492837223.db2.gz IPRUBDVLDLGKJV-IBGZPJMESA-N 2 2 355.523 0.814 10 0 FCAELP COC[C@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)C1CCOCC1 ZINC000658094873 492837227 /nfs/dbraw/zinc/83/72/27/492837227.db2.gz IPRUBDVLDLGKJV-IBGZPJMESA-N 2 2 355.523 0.814 10 0 FCAELP COCC[N@@H+]1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)C(C)(C)C1 ZINC000651900865 492844706 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O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)N1CCN(C(=O)c2ccco2)CC1 ZINC000631888473 492870374 /nfs/dbraw/zinc/87/03/74/492870374.db2.gz ZUWQIPNFCRAFES-HZPDHXFCSA-N 2 2 360.458 0.638 10 0 FCAELP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)N1CCN(C(=O)c2ccco2)CC1 ZINC000631888473 492870379 /nfs/dbraw/zinc/87/03/79/492870379.db2.gz ZUWQIPNFCRAFES-HZPDHXFCSA-N 2 2 360.458 0.638 10 0 FCAELP NC(=O)CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631887005 492870645 /nfs/dbraw/zinc/87/06/45/492870645.db2.gz NSXMFMNVZNYYNZ-ROUUACIJSA-N 2 2 358.486 0.965 10 0 FCAELP NC(=O)CCN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631887005 492870648 /nfs/dbraw/zinc/87/06/48/492870648.db2.gz NSXMFMNVZNYYNZ-ROUUACIJSA-N 2 2 358.486 0.965 10 0 FCAELP NC(=O)COc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887418 492870809 /nfs/dbraw/zinc/87/08/09/492870809.db2.gz NKLXADOBEAEBRT-DOTOQJQBSA-N 2 2 360.458 0.241 10 0 FCAELP NC(=O)COc1ccc(CNC(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887418 492870811 /nfs/dbraw/zinc/87/08/11/492870811.db2.gz NKLXADOBEAEBRT-DOTOQJQBSA-N 2 2 360.458 0.241 10 0 FCAELP O=S(=O)(C[C@H]1C[NH2+]CCO1)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000631914524 492880407 /nfs/dbraw/zinc/88/04/07/492880407.db2.gz XZYBTWRBJDAZRO-OAHLLOKOSA-N 2 2 354.476 0.480 10 0 FCAELP CCc1nc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)sc1C ZINC000658428081 492886693 /nfs/dbraw/zinc/88/66/93/492886693.db2.gz IWHLYOKPDPPLSF-UHFFFAOYSA-N 2 2 355.508 0.952 10 0 FCAELP CCc1nc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)sc1C ZINC000658428081 492886697 /nfs/dbraw/zinc/88/66/97/492886697.db2.gz IWHLYOKPDPPLSF-UHFFFAOYSA-N 2 2 355.508 0.952 10 0 FCAELP CCN1C(=O)CO[C@H](C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1c1[nH+]ccn1C ZINC000625801762 492889191 /nfs/dbraw/zinc/88/91/91/492889191.db2.gz KYTBJOZZHWOLGC-SDADXPQNSA-N 2 2 363.462 0.307 10 0 FCAELP CCN1C(=O)CO[C@H](C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1c1[nH+]ccn1C ZINC000625801762 492889194 /nfs/dbraw/zinc/88/91/94/492889194.db2.gz KYTBJOZZHWOLGC-SDADXPQNSA-N 2 2 363.462 0.307 10 0 FCAELP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652243819 492897239 /nfs/dbraw/zinc/89/72/39/492897239.db2.gz JRVBSIVOZFCMHZ-UHFFFAOYSA-N 2 2 358.450 0.324 10 0 FCAELP O=C(NCc1ccc[nH+]c1N1CCOCC1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000645372880 492899502 /nfs/dbraw/zinc/89/95/02/492899502.db2.gz FXAWENJGEFWRRH-HNNXBMFYSA-N 2 2 371.445 0.364 10 0 FCAELP C[C@@H]1CCC[C@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)O1 ZINC000658494929 492913045 /nfs/dbraw/zinc/91/30/45/492913045.db2.gz IPMUWMSUPLXWJR-NVXWUHKLSA-N 2 2 368.522 0.545 10 0 FCAELP C[C@@H]1CCC[C@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)O1 ZINC000658494929 492913047 /nfs/dbraw/zinc/91/30/47/492913047.db2.gz IPMUWMSUPLXWJR-NVXWUHKLSA-N 2 2 368.522 0.545 10 0 FCAELP CCO[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C[C@H]1C[NH3+] ZINC000652356532 492914719 /nfs/dbraw/zinc/91/47/19/492914719.db2.gz QFCGIALUTZXKMN-ZHALLVOQSA-N 2 2 360.502 0.925 10 0 FCAELP CCO[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C[C@H]1C[NH3+] ZINC000652356532 492914722 /nfs/dbraw/zinc/91/47/22/492914722.db2.gz QFCGIALUTZXKMN-ZHALLVOQSA-N 2 2 360.502 0.925 10 0 FCAELP CCO[C@@H]1C[N@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C[C@H]1C[NH3+] ZINC000652357566 492916321 /nfs/dbraw/zinc/91/63/21/492916321.db2.gz XPOFNAXJRFXPBN-SJLPKXTDSA-N 2 2 357.458 0.784 10 0 FCAELP CCO[C@@H]1C[N@@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C[C@H]1C[NH3+] ZINC000652357566 492916324 /nfs/dbraw/zinc/91/63/24/492916324.db2.gz XPOFNAXJRFXPBN-SJLPKXTDSA-N 2 2 357.458 0.784 10 0 FCAELP CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)C1 ZINC000632060467 492921596 /nfs/dbraw/zinc/92/15/96/492921596.db2.gz NGRSWQLAKMEQCB-HOTGVXAUSA-N 2 2 363.524 0.080 10 0 FCAELP CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000632060467 492921597 /nfs/dbraw/zinc/92/15/97/492921597.db2.gz NGRSWQLAKMEQCB-HOTGVXAUSA-N 2 2 363.524 0.080 10 0 FCAELP C[C@@H]1C[C@H](NS(=O)(=O)C[C@@H]2C[NH+](C)CCO2)C[N@@H+]1Cc1ccccc1 ZINC000632096494 492928270 /nfs/dbraw/zinc/92/82/70/492928270.db2.gz ZGFBPHWJPDUMEN-NJAFHUGGSA-N 2 2 367.515 0.899 10 0 FCAELP C[C@@H]1C[C@H](NS(=O)(=O)C[C@@H]2C[NH+](C)CCO2)C[N@H+]1Cc1ccccc1 ZINC000632096494 492928272 /nfs/dbraw/zinc/92/82/72/492928272.db2.gz ZGFBPHWJPDUMEN-NJAFHUGGSA-N 2 2 367.515 0.899 10 0 FCAELP C[C@@H]1C[C@H](NS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)C[NH+]1Cc1ccccc1 ZINC000632096494 492928276 /nfs/dbraw/zinc/92/82/76/492928276.db2.gz ZGFBPHWJPDUMEN-NJAFHUGGSA-N 2 2 367.515 0.899 10 0 FCAELP C[C@@H]1C[C@H](NS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)C[NH+]1Cc1ccccc1 ZINC000632096494 492928281 /nfs/dbraw/zinc/92/82/81/492928281.db2.gz ZGFBPHWJPDUMEN-NJAFHUGGSA-N 2 2 367.515 0.899 10 0 FCAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[C@@H](OCC[NH+]3CCOCC3)C1)CC2 ZINC000626105938 492933631 /nfs/dbraw/zinc/93/36/31/492933631.db2.gz VJQIKXDUPYSGDZ-IAGOWNOFSA-N 2 2 362.474 0.704 10 0 FCAELP CCC[C@@H]1CN(S(=O)(=O)C[C@H]2C[NH+](C)CCO2)CC[N@H+]1CCOC ZINC000632163769 492941849 /nfs/dbraw/zinc/94/18/49/492941849.db2.gz BUHCOTIUYJZVMR-HZPDHXFCSA-N 2 2 363.524 0.080 10 0 FCAELP CCC[C@@H]1CN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CC[NH+]1CCOC ZINC000632163769 492941853 /nfs/dbraw/zinc/94/18/53/492941853.db2.gz BUHCOTIUYJZVMR-HZPDHXFCSA-N 2 2 363.524 0.080 10 0 FCAELP CCC[C@@H]1CN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCOC ZINC000632163769 492941858 /nfs/dbraw/zinc/94/18/58/492941858.db2.gz BUHCOTIUYJZVMR-HZPDHXFCSA-N 2 2 363.524 0.080 10 0 FCAELP COC[C@]1(C)C[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CCO1 ZINC000626170992 492941931 /nfs/dbraw/zinc/94/19/31/492941931.db2.gz SNJKUBKGOKDREX-WMZOPIPTSA-N 2 2 357.495 0.197 10 0 FCAELP COC[C@]1(C)C[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CCO1 ZINC000626170992 492941935 /nfs/dbraw/zinc/94/19/35/492941935.db2.gz SNJKUBKGOKDREX-WMZOPIPTSA-N 2 2 357.495 0.197 10 0 FCAELP COC[C@]1(C)C[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CCO1 ZINC000626170992 492941939 /nfs/dbraw/zinc/94/19/39/492941939.db2.gz SNJKUBKGOKDREX-WMZOPIPTSA-N 2 2 357.495 0.197 10 0 FCAELP COC[C@]1(C)C[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CCO1 ZINC000626170992 492941945 /nfs/dbraw/zinc/94/19/45/492941945.db2.gz SNJKUBKGOKDREX-WMZOPIPTSA-N 2 2 357.495 0.197 10 0 FCAELP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000645626322 492949918 /nfs/dbraw/zinc/94/99/18/492949918.db2.gz YXDWOPABSXBOQD-WMZOPIPTSA-N 2 2 372.469 0.620 10 0 FCAELP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000645626322 492949921 /nfs/dbraw/zinc/94/99/21/492949921.db2.gz YXDWOPABSXBOQD-WMZOPIPTSA-N 2 2 372.469 0.620 10 0 FCAELP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)CC1 ZINC000658576676 492963752 /nfs/dbraw/zinc/96/37/52/492963752.db2.gz JEIATYIPPXYOPR-OAHLLOKOSA-N 2 2 359.474 0.307 10 0 FCAELP CCN1C(=O)CO[C@H](C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)[C@H]1c1[nH+]ccn1C ZINC000626346745 492965619 /nfs/dbraw/zinc/96/56/19/492965619.db2.gz XVURXQKBUUVTOE-XRGAULLZSA-N 2 2 363.462 0.260 10 0 FCAELP CCN1C(=O)CO[C@H](C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)[C@H]1c1[nH+]ccn1C ZINC000626346745 492965622 /nfs/dbraw/zinc/96/56/22/492965622.db2.gz XVURXQKBUUVTOE-XRGAULLZSA-N 2 2 363.462 0.260 10 0 FCAELP CCN1C(=O)CO[C@H](C(=O)N(C)CCC[NH+](C)C)[C@H]1c1[nH+]ccn1C ZINC000626364760 492967082 /nfs/dbraw/zinc/96/70/82/492967082.db2.gz YNPVQSXKKWRSSW-GJZGRUSLSA-N 2 2 351.451 0.119 10 0 FCAELP C[C@@H]1[C@H](NS(=O)(=O)C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000632340168 492977233 /nfs/dbraw/zinc/97/72/33/492977233.db2.gz TXGCCZQQBPMISC-BPQIPLTHSA-N 2 2 367.515 0.899 10 0 FCAELP C[C@@H]1[C@H](NS(=O)(=O)C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000632340168 492977237 /nfs/dbraw/zinc/97/72/37/492977237.db2.gz TXGCCZQQBPMISC-BPQIPLTHSA-N 2 2 367.515 0.899 10 0 FCAELP C[C@@H]1[C@H](NS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000632340168 492977240 /nfs/dbraw/zinc/97/72/40/492977240.db2.gz TXGCCZQQBPMISC-BPQIPLTHSA-N 2 2 367.515 0.899 10 0 FCAELP C[C@@H]1[C@H](NS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000632340168 492977243 /nfs/dbraw/zinc/97/72/43/492977243.db2.gz TXGCCZQQBPMISC-BPQIPLTHSA-N 2 2 367.515 0.899 10 0 FCAELP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000658605872 492977726 /nfs/dbraw/zinc/97/77/26/492977726.db2.gz BZFSAEJJHKQMAT-INIZCTEOSA-N 2 2 368.522 0.545 10 0 FCAELP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000658605872 492977729 /nfs/dbraw/zinc/97/77/29/492977729.db2.gz BZFSAEJJHKQMAT-INIZCTEOSA-N 2 2 368.522 0.545 10 0 FCAELP CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)C[C@H]1C[NH3+] ZINC000652688634 492991272 /nfs/dbraw/zinc/99/12/72/492991272.db2.gz HENTXVXFTSFVOE-HYVNUMGLSA-N 2 2 360.458 0.112 10 0 FCAELP CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)C[C@H]1C[NH3+] ZINC000652688634 492991275 /nfs/dbraw/zinc/99/12/75/492991275.db2.gz HENTXVXFTSFVOE-HYVNUMGLSA-N 2 2 360.458 0.112 10 0 FCAELP C[NH2+]Cc1ccccc1CNC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000652720130 493002230 /nfs/dbraw/zinc/00/22/30/493002230.db2.gz XERRWVVFZXVWEE-UHFFFAOYSA-N 2 2 362.474 0.249 10 0 FCAELP C[NH2+]Cc1ccccc1CNC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000652720130 493002235 /nfs/dbraw/zinc/00/22/35/493002235.db2.gz XERRWVVFZXVWEE-UHFFFAOYSA-N 2 2 362.474 0.249 10 0 FCAELP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)C(=O)N3CC[NH+](C4CC4)CC3)C2)C1 ZINC000652726966 493005661 /nfs/dbraw/zinc/00/56/61/493005661.db2.gz WZQLQCFVYKGBQH-BFYDXBDKSA-N 2 2 364.490 0.038 10 0 FCAELP Cn1nc2c(c1S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)CCCC2 ZINC000632550198 493027429 /nfs/dbraw/zinc/02/74/29/493027429.db2.gz RUBFQMQQBSJYBJ-UHFFFAOYSA-N 2 2 357.524 0.461 10 0 FCAELP Cn1nc2c(c1S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCCC2 ZINC000632550198 493027431 /nfs/dbraw/zinc/02/74/31/493027431.db2.gz RUBFQMQQBSJYBJ-UHFFFAOYSA-N 2 2 357.524 0.461 10 0 FCAELP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000626841868 493032231 /nfs/dbraw/zinc/03/22/31/493032231.db2.gz GHUUZWSOZAGEQX-MRXNPFEDSA-N 2 2 374.441 0.040 10 0 FCAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626851018 493036432 /nfs/dbraw/zinc/03/64/32/493036432.db2.gz LTYSXNQEKXEWNV-OAHLLOKOSA-N 2 2 373.457 0.566 10 0 FCAELP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000632595714 493041132 /nfs/dbraw/zinc/04/11/32/493041132.db2.gz RBQMXMYYAJBRPY-XYPWUTKMSA-N 2 2 374.489 0.138 10 0 FCAELP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000632595714 493041136 /nfs/dbraw/zinc/04/11/36/493041136.db2.gz RBQMXMYYAJBRPY-XYPWUTKMSA-N 2 2 374.489 0.138 10 0 FCAELP C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C[NH2+]1 ZINC000626888823 493051622 /nfs/dbraw/zinc/05/16/22/493051622.db2.gz PTOPUUPCIWOUHU-CRAIPNDOSA-N 2 2 373.501 0.629 10 0 FCAELP CCN(C(=O)C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000658804369 493061478 /nfs/dbraw/zinc/06/14/78/493061478.db2.gz SPMYEDWJPMZURN-LVQVYYBASA-N 2 2 354.495 0.153 10 0 FCAELP CCN(C(=O)C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000658804369 493061480 /nfs/dbraw/zinc/06/14/80/493061480.db2.gz SPMYEDWJPMZURN-LVQVYYBASA-N 2 2 354.495 0.153 10 0 FCAELP CCN(C(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000658804369 493061483 /nfs/dbraw/zinc/06/14/83/493061483.db2.gz SPMYEDWJPMZURN-LVQVYYBASA-N 2 2 354.495 0.153 10 0 FCAELP CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000658804369 493061486 /nfs/dbraw/zinc/06/14/86/493061486.db2.gz SPMYEDWJPMZURN-LVQVYYBASA-N 2 2 354.495 0.153 10 0 FCAELP C[NH2+]CCOCCN(C)C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000626931313 493066671 /nfs/dbraw/zinc/06/66/71/493066671.db2.gz BEVOBHBJEYPJEG-OAHLLOKOSA-N 2 2 365.478 0.684 10 0 FCAELP Cc1cccc([C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)[NH+]2CCOCC2)c1 ZINC000653109743 493071799 /nfs/dbraw/zinc/07/17/99/493071799.db2.gz LFRGQEOGTHIYIN-NSHGMRRFSA-N 2 2 359.470 0.721 10 0 FCAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000626970869 493072259 /nfs/dbraw/zinc/07/22/59/493072259.db2.gz VCUVZWKDJRQPEX-SWLSCSKDSA-N 2 2 360.462 0.333 10 0 FCAELP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000653158901 493080270 /nfs/dbraw/zinc/08/02/70/493080270.db2.gz OWMQAYXFBXRFCU-HUUCEWRRSA-N 2 2 360.437 0.794 10 0 FCAELP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NCCC1(C[NH3+])CC1 ZINC000653221975 493084124 /nfs/dbraw/zinc/08/41/24/493084124.db2.gz MNBIUIPPBQJWSI-UHFFFAOYSA-N 2 2 353.488 0.881 10 0 FCAELP C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000627113574 493089490 /nfs/dbraw/zinc/08/94/90/493089490.db2.gz CTTFWLODAVXFSJ-BRWVUGGUSA-N 2 2 350.438 0.901 10 0 FCAELP C[N@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000627113574 493089492 /nfs/dbraw/zinc/08/94/92/493089492.db2.gz CTTFWLODAVXFSJ-BRWVUGGUSA-N 2 2 350.438 0.901 10 0 FCAELP O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)N[C@H]1CC12CC[NH2+]CC2 ZINC000627120072 493090543 /nfs/dbraw/zinc/09/05/43/493090543.db2.gz ZHCALKLUHXEILK-SJORKVTESA-N 2 2 359.474 0.724 10 0 FCAELP O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)N[C@H]1CC12CC[NH2+]CC2 ZINC000627120072 493090545 /nfs/dbraw/zinc/09/05/45/493090545.db2.gz ZHCALKLUHXEILK-SJORKVTESA-N 2 2 359.474 0.724 10 0 FCAELP [NH3+][C@H]1CCCCCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000632932283 493096793 /nfs/dbraw/zinc/09/67/93/493096793.db2.gz FZFITXMFKLBUJI-HNNXBMFYSA-N 2 2 350.467 0.951 10 0 FCAELP C[NH2+]CCOCCNC(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000627178552 493101708 /nfs/dbraw/zinc/10/17/08/493101708.db2.gz XAHSDIOFXIVNPS-UHFFFAOYSA-N 2 2 368.453 0.898 10 0 FCAELP [NH3+][C@H]1CCCCCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000633093182 493122837 /nfs/dbraw/zinc/12/28/37/493122837.db2.gz PEVRYTWSQWWXQR-HOTGVXAUSA-N 2 2 352.479 0.040 10 0 FCAELP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CCO1 ZINC000659001213 493123707 /nfs/dbraw/zinc/12/37/07/493123707.db2.gz QDYDBYSTRRIWLA-HNNXBMFYSA-N 2 2 359.430 0.842 10 0 FCAELP C[N@@H+]1C[C@H]2CCN(C(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)[C@H]2C1 ZINC000646937604 493128787 /nfs/dbraw/zinc/12/87/87/493128787.db2.gz OTTGMDUMIFTMKK-SJORKVTESA-N 2 2 371.485 0.673 10 0 FCAELP C[N@H+]1C[C@H]2CCN(C(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)[C@H]2C1 ZINC000646937604 493128793 /nfs/dbraw/zinc/12/87/93/493128793.db2.gz OTTGMDUMIFTMKK-SJORKVTESA-N 2 2 371.485 0.673 10 0 FCAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000627290673 493135412 /nfs/dbraw/zinc/13/54/12/493135412.db2.gz XKKWYQFKENZBKS-FGTMMUONSA-N 2 2 374.485 0.260 10 0 FCAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000627290673 493135416 /nfs/dbraw/zinc/13/54/16/493135416.db2.gz XKKWYQFKENZBKS-FGTMMUONSA-N 2 2 374.485 0.260 10 0 FCAELP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659071609 493138604 /nfs/dbraw/zinc/13/86/04/493138604.db2.gz PJUFGXPZGAZDHH-CJNGLKHVSA-N 2 2 357.414 0.687 10 0 FCAELP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000627297794 493140359 /nfs/dbraw/zinc/14/03/59/493140359.db2.gz TZFOEXFDVYTNNG-HUUCEWRRSA-N 2 2 354.401 0.633 10 0 FCAELP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000627297794 493140361 /nfs/dbraw/zinc/14/03/61/493140361.db2.gz TZFOEXFDVYTNNG-HUUCEWRRSA-N 2 2 354.401 0.633 10 0 FCAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627300418 493141156 /nfs/dbraw/zinc/14/11/56/493141156.db2.gz ZSEVFMSKUWGJOE-UHFFFAOYSA-N 2 2 373.457 0.475 10 0 FCAELP C[C@H]1CC[C@H](NC(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C[NH2+]1 ZINC000627301978 493142151 /nfs/dbraw/zinc/14/21/51/493142151.db2.gz UOIUERJBGQOCRK-YJBOKZPZSA-N 2 2 374.485 0.392 10 0 FCAELP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627309290 493144966 /nfs/dbraw/zinc/14/49/66/493144966.db2.gz MIDSTFNCKMHXPU-MRXNPFEDSA-N 2 2 355.442 0.862 10 0 FCAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000627312924 493146631 /nfs/dbraw/zinc/14/66/31/493146631.db2.gz NOGNMISDIHTQDL-ZJIFWQFVSA-N 2 2 352.479 0.003 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000659094931 493149922 /nfs/dbraw/zinc/14/99/22/493149922.db2.gz SSUKEAVWZGZJDH-UHFFFAOYSA-N 3 2 361.490 0.271 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000659094931 493149926 /nfs/dbraw/zinc/14/99/26/493149926.db2.gz SSUKEAVWZGZJDH-UHFFFAOYSA-N 3 2 361.490 0.271 10 0 FCAELP [NH3+]C1(CNC(=O)C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CCOCC1 ZINC000627324804 493154045 /nfs/dbraw/zinc/15/40/45/493154045.db2.gz NMVJMKSTCSAFJH-UHFFFAOYSA-N 2 2 365.821 0.228 10 0 FCAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659107374 493156844 /nfs/dbraw/zinc/15/68/44/493156844.db2.gz YPFHGNFDQYHYPR-CQSZACIVSA-N 2 2 363.462 0.655 10 0 FCAELP [NH3+][C@@H]1CN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)CC[C@H]1F ZINC000659109509 493157161 /nfs/dbraw/zinc/15/71/61/493157161.db2.gz IGKZCTXUAHFVFZ-HUUCEWRRSA-N 2 2 364.421 0.355 10 0 FCAELP CCN(CC[NH3+])C(=O)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000627344512 493164266 /nfs/dbraw/zinc/16/42/66/493164266.db2.gz INZDZRWTQYAZNZ-KBPBESRZSA-N 2 2 363.462 0.119 10 0 FCAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000627344467 493164557 /nfs/dbraw/zinc/16/45/57/493164557.db2.gz GXVJVPYVNYUKHT-GOEBONIOSA-N 2 2 359.474 0.945 10 0 FCAELP [NH3+][C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[C@H]1F ZINC000659424396 493172245 /nfs/dbraw/zinc/17/22/45/493172245.db2.gz DERMTAJUOFJQJK-BRWVUGGUSA-N 2 2 350.438 0.968 10 0 FCAELP [NH3+][C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[C@H]1F ZINC000659424396 493172250 /nfs/dbraw/zinc/17/22/50/493172250.db2.gz DERMTAJUOFJQJK-BRWVUGGUSA-N 2 2 350.438 0.968 10 0 FCAELP Cn1cnnc1N1CC[NH+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000653824068 493186138 /nfs/dbraw/zinc/18/61/38/493186138.db2.gz SBRMNCIREWWZJK-KRWDZBQOSA-N 2 2 371.489 0.356 10 0 FCAELP C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)[C@H](C[NH3+])C1 ZINC000659478276 493189958 /nfs/dbraw/zinc/18/99/58/493189958.db2.gz COSUWILBMUNAAF-QLFBSQMISA-N 2 2 362.478 0.680 10 0 FCAELP CC(C)(C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)[C@]1(O)CCOC1 ZINC000647340868 493195134 /nfs/dbraw/zinc/19/51/34/493195134.db2.gz PAWGVKWEGYCCLC-IBGZPJMESA-N 2 2 355.523 0.550 10 0 FCAELP CC(C)(C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1)[C@]1(O)CCOC1 ZINC000647340868 493195142 /nfs/dbraw/zinc/19/51/42/493195142.db2.gz PAWGVKWEGYCCLC-IBGZPJMESA-N 2 2 355.523 0.550 10 0 FCAELP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000659553519 493211550 /nfs/dbraw/zinc/21/15/50/493211550.db2.gz IXJBARKHHSUJLD-ROUUACIJSA-N 2 2 361.490 0.090 10 0 FCAELP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000659553519 493211552 /nfs/dbraw/zinc/21/15/52/493211552.db2.gz IXJBARKHHSUJLD-ROUUACIJSA-N 2 2 361.490 0.090 10 0 FCAELP C[C@H](CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627425132 493213002 /nfs/dbraw/zinc/21/30/02/493213002.db2.gz FYYDLSIEZARRCN-HIGHGGLBSA-N 2 2 366.506 0.058 10 0 FCAELP C[C@H](CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627425132 493213007 /nfs/dbraw/zinc/21/30/07/493213007.db2.gz FYYDLSIEZARRCN-HIGHGGLBSA-N 2 2 366.506 0.058 10 0 FCAELP C[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672639593 493222912 /nfs/dbraw/zinc/22/29/12/493222912.db2.gz MBOAICFPSNKZJI-OAGGEKHMSA-N 2 2 350.507 0.918 10 0 FCAELP C[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672639593 493222914 /nfs/dbraw/zinc/22/29/14/493222914.db2.gz MBOAICFPSNKZJI-OAGGEKHMSA-N 2 2 350.507 0.918 10 0 FCAELP C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672642848 493227660 /nfs/dbraw/zinc/22/76/60/493227660.db2.gz WUNKJADKRZEZJD-JKSUJKDBSA-N 2 2 350.507 0.920 10 0 FCAELP C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672642848 493227663 /nfs/dbraw/zinc/22/76/63/493227663.db2.gz WUNKJADKRZEZJD-JKSUJKDBSA-N 2 2 350.507 0.920 10 0 FCAELP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000659672207 493243249 /nfs/dbraw/zinc/24/32/49/493243249.db2.gz QNTXHQAWKUBWTQ-QWHCGFSZSA-N 2 2 368.428 0.770 10 0 FCAELP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000659672207 493243251 /nfs/dbraw/zinc/24/32/51/493243251.db2.gz QNTXHQAWKUBWTQ-QWHCGFSZSA-N 2 2 368.428 0.770 10 0 FCAELP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000659677905 493247452 /nfs/dbraw/zinc/24/74/52/493247452.db2.gz UIIKYKLQUASEGZ-TUKIKUTGSA-N 2 2 352.866 0.926 10 0 FCAELP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000659677905 493247456 /nfs/dbraw/zinc/24/74/56/493247456.db2.gz UIIKYKLQUASEGZ-TUKIKUTGSA-N 2 2 352.866 0.926 10 0 FCAELP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)NCC12CC(C1)C[NH2+]2)c1ccc(F)cc1 ZINC000659683350 493249637 /nfs/dbraw/zinc/24/96/37/493249637.db2.gz RWSOYXYABYASON-WXYZLBAPSA-N 2 2 371.416 0.633 10 0 FCAELP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)NCC12CC(C1)C[NH2+]2)c1ccccc1F ZINC000659683553 493250711 /nfs/dbraw/zinc/25/07/11/493250711.db2.gz VTKHESGQSAPSSV-WXYZLBAPSA-N 2 2 371.416 0.633 10 0 FCAELP C[C@H](CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000659691780 493255857 /nfs/dbraw/zinc/25/58/57/493255857.db2.gz SOWDTVVOGLOENR-MRVWCRGKSA-N 2 2 368.478 0.509 10 0 FCAELP C[C@H](CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000659691780 493255860 /nfs/dbraw/zinc/25/58/60/493255860.db2.gz SOWDTVVOGLOENR-MRVWCRGKSA-N 2 2 368.478 0.509 10 0 FCAELP C[NH+]1CCC(CNC(=O)N2CC[C@@H](CC(N)=O)C2)([NH+]2CCCCC2)CC1 ZINC000672902533 493264009 /nfs/dbraw/zinc/26/40/09/493264009.db2.gz BIPNACYEMRDAPS-INIZCTEOSA-N 2 2 365.522 0.844 10 0 FCAELP Cc1nn(C)c(C)c1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682270007 493283945 /nfs/dbraw/zinc/28/39/45/493283945.db2.gz GKLZNOGKABHVPF-CQSZACIVSA-N 2 2 362.478 0.260 10 0 FCAELP Cc1nn(C)c(C)c1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682270007 493283948 /nfs/dbraw/zinc/28/39/48/493283948.db2.gz GKLZNOGKABHVPF-CQSZACIVSA-N 2 2 362.478 0.260 10 0 FCAELP C[NH+](C)CCn1cc(NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cn1 ZINC000673869937 493369225 /nfs/dbraw/zinc/36/92/25/493369225.db2.gz GSRBLRALLQMFSN-UHFFFAOYSA-N 2 2 373.461 0.998 10 0 FCAELP CC[NH+]1CCC([N@@H+]2CCCN(CCN3C(=O)CN(C)C3=O)CC2)CC1 ZINC000660834933 493383299 /nfs/dbraw/zinc/38/32/99/493383299.db2.gz RXNYZOKQJKJXBY-UHFFFAOYSA-N 2 2 351.495 0.372 10 0 FCAELP CC[NH+]1CCC([N@H+]2CCCN(CCN3C(=O)CN(C)C3=O)CC2)CC1 ZINC000660834933 493383301 /nfs/dbraw/zinc/38/33/01/493383301.db2.gz RXNYZOKQJKJXBY-UHFFFAOYSA-N 2 2 351.495 0.372 10 0 FCAELP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000660856630 493387658 /nfs/dbraw/zinc/38/76/58/493387658.db2.gz RJWAIROPYZYLQE-MRXNPFEDSA-N 2 2 368.522 0.897 10 0 FCAELP C[C@@H]1COCC[N@H+]1CCNC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000660856630 493387662 /nfs/dbraw/zinc/38/76/62/493387662.db2.gz RJWAIROPYZYLQE-MRXNPFEDSA-N 2 2 368.522 0.897 10 0 FCAELP C[C@@H](NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1[nH+]ccn1C ZINC000660864568 493388954 /nfs/dbraw/zinc/38/89/54/493388954.db2.gz ORRFRZUZKQANEX-CABCVRRESA-N 2 2 350.467 0.187 10 0 FCAELP C[C@@H](NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1[nH+]ccn1C ZINC000660864568 493388955 /nfs/dbraw/zinc/38/89/55/493388955.db2.gz ORRFRZUZKQANEX-CABCVRRESA-N 2 2 350.467 0.187 10 0 FCAELP CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000668688296 493397142 /nfs/dbraw/zinc/39/71/42/493397142.db2.gz MNVIQZKUUQKLOG-MRXNPFEDSA-N 2 2 361.494 0.416 10 0 FCAELP CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000668688296 493397145 /nfs/dbraw/zinc/39/71/45/493397145.db2.gz MNVIQZKUUQKLOG-MRXNPFEDSA-N 2 2 361.494 0.416 10 0 FCAELP CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000668688292 493397516 /nfs/dbraw/zinc/39/75/16/493397516.db2.gz MNVIQZKUUQKLOG-INIZCTEOSA-N 2 2 361.494 0.416 10 0 FCAELP CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000668688292 493397518 /nfs/dbraw/zinc/39/75/18/493397518.db2.gz MNVIQZKUUQKLOG-INIZCTEOSA-N 2 2 361.494 0.416 10 0 FCAELP CO[C@@]1(CO)CCC[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000661390578 493432584 /nfs/dbraw/zinc/43/25/84/493432584.db2.gz WSXFWBREDGXQPC-LPHOPBHVSA-N 2 2 362.474 0.592 10 0 FCAELP CO[C@@]1(CO)CCC[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000661390578 493432586 /nfs/dbraw/zinc/43/25/86/493432586.db2.gz WSXFWBREDGXQPC-LPHOPBHVSA-N 2 2 362.474 0.592 10 0 FCAELP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000661396942 493434102 /nfs/dbraw/zinc/43/41/02/493434102.db2.gz OEQKOYZBOJLIME-GOEBONIOSA-N 2 2 365.522 0.854 10 0 FCAELP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000661396942 493434106 /nfs/dbraw/zinc/43/41/06/493434106.db2.gz OEQKOYZBOJLIME-GOEBONIOSA-N 2 2 365.522 0.854 10 0 FCAELP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cscn1 ZINC000668910387 493435719 /nfs/dbraw/zinc/43/57/19/493435719.db2.gz HIKZDWDTBBJEBX-STQMWFEESA-N 2 2 365.503 0.605 10 0 FCAELP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cscn1 ZINC000668910387 493435722 /nfs/dbraw/zinc/43/57/22/493435722.db2.gz HIKZDWDTBBJEBX-STQMWFEESA-N 2 2 365.503 0.605 10 0 FCAELP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[NH2+]C[C@@](C)(F)C3)cn2)CC1 ZINC000668989013 493447040 /nfs/dbraw/zinc/44/70/40/493447040.db2.gz MTYKJNJRERBFPO-GOSISDBHSA-N 2 2 364.469 0.676 10 0 FCAELP NS(=O)(=O)c1ccc(OCC[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000662156093 493493035 /nfs/dbraw/zinc/49/30/35/493493035.db2.gz IPLMTBOEZTZXHT-OAHLLOKOSA-N 2 2 369.487 0.244 10 0 FCAELP NS(=O)(=O)c1ccc(OCC[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000662156093 493493038 /nfs/dbraw/zinc/49/30/38/493493038.db2.gz IPLMTBOEZTZXHT-OAHLLOKOSA-N 2 2 369.487 0.244 10 0 FCAELP O=C(CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)NCC(=O)c1ccccc1 ZINC000662152924 493493100 /nfs/dbraw/zinc/49/31/00/493493100.db2.gz JJJVILOHKHWACV-SFHVURJKSA-N 2 2 359.470 0.907 10 0 FCAELP O=C(CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)NCC(=O)c1ccccc1 ZINC000662152924 493493103 /nfs/dbraw/zinc/49/31/03/493493103.db2.gz JJJVILOHKHWACV-SFHVURJKSA-N 2 2 359.470 0.907 10 0 FCAELP COc1cc(OC)cc(-n2nnnc2C[N@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662258890 493500927 /nfs/dbraw/zinc/50/09/27/493500927.db2.gz NRNPBCAYMPCBGV-AWEZNQCLSA-N 2 2 374.445 0.632 10 0 FCAELP COc1cc(OC)cc(-n2nnnc2C[N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662258890 493500931 /nfs/dbraw/zinc/50/09/31/493500931.db2.gz NRNPBCAYMPCBGV-AWEZNQCLSA-N 2 2 374.445 0.632 10 0 FCAELP O=C1[C@H]([NH+]2CCN(C[C@@H]3C[NH2+]CCO3)CC2)CCCN1Cc1ccccc1 ZINC000662281939 493502461 /nfs/dbraw/zinc/50/24/61/493502461.db2.gz MPYHEBLHNNCVOY-VQTJNVASSA-N 2 2 372.513 0.784 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676089836 493522789 /nfs/dbraw/zinc/52/27/89/493522789.db2.gz NTJUFDMEFNDZTD-ZDUSSCGKSA-N 2 2 358.402 0.043 10 0 FCAELP Cn1ccnc1C[NH+]1CCC(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000676342207 493546037 /nfs/dbraw/zinc/54/60/37/493546037.db2.gz ZFUBMEFWJVYXHS-KRWDZBQOSA-N 2 2 361.490 0.565 10 0 FCAELP COCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662922128 493553812 /nfs/dbraw/zinc/55/38/12/493553812.db2.gz OVBAVQLZWPKDEC-KRWDZBQOSA-N 2 2 366.506 0.015 10 0 FCAELP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662942659 493558090 /nfs/dbraw/zinc/55/80/90/493558090.db2.gz YRTOOGIUYHXGGI-MCIONIFRSA-N 2 2 351.426 0.854 10 0 FCAELP C[NH+]1CCN([C@@H](C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c2ccccc2)CC1 ZINC000670447002 493568999 /nfs/dbraw/zinc/56/89/99/493568999.db2.gz CCVFRENATXKVOW-WOJBJXKFSA-N 2 2 371.529 0.481 10 0 FCAELP C[NH+]1CCN([C@@H](C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c2ccccc2)CC1 ZINC000670447002 493569000 /nfs/dbraw/zinc/56/90/00/493569000.db2.gz CCVFRENATXKVOW-WOJBJXKFSA-N 2 2 371.529 0.481 10 0 FCAELP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2CCc3c(cccc3C(N)=O)C2)C1=O ZINC000663223553 493578169 /nfs/dbraw/zinc/57/81/69/493578169.db2.gz SAEKAMPWUUVMKN-INIZCTEOSA-N 2 2 358.442 0.223 10 0 FCAELP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+]2CCc3c(cccc3C(N)=O)C2)C1=O ZINC000663223553 493578172 /nfs/dbraw/zinc/57/81/72/493578172.db2.gz SAEKAMPWUUVMKN-INIZCTEOSA-N 2 2 358.442 0.223 10 0 FCAELP Cn1cc[nH+]c1[C@@H](NC(=O)NCCCC[NH+]1CCOCC1)C(C)(C)CO ZINC000663655984 493609933 /nfs/dbraw/zinc/60/99/33/493609933.db2.gz YKSHOALLBIWXTR-OAHLLOKOSA-N 2 2 367.494 0.891 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000670979364 493617744 /nfs/dbraw/zinc/61/77/44/493617744.db2.gz WTUKBJDUNSINSS-HNNXBMFYSA-N 2 2 356.430 0.824 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000670979365 493617753 /nfs/dbraw/zinc/61/77/53/493617753.db2.gz WTUKBJDUNSINSS-OAHLLOKOSA-N 2 2 356.430 0.824 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000670979180 493617813 /nfs/dbraw/zinc/61/78/13/493617813.db2.gz OBHUHKPKFOJDMP-INIZCTEOSA-N 2 2 359.474 0.851 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000663831725 493620864 /nfs/dbraw/zinc/62/08/64/493620864.db2.gz VHJBGBGIRKCYCD-INIZCTEOSA-N 2 2 361.490 0.975 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000663831725 493620866 /nfs/dbraw/zinc/62/08/66/493620866.db2.gz VHJBGBGIRKCYCD-INIZCTEOSA-N 2 2 361.490 0.975 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000670999349 493622811 /nfs/dbraw/zinc/62/28/11/493622811.db2.gz GQGHQCOUFYKHNA-IAGOWNOFSA-N 2 2 366.506 0.300 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCN4C(=O)N=NC4C3)CC2)CC1 ZINC000663877550 493622899 /nfs/dbraw/zinc/62/28/99/493622899.db2.gz ZLKHCWYUMFEMTA-UHFFFAOYSA-N 2 2 363.466 0.068 10 0 FCAELP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000664026396 493631383 /nfs/dbraw/zinc/63/13/83/493631383.db2.gz MKNQQDRMROPLHO-IRXDYDNUSA-N 2 2 355.527 0.375 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000671101462 493633557 /nfs/dbraw/zinc/63/35/57/493633557.db2.gz QPSDJROOOABIMW-IRXDYDNUSA-N 2 2 371.485 0.782 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000671101462 493633560 /nfs/dbraw/zinc/63/35/60/493633560.db2.gz QPSDJROOOABIMW-IRXDYDNUSA-N 2 2 371.485 0.782 10 0 FCAELP COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000664065921 493634006 /nfs/dbraw/zinc/63/40/06/493634006.db2.gz OYTSWEAFRFUFNQ-GJZGRUSLSA-N 2 2 367.494 0.890 10 0 FCAELP COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000664065921 493634008 /nfs/dbraw/zinc/63/40/08/493634008.db2.gz OYTSWEAFRFUFNQ-GJZGRUSLSA-N 2 2 367.494 0.890 10 0 FCAELP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671394381 493664686 /nfs/dbraw/zinc/66/46/86/493664686.db2.gz HLIUADQGUGMYNP-SFHVURJKSA-N 2 2 374.485 0.345 10 0 FCAELP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671394381 493664687 /nfs/dbraw/zinc/66/46/87/493664687.db2.gz HLIUADQGUGMYNP-SFHVURJKSA-N 2 2 374.485 0.345 10 0 FCAELP CC(C)Nc1nc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)nc(NCCO)[nH+]1 ZINC000664597415 493670281 /nfs/dbraw/zinc/67/02/81/493670281.db2.gz NYATXXGMBXDLKG-AWEZNQCLSA-N 2 2 365.482 0.132 10 0 FCAELP CC(C)Nc1nc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)nc(NCCO)[nH+]1 ZINC000664597415 493670282 /nfs/dbraw/zinc/67/02/82/493670282.db2.gz NYATXXGMBXDLKG-AWEZNQCLSA-N 2 2 365.482 0.132 10 0 FCAELP CC(C)Nc1nc(NCCO)[nH+]c(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)n1 ZINC000664597415 493670283 /nfs/dbraw/zinc/67/02/83/493670283.db2.gz NYATXXGMBXDLKG-AWEZNQCLSA-N 2 2 365.482 0.132 10 0 FCAELP CC(C)Nc1nc(NCCO)[nH+]c(N2CCC([N@H+]3CC[C@H](O)C3)CC2)n1 ZINC000664597415 493670284 /nfs/dbraw/zinc/67/02/84/493670284.db2.gz NYATXXGMBXDLKG-AWEZNQCLSA-N 2 2 365.482 0.132 10 0 FCAELP CC(C)Nc1nc(NCCO)nc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)[nH+]1 ZINC000664597415 493670285 /nfs/dbraw/zinc/67/02/85/493670285.db2.gz NYATXXGMBXDLKG-AWEZNQCLSA-N 2 2 365.482 0.132 10 0 FCAELP CC(C)Nc1nc(NCCO)nc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)[nH+]1 ZINC000664597415 493670286 /nfs/dbraw/zinc/67/02/86/493670286.db2.gz NYATXXGMBXDLKG-AWEZNQCLSA-N 2 2 365.482 0.132 10 0 FCAELP CCO[C@@H]1C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)[C@]12CCCO2 ZINC000664661454 493675909 /nfs/dbraw/zinc/67/59/09/493675909.db2.gz WSZJLIZPXIWCQT-LZLYRXPVSA-N 2 2 356.511 0.896 10 0 FCAELP CCO[C@@H]1C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)[C@]12CCCO2 ZINC000664661454 493675911 /nfs/dbraw/zinc/67/59/11/493675911.db2.gz WSZJLIZPXIWCQT-LZLYRXPVSA-N 2 2 356.511 0.896 10 0 FCAELP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000679386403 493677794 /nfs/dbraw/zinc/67/77/94/493677794.db2.gz LIYCHQSKZFMRHY-OAHLLOKOSA-N 2 2 355.508 0.863 10 0 FCAELP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@@H]2CCC[N@H+](C)C2)CC1 ZINC000679386403 493677797 /nfs/dbraw/zinc/67/77/97/493677797.db2.gz LIYCHQSKZFMRHY-OAHLLOKOSA-N 2 2 355.508 0.863 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1nc(-c2ccccn2)n[nH]1 ZINC000665061256 493697655 /nfs/dbraw/zinc/69/76/55/493697655.db2.gz ODQBRWDELIZMOC-UHFFFAOYSA-N 2 2 360.466 0.549 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1nc(-c2ccccn2)n[nH]1 ZINC000665061256 493697657 /nfs/dbraw/zinc/69/76/57/493697657.db2.gz ODQBRWDELIZMOC-UHFFFAOYSA-N 2 2 360.466 0.549 10 0 FCAELP Cn1ccnc1[C@H]1C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)CCO1 ZINC000665077962 493698225 /nfs/dbraw/zinc/69/82/25/493698225.db2.gz WWZNCNCCLROYMN-HZPDHXFCSA-N 2 2 366.510 0.823 10 0 FCAELP Cn1ccnc1[C@H]1C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000665077962 493698227 /nfs/dbraw/zinc/69/82/27/493698227.db2.gz WWZNCNCCLROYMN-HZPDHXFCSA-N 2 2 366.510 0.823 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1=O ZINC000679952068 493702963 /nfs/dbraw/zinc/70/29/63/493702963.db2.gz FRXVAIZITGKLAP-OAGGEKHMSA-N 2 2 374.489 0.837 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1=O ZINC000679952068 493702964 /nfs/dbraw/zinc/70/29/64/493702964.db2.gz FRXVAIZITGKLAP-OAGGEKHMSA-N 2 2 374.489 0.837 10 0 FCAELP Cc1nc(N2CCN(C(=O)Nc3cnn(CC[NH+](C)C)c3)CC2)cc[nH+]1 ZINC000680593343 493725425 /nfs/dbraw/zinc/72/54/25/493725425.db2.gz XXAPUXKVKAKYGX-UHFFFAOYSA-N 2 2 358.450 0.897 10 0 FCAELP C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C)[C@@H](C)C1 ZINC000665762463 493734686 /nfs/dbraw/zinc/73/46/86/493734686.db2.gz FCRMQEBRCUPQTI-YESZJQIVSA-N 3 2 357.543 0.355 10 0 FCAELP C[C@@H](O)C[N@H+]1CCN(C(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C)[C@@H](C)C1 ZINC000665762463 493734690 /nfs/dbraw/zinc/73/46/90/493734690.db2.gz FCRMQEBRCUPQTI-YESZJQIVSA-N 3 2 357.543 0.355 10 0 FCAELP C[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[C@@H](C)C1 ZINC000665762463 493734695 /nfs/dbraw/zinc/73/46/95/493734695.db2.gz FCRMQEBRCUPQTI-YESZJQIVSA-N 3 2 357.543 0.355 10 0 FCAELP O=C(NCc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672241087 493745844 /nfs/dbraw/zinc/74/58/44/493745844.db2.gz YOHGZNAFDSQIQX-GFCCVEGCSA-N 2 2 373.379 0.662 10 0 FCAELP O=C(NCc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672241087 493745846 /nfs/dbraw/zinc/74/58/46/493745846.db2.gz YOHGZNAFDSQIQX-GFCCVEGCSA-N 2 2 373.379 0.662 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N(C)CC2CC[NH+](C)CC2)CC1 ZINC000410502521 534423238 /nfs/dbraw/zinc/42/32/38/534423238.db2.gz ZNMCGUPFCYUPIH-UHFFFAOYSA-N 2 2 373.501 0.839 10 0 FCAELP Cc1nnc([C@@H]2CC[NH+](CC(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)C2)[nH]1 ZINC000412036622 534576714 /nfs/dbraw/zinc/57/67/14/534576714.db2.gz VQPCRLXHIURGJW-HZPDHXFCSA-N 2 2 364.494 0.375 10 0 FCAELP Cc1nnc([C@@H]2CC[NH+](CC(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)C2)[nH]1 ZINC000412036622 534576729 /nfs/dbraw/zinc/57/67/29/534576729.db2.gz VQPCRLXHIURGJW-HZPDHXFCSA-N 2 2 364.494 0.375 10 0 FCAELP Cc1nnc([C@@H]2CC[N@@H+](CC(=O)NC[C@@H]3C[NH+](CC(C)C)CCO3)C2)[nH]1 ZINC000412036622 534576739 /nfs/dbraw/zinc/57/67/39/534576739.db2.gz VQPCRLXHIURGJW-HZPDHXFCSA-N 2 2 364.494 0.375 10 0 FCAELP Cc1nnc([C@@H]2CC[N@H+](CC(=O)NC[C@@H]3C[NH+](CC(C)C)CCO3)C2)[nH]1 ZINC000412036622 534576743 /nfs/dbraw/zinc/57/67/43/534576743.db2.gz VQPCRLXHIURGJW-HZPDHXFCSA-N 2 2 364.494 0.375 10 0 FCAELP Cc1n[nH]c([C@@H]2CC[NH+](CC(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)C2)n1 ZINC000412036622 534576751 /nfs/dbraw/zinc/57/67/51/534576751.db2.gz VQPCRLXHIURGJW-HZPDHXFCSA-N 2 2 364.494 0.375 10 0 FCAELP Cc1n[nH]c([C@@H]2CC[NH+](CC(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)C2)n1 ZINC000412036622 534576758 /nfs/dbraw/zinc/57/67/58/534576758.db2.gz VQPCRLXHIURGJW-HZPDHXFCSA-N 2 2 364.494 0.375 10 0 FCAELP Cc1n[nH]c([C@@H]2CC[N@@H+](CC(=O)NC[C@@H]3C[NH+](CC(C)C)CCO3)C2)n1 ZINC000412036622 534576762 /nfs/dbraw/zinc/57/67/62/534576762.db2.gz VQPCRLXHIURGJW-HZPDHXFCSA-N 2 2 364.494 0.375 10 0 FCAELP Cc1n[nH]c([C@@H]2CC[N@H+](CC(=O)NC[C@@H]3C[NH+](CC(C)C)CCO3)C2)n1 ZINC000412036622 534576771 /nfs/dbraw/zinc/57/67/71/534576771.db2.gz VQPCRLXHIURGJW-HZPDHXFCSA-N 2 2 364.494 0.375 10 0 FCAELP CCC[C@H](O)[C@@H](CO)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000413318100 528273489 /nfs/dbraw/zinc/27/34/89/528273489.db2.gz NEXNLUQJQLLKFO-SJORKVTESA-N 2 2 370.538 0.758 10 0 FCAELP CC(C)[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C[C@@H]1CCC(=O)N1 ZINC000412067721 528858133 /nfs/dbraw/zinc/85/81/33/528858133.db2.gz FQZWFDBWRSTSIQ-HNNXBMFYSA-N 2 2 354.495 0.202 10 0 FCAELP CC(C)[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C[C@@H]1CCC(=O)N1 ZINC000412067721 528858134 /nfs/dbraw/zinc/85/81/34/528858134.db2.gz FQZWFDBWRSTSIQ-HNNXBMFYSA-N 2 2 354.495 0.202 10 0 FCAELP CC[C@@H](O)C[NH+]1CCN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000173457357 529228642 /nfs/dbraw/zinc/22/86/42/529228642.db2.gz FXJUDVXUPJKYOS-QGZVFWFLSA-N 2 2 364.490 0.312 10 0 FCAELP CC(C)[NH+]1CCC(N2CC[NH+](CCn3nc4ccccn4c3=O)CC2)CC1 ZINC000441036485 535155615 /nfs/dbraw/zinc/15/56/15/535155615.db2.gz SIRHUQRTXKMKIP-UHFFFAOYSA-N 2 2 372.517 0.986 10 0 FCAELP CC(C)[NH+]1CCC([NH+]2CCN(CCn3nc4ccccn4c3=O)CC2)CC1 ZINC000441036485 535155621 /nfs/dbraw/zinc/15/56/21/535155621.db2.gz SIRHUQRTXKMKIP-UHFFFAOYSA-N 2 2 372.517 0.986 10 0 FCAELP CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)NCC[NH3+] ZINC000419817396 535702178 /nfs/dbraw/zinc/70/21/78/535702178.db2.gz LUSOUIMKGQIQMV-PBHICJAKSA-N 2 2 361.490 0.524 10 0 FCAELP CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)NCC[NH3+] ZINC000419817396 535702184 /nfs/dbraw/zinc/70/21/84/535702184.db2.gz LUSOUIMKGQIQMV-PBHICJAKSA-N 2 2 361.490 0.524 10 0 FCAELP COC(=O)C1CCN(C(=O)C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000592182239 546618734 /nfs/dbraw/zinc/61/87/34/546618734.db2.gz 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C[C@H]1C[NH+](CCCNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H](C)O1 ZINC000929630120 1211651533 /nfs/dbraw/zinc/65/15/33/1211651533.db2.gz BKLHPZZXUYRPNG-FJIDUMEYSA-N 2 2 369.506 0.482 10 0 FCAELP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3[nH]nc4c3COCC4)CC2)CC1 ZINC000929973794 1211676889 /nfs/dbraw/zinc/67/68/89/1211676889.db2.gz MZGXNGFSNWJSBI-UHFFFAOYSA-N 2 2 361.490 0.859 10 0 FCAELP Cn1nc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1C=O ZINC000931253833 1211747395 /nfs/dbraw/zinc/74/73/95/1211747395.db2.gz CARWBMXHAPCHBF-UHFFFAOYSA-N 2 2 356.430 0.570 10 0 FCAELP O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000934951368 1211869576 /nfs/dbraw/zinc/86/95/76/1211869576.db2.gz DRBIZOKXHYLOEM-KURKYZTESA-N 2 2 369.506 0.219 10 0 FCAELP O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000934951368 1211869577 /nfs/dbraw/zinc/86/95/77/1211869577.db2.gz DRBIZOKXHYLOEM-KURKYZTESA-N 2 2 369.506 0.219 10 0 FCAELP C[NH+](C)CCOCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001490837129 1211871779 /nfs/dbraw/zinc/87/17/79/1211871779.db2.gz DSBZSXMZXQLTFF-OAGGEKHMSA-N 2 2 363.462 0.100 10 0 FCAELP C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CCCO1 ZINC000935654748 1211882317 /nfs/dbraw/zinc/88/23/17/1211882317.db2.gz HRKGVWVSSKNRIJ-KURKYZTESA-N 2 2 369.506 0.483 10 0 FCAELP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CCCO1 ZINC000935654748 1211882319 /nfs/dbraw/zinc/88/23/19/1211882319.db2.gz HRKGVWVSSKNRIJ-KURKYZTESA-N 2 2 369.506 0.483 10 0 FCAELP C[NH+](C)CCC[C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CCO1 ZINC000826702181 1212041638 /nfs/dbraw/zinc/04/16/38/1212041638.db2.gz DYMDWULDSJGNCC-KSZLIROESA-N 2 2 369.506 0.435 10 0 FCAELP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000638051277 1213048069 /nfs/dbraw/zinc/04/80/69/1213048069.db2.gz DSVUWSMFPNTUFY-OALUTQOASA-N 2 2 360.502 0.769 10 0 FCAELP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000638051277 1213048075 /nfs/dbraw/zinc/04/80/75/1213048075.db2.gz DSVUWSMFPNTUFY-OALUTQOASA-N 2 2 360.502 0.769 10 0 FCAELP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C3C[NH+]([C@H]4CCOC4)C3)cc2)CC1 ZINC000900348374 1217981506 /nfs/dbraw/zinc/98/15/06/1217981506.db2.gz XRWLQCHOYKSUNT-SFHVURJKSA-N 2 2 372.469 0.733 10 0 FCAELP C/C(=C\C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)C[NH+]1CCOCC1 ZINC000900640806 1218015747 /nfs/dbraw/zinc/01/57/47/1218015747.db2.gz GMKZOTBARHMYMC-JQIJEIRASA-N 2 2 366.506 0.324 10 0 FCAELP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000900926150 1218056997 /nfs/dbraw/zinc/05/69/97/1218056997.db2.gz PETVRBXAYYRWRQ-XLIONFOSSA-N 2 2 374.485 0.397 10 0 FCAELP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000900926150 1218057001 /nfs/dbraw/zinc/05/70/01/1218057001.db2.gz PETVRBXAYYRWRQ-XLIONFOSSA-N 2 2 374.485 0.397 10 0 FCAELP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cnn1C ZINC000903909936 1218561354 /nfs/dbraw/zinc/56/13/54/1218561354.db2.gz IZCXCYPPQAFJNP-ILZDJORESA-N 3 2 362.566 0.804 10 0 FCAELP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cnn1C ZINC000903909936 1218561358 /nfs/dbraw/zinc/56/13/58/1218561358.db2.gz IZCXCYPPQAFJNP-ILZDJORESA-N 3 2 362.566 0.804 10 0 FCAELP C[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903911105 1218561609 /nfs/dbraw/zinc/56/16/09/1218561609.db2.gz WZHNPYCBQYAYIR-AWEZNQCLSA-N 2 2 368.441 0.931 10 0 FCAELP C[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903911105 1218561617 /nfs/dbraw/zinc/56/16/17/1218561617.db2.gz WZHNPYCBQYAYIR-AWEZNQCLSA-N 2 2 368.441 0.931 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC[C@H]2C2OCCO2)C1 ZINC000726882719 1219658750 /nfs/dbraw/zinc/65/87/50/1219658750.db2.gz QYDGMFNJJYMUMQ-IRXDYDNUSA-N 2 2 369.506 0.687 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC[C@H]2C2OCCO2)C1 ZINC000726882719 1219658752 /nfs/dbraw/zinc/65/87/52/1219658752.db2.gz QYDGMFNJJYMUMQ-IRXDYDNUSA-N 2 2 369.506 0.687 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCCC[C@H]2C2OCCO2)C1 ZINC000726882719 1219658754 /nfs/dbraw/zinc/65/87/54/1219658754.db2.gz QYDGMFNJJYMUMQ-IRXDYDNUSA-N 2 2 369.506 0.687 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCCC[C@H]2C2OCCO2)C1 ZINC000726882719 1219658756 /nfs/dbraw/zinc/65/87/56/1219658756.db2.gz QYDGMFNJJYMUMQ-IRXDYDNUSA-N 2 2 369.506 0.687 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH+](C)C2)[C@H]1c1ccc(F)cc1 ZINC001117485040 1221555642 /nfs/dbraw/zinc/55/56/42/1221555642.db2.gz IXBYWWDEGVJRGE-YESZJQIVSA-N 2 2 362.449 0.898 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH+](C)C2)[C@H]1c1ccc(F)cc1 ZINC001117485040 1221555648 /nfs/dbraw/zinc/55/56/48/1221555648.db2.gz IXBYWWDEGVJRGE-YESZJQIVSA-N 2 2 362.449 0.898 10 0 FCAELP C[NH+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)[C@H]1c1ccc(F)cc1 ZINC001117485040 1221555653 /nfs/dbraw/zinc/55/56/53/1221555653.db2.gz IXBYWWDEGVJRGE-YESZJQIVSA-N 2 2 362.449 0.898 10 0 FCAELP C[NH+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)[C@H]1c1ccc(F)cc1 ZINC001117485040 1221555659 /nfs/dbraw/zinc/55/56/59/1221555659.db2.gz IXBYWWDEGVJRGE-YESZJQIVSA-N 2 2 362.449 0.898 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001118390204 1221772633 /nfs/dbraw/zinc/77/26/33/1221772633.db2.gz QHQDPDRPVXWKQD-HRCADAONSA-N 2 2 368.522 0.543 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001118390204 1221772636 /nfs/dbraw/zinc/77/26/36/1221772636.db2.gz QHQDPDRPVXWKQD-HRCADAONSA-N 2 2 368.522 0.543 10 0 FCAELP C[NH2+]CCCC(=O)N1CCC(NC(=O)N(C)CCCn2cc[nH+]c2)CC1 ZINC001118548215 1221799174 /nfs/dbraw/zinc/79/91/74/1221799174.db2.gz INWASLOFUIGIKY-UHFFFAOYSA-N 2 2 364.494 0.905 10 0 FCAELP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000842203879 1222841320 /nfs/dbraw/zinc/84/13/20/1222841320.db2.gz YFQHVLBETHFMSB-PXNSSMCTSA-N 2 2 356.470 0.891 10 0 FCAELP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000842203879 1222841322 /nfs/dbraw/zinc/84/13/22/1222841322.db2.gz YFQHVLBETHFMSB-PXNSSMCTSA-N 2 2 356.470 0.891 10 0 FCAELP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000842208919 1222841681 /nfs/dbraw/zinc/84/16/81/1222841681.db2.gz UCMNXAIPISBROV-DNVCBOLYSA-N 2 2 357.458 0.379 10 0 FCAELP C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)[nH]n1 ZINC001142898857 1222853704 /nfs/dbraw/zinc/85/37/04/1222853704.db2.gz RJQBIIMCYMIOJA-BBRMVZONSA-N 2 2 362.478 0.494 10 0 FCAELP C[N@H+]1CCC[C@H]1c1cc(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)[nH]n1 ZINC001142898857 1222853706 /nfs/dbraw/zinc/85/37/06/1222853706.db2.gz RJQBIIMCYMIOJA-BBRMVZONSA-N 2 2 362.478 0.494 10 0 FCAELP C[NH+]1CCC[C@H]1c1cc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)[nH]n1 ZINC001142898857 1222853707 /nfs/dbraw/zinc/85/37/07/1222853707.db2.gz RJQBIIMCYMIOJA-BBRMVZONSA-N 2 2 362.478 0.494 10 0 FCAELP C[NH+]1CCC[C@H]1c1cc(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)[nH]n1 ZINC001142898857 1222853708 /nfs/dbraw/zinc/85/37/08/1222853708.db2.gz RJQBIIMCYMIOJA-BBRMVZONSA-N 2 2 362.478 0.494 10 0 FCAELP O=C([C@H]1CCC[N@H+](Cc2cnn(-c3ccccc3)n2)C1)N1CC[NH2+]CC1 ZINC000843047396 1222857408 /nfs/dbraw/zinc/85/74/08/1222857408.db2.gz UAQCXQITAFBVMD-INIZCTEOSA-N 2 2 354.458 0.911 10 0 FCAELP O=C([C@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3)n2)C1)N1CC[NH2+]CC1 ZINC000843047396 1222857409 /nfs/dbraw/zinc/85/74/09/1222857409.db2.gz UAQCXQITAFBVMD-INIZCTEOSA-N 2 2 354.458 0.911 10 0 FCAELP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)[C@@H](C)CO1 ZINC000849609514 1245408900 /nfs/dbraw/zinc/40/89/00/1245408900.db2.gz XSOUNYCUXRCKQR-BURFUSLBSA-N 2 2 363.506 0.681 10 0 FCAELP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)[C@@H](C)CO1 ZINC000849609514 1245408903 /nfs/dbraw/zinc/40/89/03/1245408903.db2.gz XSOUNYCUXRCKQR-BURFUSLBSA-N 2 2 363.506 0.681 10 0 FCAELP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)[C@@H](C)CO1 ZINC000849609514 1245408906 /nfs/dbraw/zinc/40/89/06/1245408906.db2.gz XSOUNYCUXRCKQR-BURFUSLBSA-N 2 2 363.506 0.681 10 0 FCAELP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)[C@@H](C)CO1 ZINC000849609514 1245408908 /nfs/dbraw/zinc/40/89/08/1245408908.db2.gz XSOUNYCUXRCKQR-BURFUSLBSA-N 2 2 363.506 0.681 10 0 FCAELP Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000923398936 1245714108 /nfs/dbraw/zinc/71/41/08/1245714108.db2.gz OULNGRVTAPZCOI-KRWDZBQOSA-N 2 2 362.474 0.378 10 0 FCAELP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC001329161690 1265704815 /nfs/dbraw/zinc/70/48/15/1265704815.db2.gz AEFUYRCVXHPNCS-RYGJVYDSSA-N 2 2 373.501 0.659 10 0 FCAELP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)C1 ZINC001329952560 1265905611 /nfs/dbraw/zinc/90/56/11/1265905611.db2.gz QHNVSNRETCSKGG-JYJNAYRXSA-N 2 2 359.474 0.554 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001329999288 1265920078 /nfs/dbraw/zinc/92/00/78/1265920078.db2.gz BNZRWCYBMPCOKA-UHDSXZAQSA-N 2 2 368.522 0.589 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001329999288 1265920086 /nfs/dbraw/zinc/92/00/86/1265920086.db2.gz BNZRWCYBMPCOKA-UHDSXZAQSA-N 2 2 368.522 0.589 10 0 FCAELP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H](C[NH2+]Cc1ncnn1C)C1CC1 ZINC001331323783 1266193995 /nfs/dbraw/zinc/19/39/95/1266193995.db2.gz HNDAMCGDPQMBIN-KFWWJZLASA-N 2 2 357.462 0.679 10 0 FCAELP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001521931842 1266237067 /nfs/dbraw/zinc/23/70/67/1266237067.db2.gz HUQNZUNEPHCMET-HZPDHXFCSA-N 2 2 361.490 0.968 10 0 FCAELP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cn(C[C@@H]4CCOC4)nn3)cn2)CC1 ZINC001261850719 1260198138 /nfs/dbraw/zinc/19/81/38/1260198138.db2.gz WMHDWSYJJKCYPP-KRWDZBQOSA-N 2 2 371.489 0.751 10 0 FCAELP CN(C(=O)c1cn([C@@H]2CC[C@H]2O)nn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001262155426 1260271268 /nfs/dbraw/zinc/27/12/68/1260271268.db2.gz KWUBHCHCIASPFU-DJIMGWMZSA-N 2 2 362.478 0.214 10 0 FCAELP CN(C(=O)c1cn([C@@H]2CC[C@H]2O)nn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001262155426 1260271271 /nfs/dbraw/zinc/27/12/71/1260271271.db2.gz KWUBHCHCIASPFU-DJIMGWMZSA-N 2 2 362.478 0.214 10 0 FCAELP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC001264709534 1260397997 /nfs/dbraw/zinc/39/79/97/1260397997.db2.gz YGZWMCUMEBQWIE-KGLIPLIRSA-N 2 2 365.478 0.040 10 0 FCAELP CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC001264709534 1260398003 /nfs/dbraw/zinc/39/80/03/1260398003.db2.gz YGZWMCUMEBQWIE-KGLIPLIRSA-N 2 2 365.478 0.040 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC001264729592 1260404877 /nfs/dbraw/zinc/40/48/77/1260404877.db2.gz XDANZMAPHURSLH-OIISXLGYSA-N 2 2 360.462 0.189 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC001264729592 1260404882 /nfs/dbraw/zinc/40/48/82/1260404882.db2.gz XDANZMAPHURSLH-OIISXLGYSA-N 2 2 360.462 0.189 10 0 FCAELP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C[C@H]1C(F)(F)F ZINC001332232055 1266363076 /nfs/dbraw/zinc/36/30/76/1266363076.db2.gz NMEXPUKKELLFHN-VXGBXAGGSA-N 2 2 373.379 0.711 10 0 FCAELP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C[C@H]1C(F)(F)F ZINC001332232055 1266363087 /nfs/dbraw/zinc/36/30/87/1266363087.db2.gz NMEXPUKKELLFHN-VXGBXAGGSA-N 2 2 373.379 0.711 10 0 FCAELP CO[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CCC1 ZINC001280495735 1261063838 /nfs/dbraw/zinc/06/38/38/1261063838.db2.gz ZBTXTUYDKKFBNR-BBWFWOEESA-N 2 2 369.506 0.530 10 0 FCAELP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001282515885 1261499125 /nfs/dbraw/zinc/49/91/25/1261499125.db2.gz IVOQBYWGEBWZCP-KLHDSHLOSA-N 2 2 361.490 0.686 10 0 FCAELP 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C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCn2cc[nH+]c2)C3)CC[N@@H+]1C ZINC001686221376 1292835233 /nfs/dbraw/zinc/83/52/33/1292835233.db2.gz RXXMSAZLPVZTBE-HHARLNAUSA-N 2 2 359.474 0.862 10 0 FCAELP C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCn2cc[nH+]c2)C3)CC[N@H+]1C ZINC001686221376 1292835245 /nfs/dbraw/zinc/83/52/45/1292835245.db2.gz RXXMSAZLPVZTBE-HHARLNAUSA-N 2 2 359.474 0.862 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)c1 ZINC001686720907 1292951437 /nfs/dbraw/zinc/95/14/37/1292951437.db2.gz LVVXQEWDGVIVML-UHFFFAOYSA-N 2 2 364.494 0.058 10 0 FCAELP CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)NCC[NH+]3CCC([NH3+])CC3)[C@@H]2C1 ZINC001120536233 848236237 /nfs/dbraw/zinc/23/62/37/848236237.db2.gz KHTOGRQPZVBXNW-UAGQMJEPSA-N 2 2 351.495 0.356 10 0 FCAELP CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)NCC[NH+]3CCC([NH3+])CC3)[C@@H]2C1 ZINC001120536235 848236280 /nfs/dbraw/zinc/23/62/80/848236280.db2.gz KHTOGRQPZVBXNW-USXIJHARSA-N 2 2 351.495 0.356 10 0 FCAELP C/C(=C\C(=O)N[C@@H]1CCC[C@@H]1[NH+]1CCC(O)CC1)C[NH+]1CCOCC1 ZINC001123861855 848647101 /nfs/dbraw/zinc/64/71/01/848647101.db2.gz KPUXGIMQCXPFJR-AKTZAPLRSA-N 2 2 351.491 0.759 10 0 FCAELP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC001261890314 858701785 /nfs/dbraw/zinc/70/17/85/858701785.db2.gz AXUPIPPEKIOJLK-JLLWLGSASA-N 2 2 350.385 0.168 10 0 FCAELP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC001261890314 858701789 /nfs/dbraw/zinc/70/17/89/858701789.db2.gz AXUPIPPEKIOJLK-JLLWLGSASA-N 2 2 350.385 0.168 10 0 FCAELP C[C@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001265550697 859462386 /nfs/dbraw/zinc/46/23/86/859462386.db2.gz INKZVSBEGRIOFJ-SIRPWMCASA-N 2 2 357.470 0.851 10 0 FCAELP CS(=O)(=O)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001265673917 859463623 /nfs/dbraw/zinc/46/36/23/859463623.db2.gz OFRUSTWYRUQYLM-MGPQQGTHSA-N 2 2 354.476 0.529 10 0 FCAELP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CC(=O)Nc1nncs1 ZINC001266151277 859472655 /nfs/dbraw/zinc/47/26/55/859472655.db2.gz AKHBMYGJCOPIKX-HBNTYKKESA-N 2 2 363.447 0.488 10 0 FCAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[NH2+]CC(=O)NCC(F)(F)F ZINC001267990414 859519808 /nfs/dbraw/zinc/51/98/08/859519808.db2.gz GALDWUPLSLMCGS-GMTAPVOTSA-N 2 2 361.368 0.534 10 0 FCAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[NH2+]CC(=O)NCC(F)(F)F ZINC001267990414 859519810 /nfs/dbraw/zinc/51/98/10/859519810.db2.gz GALDWUPLSLMCGS-GMTAPVOTSA-N 2 2 361.368 0.534 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCC2([NH2+]Cc3ncnn3CC(F)F)CC2)CC[N@@H+]1C ZINC001269416013 859548681 /nfs/dbraw/zinc/54/86/81/859548681.db2.gz ODCMIYOCABIYPL-VXGBXAGGSA-N 2 2 356.421 0.622 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCC2([NH2+]Cc3ncnn3CC(F)F)CC2)CC[N@H+]1C ZINC001269416013 859548686 /nfs/dbraw/zinc/54/86/86/859548686.db2.gz ODCMIYOCABIYPL-VXGBXAGGSA-N 2 2 356.421 0.622 10 0 FCAELP CCS(=O)(=O)CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001270077630 859644731 /nfs/dbraw/zinc/64/47/31/859644731.db2.gz SGGUDCNXXWPHKF-RRFJBIMHSA-N 2 2 368.503 0.919 10 0 FCAELP CCS(=O)(=O)CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001270077630 859644735 /nfs/dbraw/zinc/64/47/35/859644735.db2.gz SGGUDCNXXWPHKF-RRFJBIMHSA-N 2 2 368.503 0.919 10 0 FCAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[NH2+]CC1CCS(=O)(=O)CC1 ZINC001270428029 859749198 /nfs/dbraw/zinc/74/91/98/859749198.db2.gz UWGGBBHJWZGTQI-NWANDNLSSA-N 2 2 368.503 0.680 10 0 FCAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[NH2+]CC1CCS(=O)(=O)CC1 ZINC001270428029 859749201 /nfs/dbraw/zinc/74/92/01/859749201.db2.gz UWGGBBHJWZGTQI-NWANDNLSSA-N 2 2 368.503 0.680 10 0 FCAELP CCC[N@H+](C)CC(=O)N1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H]1CC ZINC001282250578 864138960 /nfs/dbraw/zinc/13/89/60/864138960.db2.gz NTIZNQMXZXWQQQ-ARFHVFGLSA-N 2 2 354.495 0.155 10 0 FCAELP CCC[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H]1CC ZINC001282250578 864138966 /nfs/dbraw/zinc/13/89/66/864138966.db2.gz NTIZNQMXZXWQQQ-ARFHVFGLSA-N 2 2 354.495 0.155 10 0 FCAELP CCC[NH+](C)CC(=O)N1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1CC ZINC001282250578 864138979 /nfs/dbraw/zinc/13/89/79/864138979.db2.gz NTIZNQMXZXWQQQ-ARFHVFGLSA-N 2 2 354.495 0.155 10 0 FCAELP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](CC(=O)NCC(C)(C)C)C1 ZINC001282715125 864414142 /nfs/dbraw/zinc/41/41/42/864414142.db2.gz OSNVNEHLSKFQDF-SQWLQELKSA-N 2 2 352.523 0.925 10 0 FCAELP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](CC(=O)NCC(C)(C)C)C1 ZINC001282715125 864414148 /nfs/dbraw/zinc/41/41/48/864414148.db2.gz OSNVNEHLSKFQDF-SQWLQELKSA-N 2 2 352.523 0.925 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@]1(C)CC1(F)F ZINC001350182836 866525322 /nfs/dbraw/zinc/52/53/22/866525322.db2.gz UCHXJDNLXQOMGN-INIZCTEOSA-N 2 2 360.449 0.632 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@]1(C)CC1(F)F ZINC001350182836 866525335 /nfs/dbraw/zinc/52/53/35/866525335.db2.gz UCHXJDNLXQOMGN-INIZCTEOSA-N 2 2 360.449 0.632 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@]3(C)CC3(C)C)C2)CC1 ZINC001350405891 866587347 /nfs/dbraw/zinc/58/73/47/866587347.db2.gz RQADEBNKIDUUIC-KUHUBIRLSA-N 2 2 350.507 0.824 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@]3(C)CC3(C)C)C2)CC1 ZINC001350405891 866587358 /nfs/dbraw/zinc/58/73/58/866587358.db2.gz RQADEBNKIDUUIC-KUHUBIRLSA-N 2 2 350.507 0.824 10 0 FCAELP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NC[C@H]2CCCO2)[C@@H]1C ZINC001316799807 867503651 /nfs/dbraw/zinc/50/36/51/867503651.db2.gz JOTDRGFRUAXOAM-OAGGEKHMSA-N 2 2 354.495 0.201 10 0 FCAELP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NC[C@H]2CCCO2)[C@@H]1C ZINC001316799807 867503664 /nfs/dbraw/zinc/50/36/64/867503664.db2.gz JOTDRGFRUAXOAM-OAGGEKHMSA-N 2 2 354.495 0.201 10 0 FCAELP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCCO2)[C@@H]1C ZINC001316799807 867503679 /nfs/dbraw/zinc/50/36/79/867503679.db2.gz JOTDRGFRUAXOAM-OAGGEKHMSA-N 2 2 354.495 0.201 10 0 FCAELP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCO2)[C@@H]1C ZINC001316799807 867503689 /nfs/dbraw/zinc/50/36/89/867503689.db2.gz JOTDRGFRUAXOAM-OAGGEKHMSA-N 2 2 354.495 0.201 10 0 FCAELP CN(CC[NH2+]C[C@@H]1CCCS(=O)(=O)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001317628119 867544452 /nfs/dbraw/zinc/54/44/52/867544452.db2.gz GLCBDSHTGNPWAI-RRFJBIMHSA-N 2 2 368.503 0.396 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)n1 ZINC001354819266 867675002 /nfs/dbraw/zinc/67/50/02/867675002.db2.gz RLJLDAIVSILQNL-BJHJDKERSA-N 2 2 353.492 0.277 10 0 FCAELP C[C@@H](C[NH2+]CCNC(=O)NC(C)(C)C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001321878469 868648031 /nfs/dbraw/zinc/64/80/31/868648031.db2.gz OOXSNCVSHOLFDJ-YNEHKIRRSA-N 2 2 350.467 0.705 10 0 FCAELP C[C@@H](C[NH2+]CCNC(=O)NC(C)(C)C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001321878469 868648039 /nfs/dbraw/zinc/64/80/39/868648039.db2.gz OOXSNCVSHOLFDJ-YNEHKIRRSA-N 2 2 350.467 0.705 10 0 FCAELP Cc1cnc(C[NH+]2CC[C@@](O)(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)s1 ZINC001325098397 869776580 /nfs/dbraw/zinc/77/65/80/869776580.db2.gz RUOPCBHFGCYNJP-CKEIUWERSA-N 2 2 352.504 0.845 10 0 FCAELP Cc1cnc(C[NH+]2CC[C@@](O)(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)s1 ZINC001325098397 869776591 /nfs/dbraw/zinc/77/65/91/869776591.db2.gz RUOPCBHFGCYNJP-CKEIUWERSA-N 2 2 352.504 0.845 10 0 FCAELP Cc1cnc(C[N@H+]2CC[C@@](O)(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)s1 ZINC001325098397 869776600 /nfs/dbraw/zinc/77/66/00/869776600.db2.gz RUOPCBHFGCYNJP-CKEIUWERSA-N 2 2 352.504 0.845 10 0 FCAELP Cc1cnc(C[N@@H+]2CC[C@@](O)(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)s1 ZINC001325098397 869776611 /nfs/dbraw/zinc/77/66/11/869776611.db2.gz RUOPCBHFGCYNJP-CKEIUWERSA-N 2 2 352.504 0.845 10 0 FCAELP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC001327932657 871144892 /nfs/dbraw/zinc/14/48/92/871144892.db2.gz MQMRCQUIIHPXFV-MGPQQGTHSA-N 2 2 351.426 0.099 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@]3(C)CC3(F)F)C2)CC1 ZINC001327986768 871169953 /nfs/dbraw/zinc/16/99/53/871169953.db2.gz JEFGJKLLYGQLAX-MLGOLLRUSA-N 2 2 358.433 0.433 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@]3(C)CC3(F)F)C2)CC1 ZINC001327986768 871169976 /nfs/dbraw/zinc/16/99/76/871169976.db2.gz JEFGJKLLYGQLAX-MLGOLLRUSA-N 2 2 358.433 0.433 10 0 FCAELP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)C[N@@H+]2C1 ZINC001345932053 871567336 /nfs/dbraw/zinc/56/73/36/871567336.db2.gz NGVBAEVOFNWUDW-VYDXJSESSA-N 2 2 371.547 0.732 10 0 FCAELP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)C[N@H+]2C1 ZINC001345932053 871567354 /nfs/dbraw/zinc/56/73/54/871567354.db2.gz NGVBAEVOFNWUDW-VYDXJSESSA-N 2 2 371.547 0.732 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC[C@@H]3CC3(F)F)C2)CC1 ZINC001331077632 872947943 /nfs/dbraw/zinc/94/79/43/872947943.db2.gz LXXGBKPHKDGVAL-OLZOCXBDSA-N 2 2 358.433 0.433 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC[C@@H]3CC3(F)F)C2)CC1 ZINC001331077632 872947947 /nfs/dbraw/zinc/94/79/47/872947947.db2.gz LXXGBKPHKDGVAL-OLZOCXBDSA-N 2 2 358.433 0.433 10 0 FCAELP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292264862 214089921 /nfs/dbraw/zinc/08/99/21/214089921.db2.gz YZXKAZRTINSOOI-APWZRJJASA-N 2 2 358.490 0.541 10 0 FCAELP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292264862 214089923 /nfs/dbraw/zinc/08/99/23/214089923.db2.gz YZXKAZRTINSOOI-APWZRJJASA-N 2 2 358.490 0.541 10 0 FCAELP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292264862 214089926 /nfs/dbraw/zinc/08/99/26/214089926.db2.gz YZXKAZRTINSOOI-APWZRJJASA-N 2 2 358.490 0.541 10 0 FCAELP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292264862 214089928 /nfs/dbraw/zinc/08/99/28/214089928.db2.gz YZXKAZRTINSOOI-APWZRJJASA-N 2 2 358.490 0.541 10 0 FCAELP C[NH+]1CCC(OCC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000930504983 674032319 /nfs/dbraw/zinc/03/23/19/674032319.db2.gz GJQFWKCCHXRHQV-QGZVFWFLSA-N 2 2 357.520 0.421 10 0 FCAELP CCS(=O)(=O)NCC[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000328632593 210120086 /nfs/dbraw/zinc/12/00/86/210120086.db2.gz LLAHUOOVIKQRBM-GOEBONIOSA-N 2 2 357.524 0.674 10 0 FCAELP CCS(=O)(=O)NCC[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000328632593 210120091 /nfs/dbraw/zinc/12/00/91/210120091.db2.gz LLAHUOOVIKQRBM-GOEBONIOSA-N 2 2 357.524 0.674 10 0 FCAELP CCS(=O)(=O)NCC[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000328632593 210120095 /nfs/dbraw/zinc/12/00/95/210120095.db2.gz LLAHUOOVIKQRBM-GOEBONIOSA-N 2 2 357.524 0.674 10 0 FCAELP CCS(=O)(=O)NCC[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000328632593 210120099 /nfs/dbraw/zinc/12/00/99/210120099.db2.gz LLAHUOOVIKQRBM-GOEBONIOSA-N 2 2 357.524 0.674 10 0 FCAELP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@@H](CN(C)c2nccn(C)c2=O)C1 ZINC000328629069 210117811 /nfs/dbraw/zinc/11/78/11/210117811.db2.gz HWRGDZMJWCZIBX-INIZCTEOSA-N 2 2 360.462 0.513 10 0 FCAELP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@@H](CN(C)c2nccn(C)c2=O)C1 ZINC000328629069 210117813 /nfs/dbraw/zinc/11/78/13/210117813.db2.gz HWRGDZMJWCZIBX-INIZCTEOSA-N 2 2 360.462 0.513 10 0 FCAELP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCO1 ZINC000333206964 215249989 /nfs/dbraw/zinc/24/99/89/215249989.db2.gz AVHDBHHIBCPNQN-WTXIUTQJSA-N 2 2 367.494 0.879 10 0 FCAELP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCO1 ZINC000333206964 215249993 /nfs/dbraw/zinc/24/99/93/215249993.db2.gz AVHDBHHIBCPNQN-WTXIUTQJSA-N 2 2 367.494 0.879 10 0 FCAELP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCO1 ZINC000333206964 215250000 /nfs/dbraw/zinc/25/00/00/215250000.db2.gz AVHDBHHIBCPNQN-WTXIUTQJSA-N 2 2 367.494 0.879 10 0 FCAELP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000333206964 215250007 /nfs/dbraw/zinc/25/00/07/215250007.db2.gz AVHDBHHIBCPNQN-WTXIUTQJSA-N 2 2 367.494 0.879 10 0 FCAELP C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCO1 ZINC000333206963 215249803 /nfs/dbraw/zinc/24/98/03/215249803.db2.gz AVHDBHHIBCPNQN-UYTSQGDYSA-N 2 2 367.494 0.879 10 0 FCAELP C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCO1 ZINC000333206963 215249807 /nfs/dbraw/zinc/24/98/07/215249807.db2.gz AVHDBHHIBCPNQN-UYTSQGDYSA-N 2 2 367.494 0.879 10 0 FCAELP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCO1 ZINC000333206963 215249810 /nfs/dbraw/zinc/24/98/10/215249810.db2.gz AVHDBHHIBCPNQN-UYTSQGDYSA-N 2 2 367.494 0.879 10 0 FCAELP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000333206963 215249812 /nfs/dbraw/zinc/24/98/12/215249812.db2.gz AVHDBHHIBCPNQN-UYTSQGDYSA-N 2 2 367.494 0.879 10 0 FCAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)nc[nH+]1 ZINC000333435426 215280203 /nfs/dbraw/zinc/28/02/03/215280203.db2.gz VHOSYAPYWRVGGU-YJNKXOJESA-N 2 2 359.478 0.866 10 0 FCAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)[nH+]cn1 ZINC000333435426 215280205 /nfs/dbraw/zinc/28/02/05/215280205.db2.gz VHOSYAPYWRVGGU-YJNKXOJESA-N 2 2 359.478 0.866 10 0 FCAELP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333898963 215329373 /nfs/dbraw/zinc/32/93/73/215329373.db2.gz ZMPDGLUMYMIVAF-HOTGVXAUSA-N 2 2 351.495 0.467 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)C[NH+]1CCOCC1 ZINC000285777868 213392892 /nfs/dbraw/zinc/39/28/92/213392892.db2.gz FLOIEHHFBWLIQO-AWEZNQCLSA-N 2 2 363.462 0.200 10 0 FCAELP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CC[C@@H]4OCC[NH+](C)[C@H]4C3)cc2C1 ZINC000285111459 213285693 /nfs/dbraw/zinc/28/56/93/213285693.db2.gz HSEQGLRQKLHWDV-IRXDYDNUSA-N 2 2 358.442 0.502 10 0 FCAELP C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CC[C@@H]4OCC[NH+](C)[C@H]4C3)cc2C1 ZINC000285111459 213285695 /nfs/dbraw/zinc/28/56/95/213285695.db2.gz HSEQGLRQKLHWDV-IRXDYDNUSA-N 2 2 358.442 0.502 10 0 FCAELP C[NH+]1Cc2ccc(NC(=O)C(=O)N3CC[C@@H]4OCC[N@H+](C)[C@H]4C3)cc2C1 ZINC000285111459 213285697 /nfs/dbraw/zinc/28/56/97/213285697.db2.gz HSEQGLRQKLHWDV-IRXDYDNUSA-N 2 2 358.442 0.502 10 0 FCAELP C[NH+]1Cc2ccc(NC(=O)C(=O)N3CC[C@@H]4OCC[N@@H+](C)[C@H]4C3)cc2C1 ZINC000285111459 213285700 /nfs/dbraw/zinc/28/57/00/213285700.db2.gz HSEQGLRQKLHWDV-IRXDYDNUSA-N 2 2 358.442 0.502 10 0 FCAELP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000284942957 213253851 /nfs/dbraw/zinc/25/38/51/213253851.db2.gz OCZCVSNYWMDHKU-UHFFFAOYSA-N 2 2 370.457 0.826 10 0 FCAELP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000284892806 213242616 /nfs/dbraw/zinc/24/26/16/213242616.db2.gz LZBWEULIPDKFSE-CQSZACIVSA-N 2 2 358.446 0.730 10 0 FCAELP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000284892806 213242618 /nfs/dbraw/zinc/24/26/18/213242618.db2.gz LZBWEULIPDKFSE-CQSZACIVSA-N 2 2 358.446 0.730 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000284139010 213082102 /nfs/dbraw/zinc/08/21/02/213082102.db2.gz VEPYKNQZRNJBEP-BPQIPLTHSA-N 2 2 374.485 0.385 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000284139010 213082105 /nfs/dbraw/zinc/08/21/05/213082105.db2.gz VEPYKNQZRNJBEP-BPQIPLTHSA-N 2 2 374.485 0.385 10 0 FCAELP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000367341164 216110674 /nfs/dbraw/zinc/11/06/74/216110674.db2.gz FOOPNXAHPCFKLF-QGZVFWFLSA-N 2 2 352.523 0.726 10 0 FCAELP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000367341164 216110677 /nfs/dbraw/zinc/11/06/77/216110677.db2.gz FOOPNXAHPCFKLF-QGZVFWFLSA-N 2 2 352.523 0.726 10 0 FCAELP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245443405 209368339 /nfs/dbraw/zinc/36/83/39/209368339.db2.gz XDLPKXBRBGWRNK-KURKYZTESA-N 2 2 352.523 0.772 10 0 FCAELP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245443405 209368344 /nfs/dbraw/zinc/36/83/44/209368344.db2.gz XDLPKXBRBGWRNK-KURKYZTESA-N 2 2 352.523 0.772 10 0 FCAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)nc[nH+]1 ZINC000245497535 209368041 /nfs/dbraw/zinc/36/80/41/209368041.db2.gz UJMWDUPFDQEBIT-CABCVRRESA-N 2 2 359.478 0.977 10 0 FCAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)nc[nH+]1 ZINC000245497535 209368042 /nfs/dbraw/zinc/36/80/42/209368042.db2.gz UJMWDUPFDQEBIT-CABCVRRESA-N 2 2 359.478 0.977 10 0 FCAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)[nH+]cn1 ZINC000245497535 209368043 /nfs/dbraw/zinc/36/80/43/209368043.db2.gz UJMWDUPFDQEBIT-CABCVRRESA-N 2 2 359.478 0.977 10 0 FCAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)[nH+]cn1 ZINC000245497535 209368044 /nfs/dbraw/zinc/36/80/44/209368044.db2.gz UJMWDUPFDQEBIT-CABCVRRESA-N 2 2 359.478 0.977 10 0 FCAELP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245443406 209367701 /nfs/dbraw/zinc/36/77/01/209367701.db2.gz XDLPKXBRBGWRNK-KZNAEPCWSA-N 2 2 352.523 0.772 10 0 FCAELP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245443406 209367708 /nfs/dbraw/zinc/36/77/08/209367708.db2.gz XDLPKXBRBGWRNK-KZNAEPCWSA-N 2 2 352.523 0.772 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000246219562 209380873 /nfs/dbraw/zinc/38/08/73/209380873.db2.gz QGVZFPYNLAAGPW-RBUKOAKNSA-N 3 2 366.550 0.877 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000246219562 209380877 /nfs/dbraw/zinc/38/08/77/209380877.db2.gz QGVZFPYNLAAGPW-RBUKOAKNSA-N 3 2 366.550 0.877 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000246219562 209380881 /nfs/dbraw/zinc/38/08/81/209380881.db2.gz QGVZFPYNLAAGPW-RBUKOAKNSA-N 3 2 366.550 0.877 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000246219562 209380883 /nfs/dbraw/zinc/38/08/83/209380883.db2.gz QGVZFPYNLAAGPW-RBUKOAKNSA-N 3 2 366.550 0.877 10 0 FCAELP C[C@H]1CN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000246218961 209380563 /nfs/dbraw/zinc/38/05/63/209380563.db2.gz ZGRIFCLCTRTUIM-MLHJIOFPSA-N 2 2 368.522 0.848 10 0 FCAELP CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cnc(N4CC[NH+](C)CC4)nc3)[C@@H]2C1 ZINC000245740917 209374211 /nfs/dbraw/zinc/37/42/11/209374211.db2.gz GFHMZRYZEBMGBI-KURKYZTESA-N 2 2 361.490 0.997 10 0 FCAELP CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cnc(N4CC[NH+](C)CC4)nc3)[C@@H]2C1 ZINC000245740917 209374216 /nfs/dbraw/zinc/37/42/16/209374216.db2.gz GFHMZRYZEBMGBI-KURKYZTESA-N 2 2 361.490 0.997 10 0 FCAELP C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194740277 209328674 /nfs/dbraw/zinc/32/86/74/209328674.db2.gz RRPUUKDYWBORJS-RDJZCZTQSA-N 2 2 371.547 0.828 10 0 FCAELP C[NH+]1CCN(c2cc(CNC(=O)C3([NH+]4CCOCC4)CCC3)ccn2)CC1 ZINC000368584501 216267704 /nfs/dbraw/zinc/26/77/04/216267704.db2.gz UKFVUDKRSJYZFZ-UHFFFAOYSA-N 2 2 373.501 0.705 10 0 FCAELP CCOC[C@@H](C)[NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000368888432 216313718 /nfs/dbraw/zinc/31/37/18/216313718.db2.gz KTSLSGFQGDPNHC-CVEARBPZSA-N 2 2 363.506 0.848 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C[C@H]2C(N)=O)C1 ZINC000187428118 209213011 /nfs/dbraw/zinc/21/30/11/209213011.db2.gz JNXNRYCAIBISSX-OAGGEKHMSA-N 2 2 354.495 0.045 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C[C@H]2C(N)=O)C1 ZINC000187428118 209213013 /nfs/dbraw/zinc/21/30/13/209213013.db2.gz JNXNRYCAIBISSX-OAGGEKHMSA-N 2 2 354.495 0.045 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C[C@H]2C(N)=O)C1 ZINC000187428118 209213016 /nfs/dbraw/zinc/21/30/16/209213016.db2.gz JNXNRYCAIBISSX-OAGGEKHMSA-N 2 2 354.495 0.045 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C[C@H]2C(N)=O)C1 ZINC000187428118 209213019 /nfs/dbraw/zinc/21/30/19/209213019.db2.gz JNXNRYCAIBISSX-OAGGEKHMSA-N 2 2 354.495 0.045 10 0 FCAELP O=C(Nc1ccc2c(c1)C[NH2+]C2)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000414709127 245314970 /nfs/dbraw/zinc/31/49/70/245314970.db2.gz OQGHEHKZFXRPRK-UHFFFAOYSA-N 2 2 351.410 0.972 10 0 FCAELP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C[C@H]1C ZINC000185349083 209176370 /nfs/dbraw/zinc/17/63/70/209176370.db2.gz ITDVDIYSDSQVFL-HUUCEWRRSA-N 2 2 358.446 0.864 10 0 FCAELP C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C[C@H]1C ZINC000185349083 209176374 /nfs/dbraw/zinc/17/63/74/209176374.db2.gz ITDVDIYSDSQVFL-HUUCEWRRSA-N 2 2 358.446 0.864 10 0 FCAELP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1)c1ccccc1 ZINC000184972257 209170381 /nfs/dbraw/zinc/17/03/81/209170381.db2.gz VISNLYMIFCRZMF-JKSUJKDBSA-N 2 2 368.503 0.029 10 0 FCAELP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@H](NS(C)(=O)=O)C1)c1ccccc1 ZINC000184972257 209170382 /nfs/dbraw/zinc/17/03/82/209170382.db2.gz VISNLYMIFCRZMF-JKSUJKDBSA-N 2 2 368.503 0.029 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H](C)O[C@H](C3CC3)C2)C1 ZINC000373505391 217026586 /nfs/dbraw/zinc/02/65/86/217026586.db2.gz AAQCZJPDUFQSIL-NXHRZFHOSA-N 2 2 353.507 0.959 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H](C)O[C@H](C3CC3)C2)C1 ZINC000373505391 217026590 /nfs/dbraw/zinc/02/65/90/217026590.db2.gz AAQCZJPDUFQSIL-NXHRZFHOSA-N 2 2 353.507 0.959 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)C1 ZINC000373505391 217026593 /nfs/dbraw/zinc/02/65/93/217026593.db2.gz AAQCZJPDUFQSIL-NXHRZFHOSA-N 2 2 353.507 0.959 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)C1 ZINC000373505391 217026597 /nfs/dbraw/zinc/02/65/97/217026597.db2.gz AAQCZJPDUFQSIL-NXHRZFHOSA-N 2 2 353.507 0.959 10 0 FCAELP Cc1cn[nH]c1C[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000375058496 217211808 /nfs/dbraw/zinc/21/18/08/217211808.db2.gz JDGCBBVVLOIFSQ-OAHLLOKOSA-N 2 2 371.489 0.654 10 0 FCAELP Cc1c[nH]nc1C[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000375058496 217211811 /nfs/dbraw/zinc/21/18/11/217211811.db2.gz JDGCBBVVLOIFSQ-OAHLLOKOSA-N 2 2 371.489 0.654 10 0 FCAELP C[C@@H]([NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@@H]1CCCO1 ZINC000183130208 209142075 /nfs/dbraw/zinc/14/20/75/209142075.db2.gz QCDSHEPQGWUMJN-HIFRSBDPSA-N 2 2 373.461 0.169 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H](CO)C[C@H](O)C(C)(C)C)C2)CC1 ZINC000375177408 217226329 /nfs/dbraw/zinc/22/63/29/217226329.db2.gz BSBYZJVWATXRTO-ZOBUZTSGSA-N 2 2 370.538 0.612 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H](CO)C[C@H](O)C(C)(C)C)C2)CC1 ZINC000375177408 217226333 /nfs/dbraw/zinc/22/63/33/217226333.db2.gz BSBYZJVWATXRTO-ZOBUZTSGSA-N 2 2 370.538 0.612 10 0 FCAELP CC[N@H+](CCNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)CCC(F)(F)F ZINC000419210361 246057735 /nfs/dbraw/zinc/05/77/35/246057735.db2.gz QNBPWVVMCNINQW-BETUJISGSA-N 2 2 364.412 0.730 10 0 FCAELP CC[N@@H+](CCNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)CCC(F)(F)F ZINC000419210361 246057739 /nfs/dbraw/zinc/05/77/39/246057739.db2.gz QNBPWVVMCNINQW-BETUJISGSA-N 2 2 364.412 0.730 10 0 FCAELP CN(C)c1ccc(CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)c[nH+]1 ZINC000419386029 246126366 /nfs/dbraw/zinc/12/63/66/246126366.db2.gz DECMDAHFCSKWAJ-MRXNPFEDSA-N 2 2 368.441 0.332 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000419384987 246127030 /nfs/dbraw/zinc/12/70/30/246127030.db2.gz BOPUMGVEHSNAJQ-INIZCTEOSA-N 2 2 359.474 0.754 10 0 FCAELP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2nc(C[NH+](C)C)cs2)C1 ZINC000931665268 674129154 /nfs/dbraw/zinc/12/91/54/674129154.db2.gz WAEFWQOSHVEVIX-AWEZNQCLSA-N 2 2 367.519 0.762 10 0 FCAELP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2nc(C[NH+](C)C)cs2)C1 ZINC000931665268 674129157 /nfs/dbraw/zinc/12/91/57/674129157.db2.gz WAEFWQOSHVEVIX-AWEZNQCLSA-N 2 2 367.519 0.762 10 0 FCAELP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000419499943 246182712 /nfs/dbraw/zinc/18/27/12/246182712.db2.gz YWMORDISKLDIIH-JKSUJKDBSA-N 3 2 355.527 0.109 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000419499943 246182714 /nfs/dbraw/zinc/18/27/14/246182714.db2.gz YWMORDISKLDIIH-JKSUJKDBSA-N 3 2 355.527 0.109 10 0 FCAELP C[C@H]1CCN(C(=O)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C[C@H]1C[NH3+] ZINC000419634722 246224601 /nfs/dbraw/zinc/22/46/01/246224601.db2.gz FGBSZZSHXWZPNP-MAUKXSAKSA-N 2 2 369.469 0.991 10 0 FCAELP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000419639287 246226958 /nfs/dbraw/zinc/22/69/58/246226958.db2.gz GUNRYJZBUBXPBD-GOEBONIOSA-N 2 2 359.474 0.895 10 0 FCAELP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)C[C@H]12 ZINC000419639636 246227169 /nfs/dbraw/zinc/22/71/69/246227169.db2.gz KBTLTYXQNBOBHV-FGTMMUONSA-N 2 2 367.453 0.743 10 0 FCAELP C[C@@H](C[NH3+])CNC(=O)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000419713153 246265192 /nfs/dbraw/zinc/26/51/92/246265192.db2.gz QNLWGJBYSWQWHF-LBPRGKRZSA-N 2 2 352.866 0.525 10 0 FCAELP C[C@@H](C[NH3+])CNC(=O)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000419713153 246265199 /nfs/dbraw/zinc/26/51/99/246265199.db2.gz QNLWGJBYSWQWHF-LBPRGKRZSA-N 2 2 352.866 0.525 10 0 FCAELP CN(C(=O)C(=O)NCCC[NH3+])[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419831359 246311138 /nfs/dbraw/zinc/31/11/38/246311138.db2.gz LPXIZFOFEFRKLK-IRXDYDNUSA-N 3 2 367.538 0.247 10 0 FCAELP CN(C(=O)C(=O)NCCC[NH3+])[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419831359 246311143 /nfs/dbraw/zinc/31/11/43/246311143.db2.gz LPXIZFOFEFRKLK-IRXDYDNUSA-N 3 2 367.538 0.247 10 0 FCAELP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC2)s1 ZINC000419946089 246381721 /nfs/dbraw/zinc/38/17/21/246381721.db2.gz UDYATRFETGQRIH-ZDUSSCGKSA-N 2 2 352.504 0.666 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCCC3)CC2)cc[nH+]1 ZINC000419961005 246391201 /nfs/dbraw/zinc/39/12/01/246391201.db2.gz FQAIXNCADNYERJ-INIZCTEOSA-N 2 2 374.489 0.457 10 0 FCAELP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000423252054 246987001 /nfs/dbraw/zinc/98/70/01/246987001.db2.gz SZDCFAYJDSIIHN-SJORKVTESA-N 2 2 366.506 0.158 10 0 FCAELP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3c[nH+]ccc3C)CC2)C1 ZINC000423476466 247036019 /nfs/dbraw/zinc/03/60/19/247036019.db2.gz LMLLERUPBJYKSJ-INIZCTEOSA-N 2 2 359.474 0.497 10 0 FCAELP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000423697226 247112926 /nfs/dbraw/zinc/11/29/26/247112926.db2.gz KLUSHJZRWKUPNM-OAHLLOKOSA-N 2 2 371.441 0.560 10 0 FCAELP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CCC[NH2+]CC3)CC2)s1 ZINC000423615189 247077741 /nfs/dbraw/zinc/07/77/41/247077741.db2.gz USFQHSZHGOGCEJ-UHFFFAOYSA-N 2 2 364.515 0.777 10 0 FCAELP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000423719996 247124000 /nfs/dbraw/zinc/12/40/00/247124000.db2.gz NOFJFTMUHDANEG-OAHLLOKOSA-N 2 2 360.462 0.034 10 0 FCAELP Cc1nc(N2CCN(C(=O)c3cn([C@@H]4CCC[NH2+]C4)nn3)CC2)cc[nH+]1 ZINC000424184617 247175095 /nfs/dbraw/zinc/17/50/95/247175095.db2.gz YFYZEPHCNGXMFA-CQSZACIVSA-N 2 2 356.434 0.263 10 0 FCAELP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000425383632 247330150 /nfs/dbraw/zinc/33/01/50/247330150.db2.gz INRPCWWGHYEGEF-MRXNPFEDSA-N 2 2 366.506 0.251 10 0 FCAELP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000425383632 247330153 /nfs/dbraw/zinc/33/01/53/247330153.db2.gz INRPCWWGHYEGEF-MRXNPFEDSA-N 2 2 366.506 0.251 10 0 FCAELP C[NH+](C)CC1(C(=O)NCC(=O)NCC[NH+]2CCOCC2)CCCCC1 ZINC000426319222 247449947 /nfs/dbraw/zinc/44/99/47/247449947.db2.gz OMDQXWPARDMOHE-UHFFFAOYSA-N 2 2 354.495 0.063 10 0 FCAELP C[NH+]1CCC(O)(CNS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CC1 ZINC000442952915 248300710 /nfs/dbraw/zinc/30/07/10/248300710.db2.gz UYSQGIOBMZLUFD-UHFFFAOYSA-N 2 2 364.471 0.666 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCSC[C@@H]2CCO)C1 ZINC000470364005 250038179 /nfs/dbraw/zinc/03/81/79/250038179.db2.gz KTWHBTDXOBAUCD-JKSUJKDBSA-N 2 2 359.536 0.259 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCSC[C@@H]2CCO)C1 ZINC000470364005 250038183 /nfs/dbraw/zinc/03/81/83/250038183.db2.gz KTWHBTDXOBAUCD-JKSUJKDBSA-N 2 2 359.536 0.259 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCSC[C@@H]2CCO)C1 ZINC000470364005 250038185 /nfs/dbraw/zinc/03/81/85/250038185.db2.gz KTWHBTDXOBAUCD-JKSUJKDBSA-N 2 2 359.536 0.259 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCSC[C@@H]2CCO)C1 ZINC000470364005 250038189 /nfs/dbraw/zinc/03/81/89/250038189.db2.gz KTWHBTDXOBAUCD-JKSUJKDBSA-N 2 2 359.536 0.259 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCSC[C@H]2CCO)C1 ZINC000470364004 250039045 /nfs/dbraw/zinc/03/90/45/250039045.db2.gz KTWHBTDXOBAUCD-HZPDHXFCSA-N 2 2 359.536 0.259 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCSC[C@H]2CCO)C1 ZINC000470364004 250039048 /nfs/dbraw/zinc/03/90/48/250039048.db2.gz KTWHBTDXOBAUCD-HZPDHXFCSA-N 2 2 359.536 0.259 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCSC[C@H]2CCO)C1 ZINC000470364004 250039050 /nfs/dbraw/zinc/03/90/50/250039050.db2.gz KTWHBTDXOBAUCD-HZPDHXFCSA-N 2 2 359.536 0.259 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCSC[C@H]2CCO)C1 ZINC000470364004 250039053 /nfs/dbraw/zinc/03/90/53/250039053.db2.gz KTWHBTDXOBAUCD-HZPDHXFCSA-N 2 2 359.536 0.259 10 0 FCAELP CCOCCNC(=O)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000084694567 208111430 /nfs/dbraw/zinc/11/14/30/208111430.db2.gz HZVHEILISANERC-UHFFFAOYSA-N 2 2 354.495 0.015 10 0 FCAELP O=C(NC[C@H](O)C[NH+]1CCOCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000098093281 208161714 /nfs/dbraw/zinc/16/17/14/208161714.db2.gz LDDOTCHVBGTNBF-MOPGFXCFSA-N 2 2 361.486 0.708 10 0 FCAELP O=C(NC[C@H](O)C[NH+]1CCOCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000098093281 208161719 /nfs/dbraw/zinc/16/17/19/208161719.db2.gz LDDOTCHVBGTNBF-MOPGFXCFSA-N 2 2 361.486 0.708 10 0 FCAELP Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000093191667 208153254 /nfs/dbraw/zinc/15/32/54/208153254.db2.gz ADPMGYHSOIKBPD-INIZCTEOSA-N 2 2 359.474 0.815 10 0 FCAELP Cc1cccc(NC(=O)[C@H]2CCC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000093191667 208153260 /nfs/dbraw/zinc/15/32/60/208153260.db2.gz ADPMGYHSOIKBPD-INIZCTEOSA-N 2 2 359.474 0.815 10 0 FCAELP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCN(c4cccnn4)CC3)cn2)CC1 ZINC000093150611 208154358 /nfs/dbraw/zinc/15/43/58/208154358.db2.gz DUXXGQLSMSMIPS-UHFFFAOYSA-N 2 2 368.489 0.731 10 0 FCAELP C[NH+]1CCN(c2ncc(C[N@H+]3CCCN(c4cccnn4)CC3)cn2)CC1 ZINC000093150611 208154364 /nfs/dbraw/zinc/15/43/64/208154364.db2.gz DUXXGQLSMSMIPS-UHFFFAOYSA-N 2 2 368.489 0.731 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC000104796625 208186106 /nfs/dbraw/zinc/18/61/06/208186106.db2.gz PFEDERVDVYSULE-QGZVFWFLSA-N 3 2 353.511 0.175 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC000104796625 208186112 /nfs/dbraw/zinc/18/61/12/208186112.db2.gz PFEDERVDVYSULE-QGZVFWFLSA-N 3 2 353.511 0.175 10 0 FCAELP CN1CCO[C@H](CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000104796625 208186121 /nfs/dbraw/zinc/18/61/21/208186121.db2.gz PFEDERVDVYSULE-QGZVFWFLSA-N 2 2 353.511 0.175 10 0 FCAELP C[NH+](C)CCOc1ccc(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000104787452 208186810 /nfs/dbraw/zinc/18/68/10/208186810.db2.gz PQSQQNCKTGLNCS-KRWDZBQOSA-N 2 2 350.463 0.757 10 0 FCAELP C[NH+](C)CCOc1ccc(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000104787452 208186813 /nfs/dbraw/zinc/18/68/13/208186813.db2.gz PQSQQNCKTGLNCS-KRWDZBQOSA-N 2 2 350.463 0.757 10 0 FCAELP C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000104799403 208188223 /nfs/dbraw/zinc/18/82/23/208188223.db2.gz FBMQEQQYJSJQQP-SFHVURJKSA-N 2 2 362.474 0.723 10 0 FCAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000104799403 208188231 /nfs/dbraw/zinc/18/82/31/208188231.db2.gz FBMQEQQYJSJQQP-SFHVURJKSA-N 2 2 362.474 0.723 10 0 FCAELP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129790 208215087 /nfs/dbraw/zinc/21/50/87/208215087.db2.gz CCNRUJNGTIXGDH-HNNXBMFYSA-N 2 2 364.494 0.902 10 0 FCAELP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129790 208215093 /nfs/dbraw/zinc/21/50/93/208215093.db2.gz CCNRUJNGTIXGDH-HNNXBMFYSA-N 2 2 364.494 0.902 10 0 FCAELP C[NH+](C)C[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)CCO1 ZINC000107304945 208240796 /nfs/dbraw/zinc/24/07/96/208240796.db2.gz OHFOXRMFYKJKHL-KRWDZBQOSA-N 2 2 350.463 0.186 10 0 FCAELP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109755225 208259190 /nfs/dbraw/zinc/25/91/90/208259190.db2.gz DXVLOAAUUMWZKM-GOEBONIOSA-N 2 2 351.495 0.465 10 0 FCAELP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000109755225 208259197 /nfs/dbraw/zinc/25/91/97/208259197.db2.gz DXVLOAAUUMWZKM-GOEBONIOSA-N 2 2 351.495 0.465 10 0 FCAELP Cc1cc(NC(=O)C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)no1 ZINC000109789691 208263347 /nfs/dbraw/zinc/26/33/47/208263347.db2.gz COAMLJHKSFAADU-UHFFFAOYSA-N 2 2 363.462 0.798 10 0 FCAELP COCC[N@H+](C)CCNC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000117044126 208340786 /nfs/dbraw/zinc/34/07/86/208340786.db2.gz RTRLZBSJGNSCNB-GOSISDBHSA-N 2 2 364.490 0.625 10 0 FCAELP COCC[N@@H+](C)CCNC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000117044126 208340791 /nfs/dbraw/zinc/34/07/91/208340791.db2.gz RTRLZBSJGNSCNB-GOSISDBHSA-N 2 2 364.490 0.625 10 0 FCAELP C[NH+]1CCN(C(=O)CC2CCN(C(=O)NCCn3cc[nH+]c3)CC2)CC1 ZINC000114907983 208320747 /nfs/dbraw/zinc/32/07/47/208320747.db2.gz JLCAKJMFWDVPFR-UHFFFAOYSA-N 2 2 362.478 0.469 10 0 FCAELP COC(=O)[C@@]1(C)CCC[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000412115387 533115711 /nfs/dbraw/zinc/11/57/11/533115711.db2.gz YFORVIJAFNWCBJ-LPHOPBHVSA-N 2 2 369.506 0.735 10 0 FCAELP COC(=O)[C@@]1(C)CCC[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000412115387 533115718 /nfs/dbraw/zinc/11/57/18/533115718.db2.gz YFORVIJAFNWCBJ-LPHOPBHVSA-N 2 2 369.506 0.735 10 0 FCAELP COC(=O)[C@@]1(C)CCC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000412115387 533115722 /nfs/dbraw/zinc/11/57/22/533115722.db2.gz YFORVIJAFNWCBJ-LPHOPBHVSA-N 2 2 369.506 0.735 10 0 FCAELP COC(=O)[C@@]1(C)CCC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000412115387 533115728 /nfs/dbraw/zinc/11/57/28/533115728.db2.gz YFORVIJAFNWCBJ-LPHOPBHVSA-N 2 2 369.506 0.735 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000180478763 209096267 /nfs/dbraw/zinc/09/62/67/209096267.db2.gz VMFLJKUESXSKNF-OALUTQOASA-N 2 2 363.502 0.765 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000180478799 209096215 /nfs/dbraw/zinc/09/62/15/209096215.db2.gz VMFLJKUESXSKNF-RBUKOAKNSA-N 2 2 363.502 0.765 10 0 FCAELP C[C@H]1C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@@H]1N1CCOCC1 ZINC000180231963 209092572 /nfs/dbraw/zinc/09/25/72/209092572.db2.gz RGADAVRDNPWEAN-WMZOPIPTSA-N 2 2 360.506 0.381 10 0 FCAELP 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FCAELP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000184786771 488397484 /nfs/dbraw/zinc/39/74/84/488397484.db2.gz HHRGWUKFVNSTFI-DLBZAZTESA-N 2 2 356.511 0.441 10 0 FCAELP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000184837286 488398133 /nfs/dbraw/zinc/39/81/33/488398133.db2.gz HZKGSUCYHHKRCP-HOTGVXAUSA-N 2 2 356.511 0.441 10 0 FCAELP CC[C@@H](CO)[NH+]1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000075959351 488400495 /nfs/dbraw/zinc/40/04/95/488400495.db2.gz BQODPTLSNBMEKE-FQEVSTJZSA-N 2 2 374.529 0.719 10 0 FCAELP C[NH+]1CCN(CCCNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000078311635 488421351 /nfs/dbraw/zinc/42/13/51/488421351.db2.gz BOAQUXRHFASQQH-UHFFFAOYSA-N 2 2 373.545 0.558 10 0 FCAELP CN1CC[NH+](CCCNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000078311635 488421353 /nfs/dbraw/zinc/42/13/53/488421353.db2.gz BOAQUXRHFASQQH-UHFFFAOYSA-N 2 2 373.545 0.558 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000081047717 488439090 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/nfs/dbraw/zinc/49/76/71/488497671.db2.gz NBARVXORYXBRAZ-IRXDYDNUSA-N 3 2 369.554 0.499 10 0 FCAELP CC[C@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC[N@H+]1C[C@H](C)O ZINC000248489710 488497672 /nfs/dbraw/zinc/49/76/72/488497672.db2.gz NBARVXORYXBRAZ-IRXDYDNUSA-N 3 2 369.554 0.499 10 0 FCAELP CC(C)[C@@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000248591951 488499257 /nfs/dbraw/zinc/49/92/57/488499257.db2.gz HGMSFZTYGBLPDT-FGTMMUONSA-N 2 2 369.554 0.355 10 0 FCAELP CC(C)[C@@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000248591951 488499259 /nfs/dbraw/zinc/49/92/59/488499259.db2.gz HGMSFZTYGBLPDT-FGTMMUONSA-N 2 2 369.554 0.355 10 0 FCAELP CC(C)[C@@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000248591951 488499260 /nfs/dbraw/zinc/49/92/60/488499260.db2.gz HGMSFZTYGBLPDT-FGTMMUONSA-N 2 2 369.554 0.355 10 0 FCAELP CC(C)[C@@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000248591951 488499262 /nfs/dbraw/zinc/49/92/62/488499262.db2.gz HGMSFZTYGBLPDT-FGTMMUONSA-N 2 2 369.554 0.355 10 0 FCAELP C[C@H]1CCCN1S(=O)(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000248700691 488501225 /nfs/dbraw/zinc/50/12/25/488501225.db2.gz KXHRMBRJEKTJQI-PMRDEQMMSA-N 2 2 356.536 0.958 10 0 FCAELP C[C@H]1CCCN1S(=O)(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000248700691 488501229 /nfs/dbraw/zinc/50/12/29/488501229.db2.gz KXHRMBRJEKTJQI-PMRDEQMMSA-N 2 2 356.536 0.958 10 0 FCAELP CC[N@@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C[C@@H](O)C(F)(F)F ZINC000249480356 488510568 /nfs/dbraw/zinc/51/05/68/488510568.db2.gz VIOIWGBIVZKSDR-UONOGXRCSA-N 2 2 369.428 0.705 10 0 FCAELP CC[N@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C[C@@H](O)C(F)(F)F ZINC000249480356 488510571 /nfs/dbraw/zinc/51/05/71/488510571.db2.gz VIOIWGBIVZKSDR-UONOGXRCSA-N 2 2 369.428 0.705 10 0 FCAELP CC[NH+](CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C[C@@H](O)C(F)(F)F ZINC000249480356 488510572 /nfs/dbraw/zinc/51/05/72/488510572.db2.gz VIOIWGBIVZKSDR-UONOGXRCSA-N 2 2 369.428 0.705 10 0 FCAELP CC[NH+](CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C[C@@H](O)C(F)(F)F ZINC000249480356 488510575 /nfs/dbraw/zinc/51/05/75/488510575.db2.gz VIOIWGBIVZKSDR-UONOGXRCSA-N 2 2 369.428 0.705 10 0 FCAELP COCC[NH+]1CCC(NC(=O)N2CCN(Cc3[nH+]ccn3C)CC2)CC1 ZINC000106335616 488513415 /nfs/dbraw/zinc/51/34/15/488513415.db2.gz DYDFOEULDGEAKD-UHFFFAOYSA-N 2 2 364.494 0.358 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H]2C(=O)NC2CC2)C1 ZINC000249746534 488514194 /nfs/dbraw/zinc/51/41/94/488514194.db2.gz MWHBHVDRIYNJSB-SJORKVTESA-N 2 2 366.506 0.202 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H]2C(=O)NC2CC2)C1 ZINC000249746534 488514195 /nfs/dbraw/zinc/51/41/95/488514195.db2.gz MWHBHVDRIYNJSB-SJORKVTESA-N 2 2 366.506 0.202 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)C1 ZINC000249746534 488514197 /nfs/dbraw/zinc/51/41/97/488514197.db2.gz MWHBHVDRIYNJSB-SJORKVTESA-N 2 2 366.506 0.202 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@H]2C(=O)NC2CC2)C1 ZINC000249746534 488514200 /nfs/dbraw/zinc/51/42/00/488514200.db2.gz MWHBHVDRIYNJSB-SJORKVTESA-N 2 2 366.506 0.202 10 0 FCAELP CC(C)(CNC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)[NH+]1CCOCC1 ZINC000252696373 488519559 /nfs/dbraw/zinc/51/95/59/488519559.db2.gz ZIZGSPYWYZLTGU-LPHOPBHVSA-N 2 2 353.507 0.840 10 0 FCAELP CC(C)(CNC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1)[NH+]1CCOCC1 ZINC000252696373 488519561 /nfs/dbraw/zinc/51/95/61/488519561.db2.gz ZIZGSPYWYZLTGU-LPHOPBHVSA-N 2 2 353.507 0.840 10 0 FCAELP COc1ccc(-n2ccc(C[NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)n2)cc1 ZINC000562984225 491205332 /nfs/dbraw/zinc/20/53/32/491205332.db2.gz AXUXUQNHHBHVKX-GOSISDBHSA-N 2 2 359.474 0.579 10 0 FCAELP O=C(CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)N1CC[NH2+]CC1 ZINC000569946854 491205411 /nfs/dbraw/zinc/20/54/11/491205411.db2.gz BRIFCCXARKCBRN-OAHLLOKOSA-N 2 2 374.489 0.540 10 0 FCAELP C[NH+]1CCN(C(=O)CC2CC[NH+](CC(=O)NC[C@H]3CCCO3)CC2)CC1 ZINC000121301985 488566190 /nfs/dbraw/zinc/56/61/90/488566190.db2.gz SSUVAXCWLGWKLL-QGZVFWFLSA-N 2 2 366.506 0.158 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000123182825 488583368 /nfs/dbraw/zinc/58/33/68/488583368.db2.gz SHEOMPXMYJICCX-KZNAEPCWSA-N 3 2 354.539 0.874 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000123182825 488583370 /nfs/dbraw/zinc/58/33/70/488583370.db2.gz SHEOMPXMYJICCX-KZNAEPCWSA-N 3 2 354.539 0.874 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000123182825 488583371 /nfs/dbraw/zinc/58/33/71/488583371.db2.gz SHEOMPXMYJICCX-KZNAEPCWSA-N 3 2 354.539 0.874 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000123182825 488583373 /nfs/dbraw/zinc/58/33/73/488583373.db2.gz SHEOMPXMYJICCX-KZNAEPCWSA-N 3 2 354.539 0.874 10 0 FCAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC[N@@H+]1C ZINC000123559712 488586220 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XHFNFGRLGDTWSL-CABCVRRESA-N 2 2 360.449 0.237 10 0 FCAELP COCCc1cc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)n(C)n1 ZINC000127754501 488619865 /nfs/dbraw/zinc/61/98/65/488619865.db2.gz CLXOOIAWDAVVBU-UHFFFAOYSA-N 2 2 352.483 0.757 10 0 FCAELP CN(C)c1cc[nH+]cc1C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000273526426 488656720 /nfs/dbraw/zinc/65/67/20/488656720.db2.gz CCIURWCFUDVYIO-UHFFFAOYSA-N 2 2 359.474 0.774 10 0 FCAELP COC(=O)NCCCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154302084 488741380 /nfs/dbraw/zinc/74/13/80/488741380.db2.gz RZPWYYJETJYFPG-XYPWUTKMSA-N 2 2 352.479 0.892 10 0 FCAELP COC(=O)NCCCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154302084 488741382 /nfs/dbraw/zinc/74/13/82/488741382.db2.gz RZPWYYJETJYFPG-XYPWUTKMSA-N 2 2 352.479 0.892 10 0 FCAELP O=C(C[NH+]1CCN(c2ccccn2)CC1)NCCCC[NH+]1CCOCC1 ZINC000155106131 488751005 /nfs/dbraw/zinc/75/10/05/488751005.db2.gz ZTOFFIKGVQGFLF-UHFFFAOYSA-N 2 2 361.490 0.432 10 0 FCAELP COC(=O)Cn1cc(CC[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)nn1 ZINC000156294505 488764080 /nfs/dbraw/zinc/76/40/80/488764080.db2.gz XVQMHKILUALBHR-AWEZNQCLSA-N 2 2 351.451 0.179 10 0 FCAELP COC(=O)Cn1cc(CC[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)nn1 ZINC000156294505 488764081 /nfs/dbraw/zinc/76/40/81/488764081.db2.gz XVQMHKILUALBHR-AWEZNQCLSA-N 2 2 351.451 0.179 10 0 FCAELP C[N@@H+]1CCN(C(=O)CNC(=O)c2cc3c(s2)CCCC3)[C@H](C[NH3+])C1 ZINC000162504345 488802687 /nfs/dbraw/zinc/80/26/87/488802687.db2.gz FDOBDJGQHHBOQR-CYBMUJFWSA-N 2 2 350.488 0.458 10 0 FCAELP C[N@H+]1CCN(C(=O)CNC(=O)c2cc3c(s2)CCCC3)[C@H](C[NH3+])C1 ZINC000162504345 488802690 /nfs/dbraw/zinc/80/26/90/488802690.db2.gz FDOBDJGQHHBOQR-CYBMUJFWSA-N 2 2 350.488 0.458 10 0 FCAELP CN(C(=O)c1ccc(NC(=O)[C@@H]2COCC[NH2+]2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000169209706 488812909 /nfs/dbraw/zinc/81/29/09/488812909.db2.gz GJCXNVQPRJCZQX-SJORKVTESA-N 2 2 360.458 0.780 10 0 FCAELP CN(C(=O)c1ccc(NC(=O)[C@@H]2COCC[NH2+]2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000169209706 488812910 /nfs/dbraw/zinc/81/29/10/488812910.db2.gz GJCXNVQPRJCZQX-SJORKVTESA-N 2 2 360.458 0.780 10 0 FCAELP CC(C)(CNC(=O)C[N@@H+]1CCC[C@@H](n2cncn2)C1)[NH+]1CCOCC1 ZINC000171524942 488824066 /nfs/dbraw/zinc/82/40/66/488824066.db2.gz VUEZCBOENTVCMS-OAHLLOKOSA-N 2 2 350.467 0.142 10 0 FCAELP CC(C)(CNC(=O)C[N@H+]1CCC[C@@H](n2cncn2)C1)[NH+]1CCOCC1 ZINC000171524942 488824067 /nfs/dbraw/zinc/82/40/67/488824067.db2.gz VUEZCBOENTVCMS-OAHLLOKOSA-N 2 2 350.467 0.142 10 0 FCAELP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C[C@H]1C ZINC000174305614 488848517 /nfs/dbraw/zinc/84/85/17/488848517.db2.gz QDJJXZYEXCIWSA-HZPDHXFCSA-N 2 2 361.490 0.361 10 0 FCAELP C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C[C@H]1C ZINC000174305614 488848518 /nfs/dbraw/zinc/84/85/18/488848518.db2.gz QDJJXZYEXCIWSA-HZPDHXFCSA-N 2 2 361.490 0.361 10 0 FCAELP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174876719 488851960 /nfs/dbraw/zinc/85/19/60/488851960.db2.gz CLMDWOFZOOHDLF-KRWDZBQOSA-N 2 2 367.538 0.073 10 0 FCAELP CCCNC(=O)CN(C)C(=O)C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174876719 488851961 /nfs/dbraw/zinc/85/19/61/488851961.db2.gz CLMDWOFZOOHDLF-KRWDZBQOSA-N 2 2 367.538 0.073 10 0 FCAELP COCC[N@@H+]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C[C@H]1C ZINC000175790977 488855738 /nfs/dbraw/zinc/85/57/38/488855738.db2.gz CIXXSSVPNHPONM-IAGOWNOFSA-N 2 2 355.527 0.232 10 0 FCAELP COCC[N@H+]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C[C@H]1C ZINC000175790977 488855739 /nfs/dbraw/zinc/85/57/39/488855739.db2.gz CIXXSSVPNHPONM-IAGOWNOFSA-N 2 2 355.527 0.232 10 0 FCAELP COCC[N@@H+]1CCN(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C[C@H]1C ZINC000175790977 488855740 /nfs/dbraw/zinc/85/57/40/488855740.db2.gz CIXXSSVPNHPONM-IAGOWNOFSA-N 2 2 355.527 0.232 10 0 FCAELP COCC[N@H+]1CCN(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C[C@H]1C ZINC000175790977 488855741 /nfs/dbraw/zinc/85/57/41/488855741.db2.gz CIXXSSVPNHPONM-IAGOWNOFSA-N 2 2 355.527 0.232 10 0 FCAELP CC[C@@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000181725220 488863890 /nfs/dbraw/zinc/86/38/90/488863890.db2.gz MSZVZHOEGIAFFB-GVDBMIGSSA-N 2 2 355.527 0.109 10 0 FCAELP CC[C@@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC[N@H+]1C[C@@H](C)O ZINC000181725220 488863891 /nfs/dbraw/zinc/86/38/91/488863891.db2.gz MSZVZHOEGIAFFB-GVDBMIGSSA-N 2 2 355.527 0.109 10 0 FCAELP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000329503203 489010643 /nfs/dbraw/zinc/01/06/43/489010643.db2.gz APGVIUJSWVRMIF-IXDOHACOSA-N 2 2 366.506 0.108 10 0 FCAELP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000329503203 489010647 /nfs/dbraw/zinc/01/06/47/489010647.db2.gz APGVIUJSWVRMIF-IXDOHACOSA-N 2 2 366.506 0.108 10 0 FCAELP C[C@H]1OCC[C@]1(O)CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000364895374 489015050 /nfs/dbraw/zinc/01/50/50/489015050.db2.gz UVRMSYWCUWUZLA-APWZRJJASA-N 2 2 368.522 0.776 10 0 FCAELP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000290299468 489129334 /nfs/dbraw/zinc/12/93/34/489129334.db2.gz CDHPPKBEJUXTGN-CVEARBPZSA-N 2 2 357.458 0.473 10 0 FCAELP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000290299468 489129337 /nfs/dbraw/zinc/12/93/37/489129337.db2.gz CDHPPKBEJUXTGN-CVEARBPZSA-N 2 2 357.458 0.473 10 0 FCAELP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000290526838 489146995 /nfs/dbraw/zinc/14/69/95/489146995.db2.gz XCRQBGBCJMOSPT-CQSZACIVSA-N 2 2 362.478 0.280 10 0 FCAELP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)C[C@@H](C)O1 ZINC000332796549 489232405 /nfs/dbraw/zinc/23/24/05/489232405.db2.gz UGEFKBMLUWPZRF-NCOADZHNSA-N 2 2 368.522 0.989 10 0 FCAELP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)C[C@@H](C)O1 ZINC000332796549 489232408 /nfs/dbraw/zinc/23/24/08/489232408.db2.gz UGEFKBMLUWPZRF-NCOADZHNSA-N 2 2 368.522 0.989 10 0 FCAELP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)C1 ZINC000298118179 489293955 /nfs/dbraw/zinc/29/39/55/489293955.db2.gz PFRVMAGHDREEEO-MRXNPFEDSA-N 2 2 374.489 0.376 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@@](O)(C(F)(F)F)C3)C2)CC1 ZINC000370025835 489305462 /nfs/dbraw/zinc/30/54/62/489305462.db2.gz HCIGICFEUFYBKM-WFASDCNBSA-N 2 2 364.412 0.864 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@@](O)(C(F)(F)F)C3)C2)CC1 ZINC000370025835 489305466 /nfs/dbraw/zinc/30/54/66/489305466.db2.gz HCIGICFEUFYBKM-WFASDCNBSA-N 2 2 364.412 0.864 10 0 FCAELP COC(=O)C1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000362308371 489382882 /nfs/dbraw/zinc/38/28/82/489382882.db2.gz CVQAYMPGSXBKFW-MRXNPFEDSA-N 2 2 355.479 0.344 10 0 FCAELP COC(=O)C1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000362308371 489382884 /nfs/dbraw/zinc/38/28/84/489382884.db2.gz CVQAYMPGSXBKFW-MRXNPFEDSA-N 2 2 355.479 0.344 10 0 FCAELP COCCCOC1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000371408674 489482902 /nfs/dbraw/zinc/48/29/02/489482902.db2.gz IKGKKYKYNXDPMI-OAHLLOKOSA-N 2 2 354.495 0.602 10 0 FCAELP COCCCOC1CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000371408674 489482903 /nfs/dbraw/zinc/48/29/03/489482903.db2.gz IKGKKYKYNXDPMI-OAHLLOKOSA-N 2 2 354.495 0.602 10 0 FCAELP CCCNC(=O)NC(=O)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000371577099 489488766 /nfs/dbraw/zinc/48/87/66/489488766.db2.gz LMBLIWYEQSOBND-UHFFFAOYSA-N 2 2 367.494 0.098 10 0 FCAELP C[NH2+]CC1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000423251951 489507169 /nfs/dbraw/zinc/50/71/69/489507169.db2.gz SPRARGPLLVBDSV-KRWDZBQOSA-N 2 2 366.506 0.158 10 0 FCAELP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+][C@H]2COCC2(C)C)CC1 ZINC000451808738 489525077 /nfs/dbraw/zinc/52/50/77/489525077.db2.gz GOENCTJWNGPBHB-AWEZNQCLSA-N 2 2 373.461 0.027 10 0 FCAELP O=C(NCCCn1cc[nH+]c1)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000555633663 491261038 /nfs/dbraw/zinc/26/10/38/491261038.db2.gz ZQCSXHXHIHXVJI-INIZCTEOSA-N 2 2 363.462 0.103 10 0 FCAELP COCC[C@H](C)[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000372818473 489639591 /nfs/dbraw/zinc/63/95/91/489639591.db2.gz LZZYDFUEHQUZSI-JKSUJKDBSA-N 2 2 363.506 0.848 10 0 FCAELP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CC[NH+](CCO)C[C@@H]2C)C[C@H](C)O1 ZINC000457576022 489649991 /nfs/dbraw/zinc/64/99/91/489649991.db2.gz VDKLHVBCRGWTCT-HRCADAONSA-N 2 2 356.511 0.582 10 0 FCAELP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CC[NH+](CCO)C[C@@H]2C)C[C@H](C)O1 ZINC000457576022 489649993 /nfs/dbraw/zinc/64/99/93/489649993.db2.gz VDKLHVBCRGWTCT-HRCADAONSA-N 2 2 356.511 0.582 10 0 FCAELP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[N@H+](CCO)C[C@@H]2C)C[C@H](C)O1 ZINC000457576022 489649995 /nfs/dbraw/zinc/64/99/95/489649995.db2.gz VDKLHVBCRGWTCT-HRCADAONSA-N 2 2 356.511 0.582 10 0 FCAELP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)C[C@H](C)O1 ZINC000457576022 489649997 /nfs/dbraw/zinc/64/99/97/489649997.db2.gz VDKLHVBCRGWTCT-HRCADAONSA-N 2 2 356.511 0.582 10 0 FCAELP CCC(CC)[C@@H](CNC(=O)N1CC[N@H+](CCO)C[C@@H]1C)[NH+]1CCOCC1 ZINC000457619847 489651244 /nfs/dbraw/zinc/65/12/44/489651244.db2.gz POSGKCSYNQVPID-FUHWJXTLSA-N 2 2 370.538 0.831 10 0 FCAELP CCC(CC)[C@@H](CNC(=O)N1CC[N@@H+](CCO)C[C@@H]1C)[NH+]1CCOCC1 ZINC000457619847 489651245 /nfs/dbraw/zinc/65/12/45/489651245.db2.gz POSGKCSYNQVPID-FUHWJXTLSA-N 2 2 370.538 0.831 10 0 FCAELP CC(C)C[C@H](C[NH3+])NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000417698085 489661724 /nfs/dbraw/zinc/66/17/24/489661724.db2.gz DGCLFBAKZVKSMX-MRXNPFEDSA-N 2 2 353.511 0.603 10 0 FCAELP O=C(NCC[C@@H]1CC[NH2+]C1)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000417715095 489662240 /nfs/dbraw/zinc/66/22/40/489662240.db2.gz SJDOFBIQXPJCQA-HNNXBMFYSA-N 2 2 351.495 0.230 10 0 FCAELP COCC[NH2+]CCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000417759457 489664763 /nfs/dbraw/zinc/66/47/63/489664763.db2.gz DTFOEBPVFRWWIG-UHFFFAOYSA-N 3 2 355.527 0.472 10 0 FCAELP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000418795257 489728295 /nfs/dbraw/zinc/72/82/95/489728295.db2.gz CFPCTLJMQWDODP-VXGBXAGGSA-N 2 2 354.401 0.509 10 0 FCAELP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000418795257 489728299 /nfs/dbraw/zinc/72/82/99/489728299.db2.gz CFPCTLJMQWDODP-VXGBXAGGSA-N 2 2 354.401 0.509 10 0 FCAELP CC[NH2+]CCNC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000418800796 489730127 /nfs/dbraw/zinc/73/01/27/489730127.db2.gz JBHGRFHIMFVORV-ZDUSSCGKSA-N 2 2 368.428 0.771 10 0 FCAELP CC[NH2+]CCNC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000418800796 489730132 /nfs/dbraw/zinc/73/01/32/489730132.db2.gz JBHGRFHIMFVORV-ZDUSSCGKSA-N 2 2 368.428 0.771 10 0 FCAELP C[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000418810756 489734002 /nfs/dbraw/zinc/73/40/02/489734002.db2.gz VJTOCGXXDCJYHC-CYBMUJFWSA-N 2 2 368.428 0.771 10 0 FCAELP C[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000418810756 489734003 /nfs/dbraw/zinc/73/40/03/489734003.db2.gz VJTOCGXXDCJYHC-CYBMUJFWSA-N 2 2 368.428 0.771 10 0 FCAELP CC(C)(CNC(=O)C(=O)NCC1([NH3+])CCCCCC1)[NH+]1CCOCC1 ZINC000418825488 489741380 /nfs/dbraw/zinc/74/13/80/489741380.db2.gz BNHOWNLFYOEVIZ-UHFFFAOYSA-N 2 2 354.495 0.381 10 0 FCAELP O=C(C[N@H+]1CCC[C@](O)(CO)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000459625857 489742160 /nfs/dbraw/zinc/74/21/60/489742160.db2.gz BJJUDJYSMHRKRQ-QGZVFWFLSA-N 2 2 353.488 0.212 10 0 FCAELP O=C(C[N@@H+]1CCC[C@](O)(CO)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000459625857 489742164 /nfs/dbraw/zinc/74/21/64/489742164.db2.gz BJJUDJYSMHRKRQ-QGZVFWFLSA-N 2 2 353.488 0.212 10 0 FCAELP COCC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCOC1 ZINC000490056457 489743544 /nfs/dbraw/zinc/74/35/44/489743544.db2.gz GMQQQXBKEARTFU-KRWDZBQOSA-N 2 2 362.474 0.858 10 0 FCAELP COCC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCOC1 ZINC000490056457 489743547 /nfs/dbraw/zinc/74/35/47/489743547.db2.gz GMQQQXBKEARTFU-KRWDZBQOSA-N 2 2 362.474 0.858 10 0 FCAELP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)c2ccnn2C)CC1 ZINC000459757798 489752446 /nfs/dbraw/zinc/75/24/46/489752446.db2.gz UUIWZGRMZXEGBY-SFHVURJKSA-N 2 2 371.485 0.696 10 0 FCAELP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C)C[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000418868873 489766551 /nfs/dbraw/zinc/76/65/51/489766551.db2.gz QGRBWQVIOBQTMG-PKPZWWHKSA-N 2 2 372.391 0.819 10 0 FCAELP CC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C)C[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000418868873 489766555 /nfs/dbraw/zinc/76/65/55/489766555.db2.gz QGRBWQVIOBQTMG-PKPZWWHKSA-N 2 2 372.391 0.819 10 0 FCAELP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000418868874 489767024 /nfs/dbraw/zinc/76/70/24/489767024.db2.gz QGRBWQVIOBQTMG-RJIBLYRGSA-N 2 2 372.391 0.819 10 0 FCAELP CC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000418868874 489767025 /nfs/dbraw/zinc/76/70/25/489767025.db2.gz QGRBWQVIOBQTMG-RJIBLYRGSA-N 2 2 372.391 0.819 10 0 FCAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418884685 489774605 /nfs/dbraw/zinc/77/46/05/489774605.db2.gz GDGPZFSMALZGSO-BBRMVZONSA-N 2 2 357.458 0.965 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000418899188 489781367 /nfs/dbraw/zinc/78/13/67/489781367.db2.gz BPRZMDKVQHSPOP-LSDHHAIUSA-N 2 2 352.385 0.258 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000418899188 489781369 /nfs/dbraw/zinc/78/13/69/489781369.db2.gz BPRZMDKVQHSPOP-LSDHHAIUSA-N 2 2 352.385 0.258 10 0 FCAELP C[NH2+]CCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000418901033 489781752 /nfs/dbraw/zinc/78/17/52/489781752.db2.gz DTHFLJANXQXJBN-GJZGRUSLSA-N 2 2 352.866 0.879 10 0 FCAELP C[NH2+]CCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000418901033 489781755 /nfs/dbraw/zinc/78/17/55/489781755.db2.gz DTHFLJANXQXJBN-GJZGRUSLSA-N 2 2 352.866 0.879 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418903640 489782806 /nfs/dbraw/zinc/78/28/06/489782806.db2.gz IHQFFRZMPFQHAK-MAZHCROVSA-N 2 2 366.412 0.694 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418903640 489782808 /nfs/dbraw/zinc/78/28/08/489782808.db2.gz IHQFFRZMPFQHAK-MAZHCROVSA-N 2 2 366.412 0.694 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418906471 489784980 /nfs/dbraw/zinc/78/49/80/489784980.db2.gz KXSJWUZWDYQJQD-CQDKDKBSSA-N 2 2 368.840 0.819 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418906471 489784984 /nfs/dbraw/zinc/78/49/84/489784984.db2.gz KXSJWUZWDYQJQD-CQDKDKBSSA-N 2 2 368.840 0.819 10 0 FCAELP CC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418909675 489786921 /nfs/dbraw/zinc/78/69/21/489786921.db2.gz OEYRMFCAJSLVCT-GJZGRUSLSA-N 2 2 354.401 0.552 10 0 FCAELP CC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418909675 489786924 /nfs/dbraw/zinc/78/69/24/489786924.db2.gz OEYRMFCAJSLVCT-GJZGRUSLSA-N 2 2 354.401 0.552 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000418912894 489788151 /nfs/dbraw/zinc/78/81/51/489788151.db2.gz RXGZXCUGIWTZDA-KNXALSJPSA-N 2 2 366.412 0.647 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000418912894 489788153 /nfs/dbraw/zinc/78/81/53/489788153.db2.gz RXGZXCUGIWTZDA-KNXALSJPSA-N 2 2 366.412 0.647 10 0 FCAELP C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418913757 489789125 /nfs/dbraw/zinc/78/91/25/489789125.db2.gz SWCRJVLDMIEMKO-CVEARBPZSA-N 2 2 368.428 0.894 10 0 FCAELP C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418913757 489789126 /nfs/dbraw/zinc/78/91/26/489789126.db2.gz SWCRJVLDMIEMKO-CVEARBPZSA-N 2 2 368.428 0.894 10 0 FCAELP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418916173 489789774 /nfs/dbraw/zinc/78/97/74/489789774.db2.gz WITHLDFNHWNYDC-ONERCXAPSA-N 2 2 354.401 0.632 10 0 FCAELP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418916173 489789776 /nfs/dbraw/zinc/78/97/76/489789776.db2.gz WITHLDFNHWNYDC-ONERCXAPSA-N 2 2 354.401 0.632 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000418916742 489790208 /nfs/dbraw/zinc/79/02/08/489790208.db2.gz XHMXCMYTRHMNID-NILFDRSVSA-N 2 2 352.385 0.386 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000418916742 489790212 /nfs/dbraw/zinc/79/02/12/489790212.db2.gz XHMXCMYTRHMNID-NILFDRSVSA-N 2 2 352.385 0.386 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418916740 489790365 /nfs/dbraw/zinc/79/03/65/489790365.db2.gz XHMXCMYTRHMNID-GLQYFDAESA-N 2 2 352.385 0.386 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418916740 489790368 /nfs/dbraw/zinc/79/03/68/489790368.db2.gz XHMXCMYTRHMNID-GLQYFDAESA-N 2 2 352.385 0.386 10 0 FCAELP CO[C@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC000459993890 489812126 /nfs/dbraw/zinc/81/21/26/489812126.db2.gz UDQHDSQSDDZUIK-RDJZCZTQSA-N 2 2 368.522 0.354 10 0 FCAELP CO[C@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC000459993890 489812130 /nfs/dbraw/zinc/81/21/30/489812130.db2.gz UDQHDSQSDDZUIK-RDJZCZTQSA-N 2 2 368.522 0.354 10 0 FCAELP CC(C)[C@H]1C[C@@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000475422320 489825979 /nfs/dbraw/zinc/82/59/79/489825979.db2.gz QFIUOQCTYKLGPG-MSOLQXFVSA-N 2 2 364.534 0.975 10 0 FCAELP CC(C)[C@H](CNC(=O)C(=O)NCC1([NH3+])CCCCCC1)[NH+]1CCOCC1 ZINC000419112457 489859613 /nfs/dbraw/zinc/85/96/13/489859613.db2.gz FSELGXMBBWEABH-INIZCTEOSA-N 2 2 368.522 0.627 10 0 FCAELP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000420005744 489879234 /nfs/dbraw/zinc/87/92/34/489879234.db2.gz XAPSDTKOJUSGLO-WBVHZDCISA-N 2 2 359.474 0.545 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)[C@H]1c1ccccc1 ZINC000564066552 491286306 /nfs/dbraw/zinc/28/63/06/491286306.db2.gz LKSIVNCWTPLWQY-SOLBZPMBSA-N 2 2 367.453 0.876 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)[C@H]1c1ccccc1 ZINC000564066552 491286308 /nfs/dbraw/zinc/28/63/08/491286308.db2.gz LKSIVNCWTPLWQY-SOLBZPMBSA-N 2 2 367.453 0.876 10 0 FCAELP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420351633 489966315 /nfs/dbraw/zinc/96/63/15/489966315.db2.gz AATVCTYZJYHKJG-CXAGYDPISA-N 2 2 366.487 0.737 10 0 FCAELP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420351633 489966317 /nfs/dbraw/zinc/96/63/17/489966317.db2.gz AATVCTYZJYHKJG-CXAGYDPISA-N 2 2 366.487 0.737 10 0 FCAELP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000378154989 490019326 /nfs/dbraw/zinc/01/93/26/490019326.db2.gz WZXOWMPVFHUXFR-KURKYZTESA-N 2 2 366.506 0.746 10 0 FCAELP C[NH+](C)CCn1ccc(NC(=O)NCc2[nH+]ccn2CC(F)(F)F)n1 ZINC000438713324 490036574 /nfs/dbraw/zinc/03/65/74/490036574.db2.gz RUSUJOUHOSWSPT-UHFFFAOYSA-N 2 2 359.356 1.525 10 0 FCAELP C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000571246511 491295578 /nfs/dbraw/zinc/29/55/78/491295578.db2.gz DRFVGDVCZIOEOI-CRAIPNDOSA-N 2 2 352.523 0.506 10 0 FCAELP C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000571246511 491295580 /nfs/dbraw/zinc/29/55/80/491295580.db2.gz DRFVGDVCZIOEOI-CRAIPNDOSA-N 2 2 352.523 0.506 10 0 FCAELP CCOCCCNC(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000532731140 490101726 /nfs/dbraw/zinc/10/17/26/490101726.db2.gz JLHUHDKDMKPITC-HNNXBMFYSA-N 2 2 364.494 0.596 10 0 FCAELP CC(C)(CNC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1)[NH+]1CCOCC1 ZINC000532747887 490105898 /nfs/dbraw/zinc/10/58/98/490105898.db2.gz CHXVECXXIRZDFM-IRXDYDNUSA-N 2 2 353.507 0.962 10 0 FCAELP CC(C)(CNC(=O)C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1)[NH+]1CCOCC1 ZINC000532747887 490105903 /nfs/dbraw/zinc/10/59/03/490105903.db2.gz CHXVECXXIRZDFM-IRXDYDNUSA-N 2 2 353.507 0.962 10 0 FCAELP C[C@@H](NC(=O)C(=O)NCc1ccc2c[nH+]cn2c1)[C@@H](C)[NH+]1CCOCC1 ZINC000422302859 490243357 /nfs/dbraw/zinc/24/33/57/490243357.db2.gz YVGJLAGNIQWQBX-ZIAGYGMSSA-N 2 2 359.430 0.176 10 0 FCAELP CCn1nccc1S(=O)(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000547434381 490291765 /nfs/dbraw/zinc/29/17/65/490291765.db2.gz YZYNCMIJYPOQBZ-UHFFFAOYSA-N 2 2 350.448 0.851 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCN(C(=O)NCc2c[nH+]c3n2CCCC3)CC1 ZINC000571592131 491317858 /nfs/dbraw/zinc/31/78/58/491317858.db2.gz CUVZOBPNWHCOGR-UHFFFAOYSA-N 2 2 362.478 0.525 10 0 FCAELP C[NH+]1CCC(CNC(=O)NC[C@@]2(C)CCC(=O)N2)([NH+]2CCCCC2)CC1 ZINC000556659047 491325668 /nfs/dbraw/zinc/32/56/68/491325668.db2.gz BWBFTHNPMCXTJG-GOSISDBHSA-N 2 2 365.522 0.905 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](NC(N)=O)C2)CC1 ZINC000534968293 490430568 /nfs/dbraw/zinc/43/05/68/490430568.db2.gz ZMQKIXOLLQNOQV-DOTOQJQBSA-N 2 2 359.474 0.634 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](NC(N)=O)C2)CC1 ZINC000534968293 490430575 /nfs/dbraw/zinc/43/05/75/490430575.db2.gz ZMQKIXOLLQNOQV-DOTOQJQBSA-N 2 2 359.474 0.634 10 0 FCAELP C[C@H]1C[N@H+](CCNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000523435526 490463224 /nfs/dbraw/zinc/46/32/24/490463224.db2.gz VLHHPVSFSXRYOH-SFHVURJKSA-N 2 2 360.502 0.641 10 0 FCAELP C[C@H]1C[N@@H+](CCNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000523435526 490463228 /nfs/dbraw/zinc/46/32/28/490463228.db2.gz VLHHPVSFSXRYOH-SFHVURJKSA-N 2 2 360.502 0.641 10 0 FCAELP O=S(=O)(NCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)c1cccc(Cl)c1 ZINC000422759641 490473083 /nfs/dbraw/zinc/47/30/83/490473083.db2.gz LCZWSSAQLNHGSS-HZPDHXFCSA-N 2 2 373.906 0.975 10 0 FCAELP C[C@H](CO)[C@H](C)[NH2+]CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000450734924 490486664 /nfs/dbraw/zinc/48/66/64/490486664.db2.gz XQOOQKFXNWQBKZ-CVEARBPZSA-N 2 2 361.486 0.872 10 0 FCAELP C[C@]1(c2ccc(C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)cc2)NC(=O)NC1=O ZINC000422883058 490491868 /nfs/dbraw/zinc/49/18/68/490491868.db2.gz UGDOKLINIWSIII-GPMSIDNRSA-N 2 2 358.442 0.598 10 0 FCAELP C[NH+](C)CC1CCC(NC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000557400562 491372411 /nfs/dbraw/zinc/37/24/11/491372411.db2.gz BZIPDAYKLAPDJV-UHFFFAOYSA-N 2 2 368.522 0.450 10 0 FCAELP Cc1cc(CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)cc(C)[nH+]1 ZINC000422970480 490507730 /nfs/dbraw/zinc/50/77/30/490507730.db2.gz GIAUQDPAPPQAPW-QGZVFWFLSA-N 2 2 353.426 0.883 10 0 FCAELP CC(=O)[C@@](C)(O)C[NH+]1CCCC2(CCC[N@@H+](C[C@](C)(O)C(C)=O)C2)C1 ZINC000451042339 490510783 /nfs/dbraw/zinc/51/07/83/490510783.db2.gz COZJHAVRMJJOMG-ADUPEVMXSA-N 2 2 354.491 0.844 10 0 FCAELP CC(=O)[C@@](C)(O)C[NH+]1CCCC2(CCC[N@H+](C[C@](C)(O)C(C)=O)C2)C1 ZINC000451042339 490510790 /nfs/dbraw/zinc/51/07/90/490510790.db2.gz COZJHAVRMJJOMG-ADUPEVMXSA-N 2 2 354.491 0.844 10 0 FCAELP C[NH+](C)CC1CCC(NC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000557400562 491372413 /nfs/dbraw/zinc/37/24/13/491372413.db2.gz BZIPDAYKLAPDJV-UHFFFAOYSA-N 2 2 368.522 0.450 10 0 FCAELP CCCNC(=O)C[NH+]1CCC(NC(=O)c2ccc(C[NH+](C)C)nc2)CC1 ZINC000550150763 490631089 /nfs/dbraw/zinc/63/10/89/490631089.db2.gz RXHNSEXQVMOTKP-UHFFFAOYSA-N 2 2 361.490 0.864 10 0 FCAELP C[NH+]1CCN(CCCNC(=O)c2cccc(N3CC[NH+](C)CC3)n2)CC1 ZINC000502080538 490674677 /nfs/dbraw/zinc/67/46/77/490674677.db2.gz VVABKEHWTMRDCI-UHFFFAOYSA-N 2 2 360.506 0.201 10 0 FCAELP CN1CC[NH+](CCCNC(=O)c2cccc(N3CC[NH+](C)CC3)n2)CC1 ZINC000502080538 490674678 /nfs/dbraw/zinc/67/46/78/490674678.db2.gz VVABKEHWTMRDCI-UHFFFAOYSA-N 2 2 360.506 0.201 10 0 FCAELP C[C@@H]1CN(C)C[C@H]1[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000537979003 490703423 /nfs/dbraw/zinc/70/34/23/490703423.db2.gz QIFWRHWVAHDSTD-IXDOHACOSA-N 2 2 360.506 0.822 10 0 FCAELP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000565166154 491357399 /nfs/dbraw/zinc/35/73/99/491357399.db2.gz UDTSEHDGAAYLQS-OAHLLOKOSA-N 2 2 366.458 0.980 10 0 FCAELP COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000540885117 490838338 /nfs/dbraw/zinc/83/83/38/490838338.db2.gz ZEYTWGHTARBNCG-CYBMUJFWSA-N 2 2 360.462 0.875 10 0 FCAELP COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000540885117 490838340 /nfs/dbraw/zinc/83/83/40/490838340.db2.gz ZEYTWGHTARBNCG-CYBMUJFWSA-N 2 2 360.462 0.875 10 0 FCAELP CC[NH+](CC)CCCNC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000541179538 490854291 /nfs/dbraw/zinc/85/42/91/490854291.db2.gz MNEBAPVUBPZRSK-OAHLLOKOSA-N 2 2 364.494 0.942 10 0 FCAELP CN(CC[NH+]1CCCC1)C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000542129360 490886957 /nfs/dbraw/zinc/88/69/57/490886957.db2.gz ZJSNMTQMFJAZCN-HNNXBMFYSA-N 2 2 362.478 0.648 10 0 FCAELP CN(C(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000516959076 490887550 /nfs/dbraw/zinc/88/75/50/490887550.db2.gz OFBDHQFCQUMJNS-KRWDZBQOSA-N 2 2 371.485 0.993 10 0 FCAELP CN(C(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000516959076 490887552 /nfs/dbraw/zinc/88/75/52/490887552.db2.gz OFBDHQFCQUMJNS-KRWDZBQOSA-N 2 2 371.485 0.993 10 0 FCAELP CN(CCC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1cc[nH+]cc1 ZINC000542180143 490888199 /nfs/dbraw/zinc/88/81/99/490888199.db2.gz VBBUWGIMPFEAQU-INIZCTEOSA-N 2 2 370.457 0.949 10 0 FCAELP C[N@H+](CC(=O)N1CC[NH2+]CC1)[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000530212096 490892875 /nfs/dbraw/zinc/89/28/75/490892875.db2.gz QUJONDSQBGOSSZ-HNNXBMFYSA-N 2 2 368.840 0.948 10 0 FCAELP C[N@@H+](CC(=O)N1CC[NH2+]CC1)[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000530212096 490892876 /nfs/dbraw/zinc/89/28/76/490892876.db2.gz QUJONDSQBGOSSZ-HNNXBMFYSA-N 2 2 368.840 0.948 10 0 FCAELP O=C(CC[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1)Nc1ccccc1F ZINC000530224561 490893720 /nfs/dbraw/zinc/89/37/20/490893720.db2.gz SSUOMNWOACBVQA-UHFFFAOYSA-N 2 2 363.437 0.797 10 0 FCAELP O[C@@H](C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)CN1CCOCC1 ZINC000517127869 490895835 /nfs/dbraw/zinc/89/58/35/490895835.db2.gz QLFNZMSJCLYHPA-FQEVSTJZSA-N 2 2 362.518 0.481 10 0 FCAELP C[NH+]1CCN(c2nc3ccccc3nc2N2CC[N@@H+]3CCOC[C@@H]3C2)CC1 ZINC000542521022 490899464 /nfs/dbraw/zinc/89/94/64/490899464.db2.gz IXXMPFRMPHBXMG-INIZCTEOSA-N 2 2 368.485 0.902 10 0 FCAELP C[NH+]1CCN(c2nc3ccccc3nc2N2CC[N@H+]3CCOC[C@@H]3C2)CC1 ZINC000542521022 490899468 /nfs/dbraw/zinc/89/94/68/490899468.db2.gz IXXMPFRMPHBXMG-INIZCTEOSA-N 2 2 368.485 0.902 10 0 FCAELP C[NH+]1CCN(c2nc3ccccc3nc2N2CC[N@@H+]3CCOC[C@H]3C2)CC1 ZINC000542521023 490899589 /nfs/dbraw/zinc/89/95/89/490899589.db2.gz IXXMPFRMPHBXMG-MRXNPFEDSA-N 2 2 368.485 0.902 10 0 FCAELP C[NH+]1CCN(c2nc3ccccc3nc2N2CC[N@H+]3CCOC[C@H]3C2)CC1 ZINC000542521023 490899590 /nfs/dbraw/zinc/89/95/90/490899590.db2.gz IXXMPFRMPHBXMG-MRXNPFEDSA-N 2 2 368.485 0.902 10 0 FCAELP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000517406351 490907806 /nfs/dbraw/zinc/90/78/06/490907806.db2.gz YWEKQOVTJRRKKI-UHFFFAOYSA-N 2 2 374.485 0.550 10 0 FCAELP O=C(N1CC[C@@H](OCC[NH+]2CCOCC2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000543003804 490918392 /nfs/dbraw/zinc/91/83/92/490918392.db2.gz IDXHEQTWBYYLPM-QGZVFWFLSA-N 2 2 367.490 0.191 10 0 FCAELP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CC[N@@H+]1C ZINC000543044510 490919585 /nfs/dbraw/zinc/91/95/85/490919585.db2.gz PENXLPMATCGTKA-KFWWJZLASA-N 2 2 362.478 0.693 10 0 FCAELP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CC[N@H+]1C ZINC000543044510 490919587 /nfs/dbraw/zinc/91/95/87/490919587.db2.gz PENXLPMATCGTKA-KFWWJZLASA-N 2 2 362.478 0.693 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)NCCNc2cc[nH+]cc2)C1=O ZINC000543055295 490921049 /nfs/dbraw/zinc/92/10/49/490921049.db2.gz XVPZBQOWVCAPBF-HNNXBMFYSA-N 2 2 371.445 0.139 10 0 FCAELP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000572354802 491364614 /nfs/dbraw/zinc/36/46/14/491364614.db2.gz CFAHCSXFHIVHKB-IAGOWNOFSA-N 2 2 364.490 0.038 10 0 FCAELP CC[NH+]1CCC(CCNC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CC1 ZINC000531190658 490945308 /nfs/dbraw/zinc/94/53/08/490945308.db2.gz MNVHAAHEZYTZJY-UHFFFAOYSA-N 2 2 353.511 0.700 10 0 FCAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000531676701 490970093 /nfs/dbraw/zinc/97/00/93/490970093.db2.gz OXZROUCLYUJGTD-YOEHRIQHSA-N 2 2 353.488 0.747 10 0 FCAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000531676701 490970096 /nfs/dbraw/zinc/97/00/96/490970096.db2.gz OXZROUCLYUJGTD-YOEHRIQHSA-N 2 2 353.488 0.747 10 0 FCAELP C[NH+]1CCC([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 ZINC000532447947 490992913 /nfs/dbraw/zinc/99/29/13/490992913.db2.gz FVBACHSWOSVZQD-UHFFFAOYSA-N 2 2 359.517 0.953 10 0 FCAELP CC[NH+](CC)CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000569622634 491175368 /nfs/dbraw/zinc/17/53/68/491175368.db2.gz ZZYGJOIJVKICDV-CVEARBPZSA-N 2 2 359.536 0.686 10 0 FCAELP CC[NH+](CC)CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000569622634 491175370 /nfs/dbraw/zinc/17/53/70/491175370.db2.gz ZZYGJOIJVKICDV-CVEARBPZSA-N 2 2 359.536 0.686 10 0 FCAELP CSc1ccc(N2C[C@H](C(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])CC2=O)cc1 ZINC000565362264 491372226 /nfs/dbraw/zinc/37/22/26/491372226.db2.gz XFFLDQNHTQRHKS-UKRRQHHQSA-N 2 2 362.499 0.863 10 0 FCAELP CSc1ccc(N2C[C@H](C(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])CC2=O)cc1 ZINC000565362264 491372229 /nfs/dbraw/zinc/37/22/29/491372229.db2.gz XFFLDQNHTQRHKS-UKRRQHHQSA-N 2 2 362.499 0.863 10 0 FCAELP Cc1cc(NC(=O)CC[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)no1 ZINC000572476892 491372819 /nfs/dbraw/zinc/37/28/19/491372819.db2.gz QLEMVJRURFEVQB-ZDUSSCGKSA-N 2 2 360.418 0.826 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCc1[nH+]ccn1CC(F)(F)F)[N@H+](C)C1CC1 ZINC000557565906 491383632 /nfs/dbraw/zinc/38/36/32/491383632.db2.gz OWRCLPAWPFHGSS-JTQLQIEISA-N 2 2 361.368 0.661 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCc1[nH+]ccn1CC(F)(F)F)[N@@H+](C)C1CC1 ZINC000557565906 491383634 /nfs/dbraw/zinc/38/36/34/491383634.db2.gz OWRCLPAWPFHGSS-JTQLQIEISA-N 2 2 361.368 0.661 10 0 FCAELP O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000565592533 491387291 /nfs/dbraw/zinc/38/72/91/491387291.db2.gz IFAWYZGRRMPSMV-CGTJXYLNSA-N 2 2 365.499 0.806 10 0 FCAELP C[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1nc(Cc2ccccc2)no1 ZINC000572764402 491392218 /nfs/dbraw/zinc/39/22/18/491392218.db2.gz UBNXAYQLJCZRFF-RDJZCZTQSA-N 2 2 359.474 0.919 10 0 FCAELP CC[NH+](CC)CCNC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000565847660 491403164 /nfs/dbraw/zinc/40/31/64/491403164.db2.gz KMAVIVLOQVVMCZ-MRXNPFEDSA-N 2 2 354.495 0.158 10 0 FCAELP CC[C@H](COC)NC(=O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000559627202 491487861 /nfs/dbraw/zinc/48/78/61/491487861.db2.gz WPHZNQJHNOJHDF-MRXNPFEDSA-N 2 2 368.522 0.594 10 0 FCAELP O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000567597766 491516561 /nfs/dbraw/zinc/51/65/61/491516561.db2.gz XEOPWXJLKYXABG-LLVKDONJSA-N 2 2 352.385 0.133 10 0 FCAELP O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000567597766 491516563 /nfs/dbraw/zinc/51/65/63/491516563.db2.gz XEOPWXJLKYXABG-LLVKDONJSA-N 2 2 352.385 0.133 10 0 FCAELP NS(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000575029511 491534844 /nfs/dbraw/zinc/53/48/44/491534844.db2.gz IJCQSCXJEBYWDE-CJNGLKHVSA-N 2 2 366.487 0.737 10 0 FCAELP NS(=O)(=O)c1ccc(NC(=O)C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000575029511 491534845 /nfs/dbraw/zinc/53/48/45/491534845.db2.gz IJCQSCXJEBYWDE-CJNGLKHVSA-N 2 2 366.487 0.737 10 0 FCAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000561180975 491580940 /nfs/dbraw/zinc/58/09/40/491580940.db2.gz MANYVVXWBJVHJD-OAHLLOKOSA-N 2 2 362.478 0.645 10 0 FCAELP C[C@@H]1CC[N@H+](CC(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000561215196 491584139 /nfs/dbraw/zinc/58/41/39/491584139.db2.gz BLKBJYMJYCVMBF-QGZVFWFLSA-N 2 2 358.486 0.789 10 0 FCAELP C[C@@H]1CC[N@@H+](CC(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000561215196 491584143 /nfs/dbraw/zinc/58/41/43/491584143.db2.gz BLKBJYMJYCVMBF-QGZVFWFLSA-N 2 2 358.486 0.789 10 0 FCAELP C[C@@H]1CN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)[C@@H](C)C[N@@H+]1CCO ZINC000584399239 491586494 /nfs/dbraw/zinc/58/64/94/491586494.db2.gz JCPZNQLEQAFKBJ-CVEARBPZSA-N 2 2 361.490 0.361 10 0 FCAELP C[C@@H]1CN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)[C@@H](C)C[N@H+]1CCO ZINC000584399239 491586498 /nfs/dbraw/zinc/58/64/98/491586498.db2.gz JCPZNQLEQAFKBJ-CVEARBPZSA-N 2 2 361.490 0.361 10 0 FCAELP O=C(CN1CC[NH2+]C[C@H]1C(F)F)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000584413096 491588424 /nfs/dbraw/zinc/58/84/24/491588424.db2.gz UPBKSLOWHYUDNY-INIZCTEOSA-N 2 2 368.428 0.996 10 0 FCAELP COCC[N@H+](C)C[C@H](O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000576288952 491602355 /nfs/dbraw/zinc/60/23/55/491602355.db2.gz MWZUZUHDTKGPEJ-SWDXFRIISA-N 3 2 354.539 0.168 10 0 FCAELP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000576288952 491602359 /nfs/dbraw/zinc/60/23/59/491602359.db2.gz MWZUZUHDTKGPEJ-SWDXFRIISA-N 3 2 354.539 0.168 10 0 FCAELP COCC[NH+](C)C[C@H](O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000576288952 491602362 /nfs/dbraw/zinc/60/23/62/491602362.db2.gz MWZUZUHDTKGPEJ-SWDXFRIISA-N 3 2 354.539 0.168 10 0 FCAELP COCC[NH+](C)C[C@H](O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000576288952 491602364 /nfs/dbraw/zinc/60/23/64/491602364.db2.gz MWZUZUHDTKGPEJ-SWDXFRIISA-N 3 2 354.539 0.168 10 0 FCAELP C[C@@H]1COCC[N@@H+]1C1CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000568878606 491616359 /nfs/dbraw/zinc/61/63/59/491616359.db2.gz DVZBHFCPFWOSEJ-HZPDHXFCSA-N 2 2 359.536 0.843 10 0 FCAELP C[C@@H]1COCC[N@H+]1C1CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000568878606 491616361 /nfs/dbraw/zinc/61/63/61/491616361.db2.gz DVZBHFCPFWOSEJ-HZPDHXFCSA-N 2 2 359.536 0.843 10 0 FCAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@@H](Nc3ncccn3)C2)CC1 ZINC000569098509 491633407 /nfs/dbraw/zinc/63/34/07/491633407.db2.gz HREVXUFWNHPQNI-OAHLLOKOSA-N 2 2 361.494 0.698 10 0 FCAELP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000576728781 491639740 /nfs/dbraw/zinc/63/97/40/491639740.db2.gz ZFDMBAYHXHEUDO-STQMWFEESA-N 2 2 360.462 0.561 10 0 FCAELP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000576728781 491639743 /nfs/dbraw/zinc/63/97/43/491639743.db2.gz ZFDMBAYHXHEUDO-STQMWFEESA-N 2 2 360.462 0.561 10 0 FCAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000562363869 491667495 /nfs/dbraw/zinc/66/74/95/491667495.db2.gz JKLUDEIQOUKWMS-DNVCBOLYSA-N 2 2 357.458 0.331 10 0 FCAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000562363869 491667496 /nfs/dbraw/zinc/66/74/96/491667496.db2.gz JKLUDEIQOUKWMS-DNVCBOLYSA-N 2 2 357.458 0.331 10 0 FCAELP CCN(C(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1)[C@@H]1CC[N@H+](C)C1 ZINC000668468812 493359474 /nfs/dbraw/zinc/35/94/74/493359474.db2.gz BGHMIVAYSGJZCF-MRXNPFEDSA-N 2 2 359.474 0.851 10 0 FCAELP CCN(C(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1)[C@@H]1CC[N@@H+](C)C1 ZINC000668468812 493359478 /nfs/dbraw/zinc/35/94/78/493359478.db2.gz BGHMIVAYSGJZCF-MRXNPFEDSA-N 2 2 359.474 0.851 10 0 FCAELP CN1CC[C@@H]([NH+]2CCC(NC(=O)Cn3c[nH+]c4c3CCCC4)CC2)C1=O ZINC000578233211 491672789 /nfs/dbraw/zinc/67/27/89/491672789.db2.gz QCXIWZWDXNADNT-QGZVFWFLSA-N 2 2 359.474 0.573 10 0 FCAELP CN(C)C(=O)C1(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000578255584 491673459 /nfs/dbraw/zinc/67/34/59/491673459.db2.gz ATAKNCABYBGJBB-UHFFFAOYSA-N 2 2 350.507 0.921 10 0 FCAELP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000578426987 491676958 /nfs/dbraw/zinc/67/69/58/491676958.db2.gz AHFDJMUNLQNMSK-HIFRSBDPSA-N 2 2 350.488 0.507 10 0 FCAELP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@@H](C)O1 ZINC000579091971 491690662 /nfs/dbraw/zinc/69/06/62/491690662.db2.gz ZOFMSHKDHBRYSK-FPCVCCKLSA-N 2 2 366.506 0.343 10 0 FCAELP O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)N1CCOC2(C[NH2+]C2)C1 ZINC000584579790 491708430 /nfs/dbraw/zinc/70/84/30/491708430.db2.gz NEVLJZPFCYJYRO-KRWDZBQOSA-N 2 2 360.458 0.444 10 0 FCAELP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000580822802 491747070 /nfs/dbraw/zinc/74/70/70/491747070.db2.gz HWPYDOQYZMUWFT-HOTGVXAUSA-N 2 2 374.489 0.418 10 0 FCAELP COCCC[NH+]1CCC(Nc2nc(NCCO)c3ccccc3[nH+]2)CC1 ZINC000588898040 491751388 /nfs/dbraw/zinc/75/13/88/491751388.db2.gz QYXLAEANWJNQMF-UHFFFAOYSA-N 2 2 359.474 0.791 10 0 FCAELP CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000581145550 491761491 /nfs/dbraw/zinc/76/14/91/491761491.db2.gz JKQWHBXCLWHPSP-QGZVFWFLSA-N 2 2 366.506 0.300 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000581180097 491762489 /nfs/dbraw/zinc/76/24/89/491762489.db2.gz HDSKJNQNTFKFRI-HNNXBMFYSA-N 2 2 360.462 0.253 10 0 FCAELP COC(=O)c1cc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)on1 ZINC000590593125 491780477 /nfs/dbraw/zinc/78/04/77/491780477.db2.gz KLJFQWMYSMWVTL-UHFFFAOYSA-N 2 2 364.446 0.837 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)CN2CC[NH2+]CC2=O)[C@@H]1c1ccc(Cl)cc1 ZINC000582544920 491817123 /nfs/dbraw/zinc/81/71/23/491817123.db2.gz CVRKLBQTNXYCKE-PBHICJAKSA-N 2 2 350.850 0.633 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)CN2CC[NH2+]CC2=O)[C@@H]1c1ccc(Cl)cc1 ZINC000582544920 491817124 /nfs/dbraw/zinc/81/71/24/491817124.db2.gz CVRKLBQTNXYCKE-PBHICJAKSA-N 2 2 350.850 0.633 10 0 FCAELP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC000582861940 491830096 /nfs/dbraw/zinc/83/00/96/491830096.db2.gz BUCFEBHXPVNIEB-YVSFHVDLSA-N 2 2 368.522 0.401 10 0 FCAELP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC000582861940 491830097 /nfs/dbraw/zinc/83/00/97/491830097.db2.gz BUCFEBHXPVNIEB-YVSFHVDLSA-N 2 2 368.522 0.401 10 0 FCAELP COc1ccc(-n2cc(CNC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])nn2)cc1 ZINC000583252855 491840956 /nfs/dbraw/zinc/84/09/56/491840956.db2.gz CGZHDWPGHREZSS-HNNXBMFYSA-N 2 2 359.434 0.060 10 0 FCAELP COc1ccc(-n2cc(CNC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])nn2)cc1 ZINC000583252855 491840957 /nfs/dbraw/zinc/84/09/57/491840957.db2.gz CGZHDWPGHREZSS-HNNXBMFYSA-N 2 2 359.434 0.060 10 0 FCAELP C[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cn2ccccc2n1 ZINC000583336430 491842745 /nfs/dbraw/zinc/84/27/45/491842745.db2.gz MFJHWGFVQHBLHI-CVEARBPZSA-N 2 2 357.458 0.918 10 0 FCAELP Cn1cc([C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c2ccc(F)cc2)cn1 ZINC000583356734 491843133 /nfs/dbraw/zinc/84/31/33/491843133.db2.gz WKCOGNZOWLDNKK-RBUKOAKNSA-N 2 2 361.465 0.847 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2C[NH2+]CCO2)[C@@H]1c1ccc(F)c(F)c1 ZINC000583554298 491847444 /nfs/dbraw/zinc/84/74/44/491847444.db2.gz JOMGKIGRUCQBBK-KCXAZCMYSA-N 2 2 354.401 0.998 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)NC[C@H]2C[NH2+]CCO2)[C@@H]1c1ccc(F)c(F)c1 ZINC000583554298 491847445 /nfs/dbraw/zinc/84/74/45/491847445.db2.gz JOMGKIGRUCQBBK-KCXAZCMYSA-N 2 2 354.401 0.998 10 0 FCAELP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000584107212 491858730 /nfs/dbraw/zinc/85/87/30/491858730.db2.gz VBJVEABXSSATLF-HRCADAONSA-N 2 2 353.488 0.806 10 0 FCAELP COC(=O)CCN1CCC[C@H]([N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1=O ZINC000600720201 491878891 /nfs/dbraw/zinc/87/88/91/491878891.db2.gz FKLBELWIUAPIIU-AVGNSLFASA-N 2 2 365.396 1.000 10 0 FCAELP COC(=O)CCN1CCC[C@H]([N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1=O ZINC000600720201 491878893 /nfs/dbraw/zinc/87/88/93/491878893.db2.gz FKLBELWIUAPIIU-AVGNSLFASA-N 2 2 365.396 1.000 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC000611947827 491884576 /nfs/dbraw/zinc/88/45/76/491884576.db2.gz IZJFHPKYMAWVDN-QGZVFWFLSA-N 2 2 355.442 0.470 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC000611947827 491884577 /nfs/dbraw/zinc/88/45/77/491884577.db2.gz IZJFHPKYMAWVDN-QGZVFWFLSA-N 2 2 355.442 0.470 10 0 FCAELP C[NH+](C)CCCN(C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCS(=O)(=O)C1 ZINC000612056772 491895587 /nfs/dbraw/zinc/89/55/87/491895587.db2.gz KIDPUVORHDDMTF-KGLIPLIRSA-N 2 2 368.503 0.482 10 0 FCAELP C[NH+](C)CCCN(C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCS(=O)(=O)C1 ZINC000612056772 491895589 /nfs/dbraw/zinc/89/55/89/491895589.db2.gz KIDPUVORHDDMTF-KGLIPLIRSA-N 2 2 368.503 0.482 10 0 FCAELP C[NH+](C)CCCN(C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000612056774 491895713 /nfs/dbraw/zinc/89/57/13/491895713.db2.gz KIDPUVORHDDMTF-ZIAGYGMSSA-N 2 2 368.503 0.482 10 0 FCAELP C[NH+](C)CCCN(C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000612056774 491895715 /nfs/dbraw/zinc/89/57/15/491895715.db2.gz KIDPUVORHDDMTF-ZIAGYGMSSA-N 2 2 368.503 0.482 10 0 FCAELP CCC[C@@H](C(=O)OCC)n1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000595235623 491904823 /nfs/dbraw/zinc/90/48/23/491904823.db2.gz UXZLZYRHWJUZAN-KGLIPLIRSA-N 2 2 366.466 0.894 10 0 FCAELP CCC[C@@H](C(=O)OCC)n1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000595235623 491904826 /nfs/dbraw/zinc/90/48/26/491904826.db2.gz UXZLZYRHWJUZAN-KGLIPLIRSA-N 2 2 366.466 0.894 10 0 FCAELP COC(=O)C12CC(C1)C[N@@H+]2CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000595676149 491948327 /nfs/dbraw/zinc/94/83/27/491948327.db2.gz AOFXGXOGLINNOE-UHFFFAOYSA-N 2 2 358.442 0.758 10 0 FCAELP COC(=O)C12CC(C1)C[N@H+]2CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000595676149 491948329 /nfs/dbraw/zinc/94/83/29/491948329.db2.gz AOFXGXOGLINNOE-UHFFFAOYSA-N 2 2 358.442 0.758 10 0 FCAELP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000595905215 491960278 /nfs/dbraw/zinc/96/02/78/491960278.db2.gz AFPMPKIQEMDBMX-SJORKVTESA-N 2 2 369.506 0.831 10 0 FCAELP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000595905215 491960280 /nfs/dbraw/zinc/96/02/80/491960280.db2.gz AFPMPKIQEMDBMX-SJORKVTESA-N 2 2 369.506 0.831 10 0 FCAELP COC(=O)C1CCN(C(=O)C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000595905584 491960364 /nfs/dbraw/zinc/96/03/64/491960364.db2.gz VWNSLPYRVURSSR-MRXNPFEDSA-N 2 2 355.479 0.441 10 0 FCAELP COC(=O)C1CCN(C(=O)C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000595905584 491960365 /nfs/dbraw/zinc/96/03/65/491960365.db2.gz VWNSLPYRVURSSR-MRXNPFEDSA-N 2 2 355.479 0.441 10 0 FCAELP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595905231 491960562 /nfs/dbraw/zinc/96/05/62/491960562.db2.gz QVFULUDAIVWNBV-DLBZAZTESA-N 2 2 369.506 0.973 10 0 FCAELP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595905231 491960564 /nfs/dbraw/zinc/96/05/64/491960564.db2.gz QVFULUDAIVWNBV-DLBZAZTESA-N 2 2 369.506 0.973 10 0 FCAELP CC1(C)C[NH+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000613981432 492007409 /nfs/dbraw/zinc/00/74/09/492007409.db2.gz GKRQAWBIYCMHFY-HUUCEWRRSA-N 2 2 350.507 0.824 10 0 FCAELP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000613997577 492008887 /nfs/dbraw/zinc/00/88/87/492008887.db2.gz YUCCVTXJXMUAEQ-IAGOWNOFSA-N 2 2 356.470 0.559 10 0 FCAELP C[NH+]1CCN(c2cc(C(=O)NCCCN3CCC[N@H+](C)CC3)ccn2)CC1 ZINC000603896732 492045560 /nfs/dbraw/zinc/04/55/60/492045560.db2.gz GAGNBAWLBYJSAO-UHFFFAOYSA-N 2 2 374.533 0.591 10 0 FCAELP C[NH+]1CCN(c2cc(C(=O)NCCCN3CCC[N@@H+](C)CC3)ccn2)CC1 ZINC000603896732 492045564 /nfs/dbraw/zinc/04/55/64/492045564.db2.gz GAGNBAWLBYJSAO-UHFFFAOYSA-N 2 2 374.533 0.591 10 0 FCAELP CN1CCC[N@H+](CCCNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000603896732 492045565 /nfs/dbraw/zinc/04/55/65/492045565.db2.gz GAGNBAWLBYJSAO-UHFFFAOYSA-N 2 2 374.533 0.591 10 0 FCAELP CN1CCC[N@@H+](CCCNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000603896732 492045569 /nfs/dbraw/zinc/04/55/69/492045569.db2.gz GAGNBAWLBYJSAO-UHFFFAOYSA-N 2 2 374.533 0.591 10 0 FCAELP CC(C)NC(=O)C[N@H+](C)CC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000617113033 492155443 /nfs/dbraw/zinc/15/54/43/492155443.db2.gz VFYHHGRCAYKJEH-UHFFFAOYSA-N 2 2 368.522 0.450 10 0 FCAELP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000617113033 492155445 /nfs/dbraw/zinc/15/54/45/492155445.db2.gz VFYHHGRCAYKJEH-UHFFFAOYSA-N 2 2 368.522 0.450 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CSCN1C(=O)C(C)(C)C ZINC000617766818 492190367 /nfs/dbraw/zinc/19/03/67/492190367.db2.gz VZTOJEOVNQTMFX-CQSZACIVSA-N 2 2 358.552 0.934 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CSCN1C(=O)C(C)(C)C ZINC000617766818 492190369 /nfs/dbraw/zinc/19/03/69/492190369.db2.gz VZTOJEOVNQTMFX-CQSZACIVSA-N 2 2 358.552 0.934 10 0 FCAELP COC(=O)[C@@]1(OC)CC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000599565421 492188603 /nfs/dbraw/zinc/18/86/03/492188603.db2.gz SFOHZHRMKSPAQM-VQIMIIECSA-N 2 2 363.458 0.669 10 0 FCAELP COC(=O)[C@@]1(OC)CC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000599565421 492188604 /nfs/dbraw/zinc/18/86/04/492188604.db2.gz SFOHZHRMKSPAQM-VQIMIIECSA-N 2 2 363.458 0.669 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000617763649 492190091 /nfs/dbraw/zinc/19/00/91/492190091.db2.gz WSVXVNLHCXDPEM-UHFFFAOYSA-N 2 2 362.540 0.048 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000617763649 492190093 /nfs/dbraw/zinc/19/00/93/492190093.db2.gz WSVXVNLHCXDPEM-UHFFFAOYSA-N 2 2 362.540 0.048 10 0 FCAELP Cc1cnn(-c2c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(C)nn2C)c1 ZINC000617764693 492190103 /nfs/dbraw/zinc/19/01/03/492190103.db2.gz CCSGUABILXPIRC-UHFFFAOYSA-N 2 2 361.494 0.836 10 0 FCAELP Cc1cnn(-c2c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(C)nn2C)c1 ZINC000617764693 492190106 /nfs/dbraw/zinc/19/01/06/492190106.db2.gz CCSGUABILXPIRC-UHFFFAOYSA-N 2 2 361.494 0.836 10 0 FCAELP Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765465 492190215 /nfs/dbraw/zinc/19/02/15/492190215.db2.gz BSCQRNXICHEXNV-UHFFFAOYSA-N 2 2 374.507 0.452 10 0 FCAELP Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765465 492190217 /nfs/dbraw/zinc/19/02/17/492190217.db2.gz BSCQRNXICHEXNV-UHFFFAOYSA-N 2 2 374.507 0.452 10 0 FCAELP CCn1c2ccccc2n(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1=O ZINC000617767860 492190389 /nfs/dbraw/zinc/19/03/89/492190389.db2.gz GIURMHYPTTWARR-UHFFFAOYSA-N 2 2 361.490 0.823 10 0 FCAELP CCn1c2ccccc2n(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1=O ZINC000617767860 492190391 /nfs/dbraw/zinc/19/03/91/492190391.db2.gz GIURMHYPTTWARR-UHFFFAOYSA-N 2 2 361.490 0.823 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000617766320 492190455 /nfs/dbraw/zinc/19/04/55/492190455.db2.gz GIALQPKJELTJPA-HXUWFJFHSA-N 3 2 362.518 0.623 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000617766320 492190458 /nfs/dbraw/zinc/19/04/58/492190458.db2.gz GIALQPKJELTJPA-HXUWFJFHSA-N 3 2 362.518 0.623 10 0 FCAELP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000617766320 492190461 /nfs/dbraw/zinc/19/04/61/492190461.db2.gz GIALQPKJELTJPA-HXUWFJFHSA-N 3 2 362.518 0.623 10 0 FCAELP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000617766320 492190464 /nfs/dbraw/zinc/19/04/64/492190464.db2.gz GIALQPKJELTJPA-HXUWFJFHSA-N 3 2 362.518 0.623 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cn1cc(C(N)=O)c2ccccc21 ZINC000617767428 492191044 /nfs/dbraw/zinc/19/10/44/492191044.db2.gz VBIOOLYPHIEFLZ-UHFFFAOYSA-N 2 2 359.474 0.740 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cn1cc(C(N)=O)c2ccccc21 ZINC000617767428 492191046 /nfs/dbraw/zinc/19/10/46/492191046.db2.gz VBIOOLYPHIEFLZ-UHFFFAOYSA-N 2 2 359.474 0.740 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000617768751 492191355 /nfs/dbraw/zinc/19/13/55/492191355.db2.gz SUSVRWRKPKUHCV-IYBDPMFKSA-N 2 2 366.506 0.551 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000617768751 492191358 /nfs/dbraw/zinc/19/13/58/492191358.db2.gz SUSVRWRKPKUHCV-IYBDPMFKSA-N 2 2 366.506 0.551 10 0 FCAELP Cc1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1S(N)(=O)=O ZINC000617768684 492191615 /nfs/dbraw/zinc/19/16/15/492191615.db2.gz PXRCUJKQNLNUKN-UHFFFAOYSA-N 2 2 356.492 0.256 10 0 FCAELP Cc1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1S(N)(=O)=O ZINC000617768684 492191617 /nfs/dbraw/zinc/19/16/17/492191617.db2.gz PXRCUJKQNLNUKN-UHFFFAOYSA-N 2 2 356.492 0.256 10 0 FCAELP COC(=O)[C@@H]1C[NH+](CCCC[N@@H+]2C[C@@H](C)O[C@H](C(=O)OC)C2)C[C@@H](C)O1 ZINC000599601940 492192677 /nfs/dbraw/zinc/19/26/77/492192677.db2.gz KAOYLHCUGRUUDS-WCVJEAGWSA-N 2 2 372.462 0.291 10 0 FCAELP COC(=O)[C@@H]1C[NH+](CCCC[N@H+]2C[C@@H](C)O[C@H](C(=O)OC)C2)C[C@@H](C)O1 ZINC000599601940 492192680 /nfs/dbraw/zinc/19/26/80/492192680.db2.gz KAOYLHCUGRUUDS-WCVJEAGWSA-N 2 2 372.462 0.291 10 0 FCAELP CCC1([NH+]2CCOCC2)CC[NH+]([C@H]2CCN(CCC(=O)OC)C2=O)CC1 ZINC000599663547 492197517 /nfs/dbraw/zinc/19/75/17/492197517.db2.gz HIEWNDZYSDAAGG-INIZCTEOSA-N 2 2 367.490 0.727 10 0 FCAELP C[NH+]1CCC(C(=O)NC[C@@]2(CO)COCC[N@@H+]2Cc2ccccc2)CC1 ZINC000619943787 492284136 /nfs/dbraw/zinc/28/41/36/492284136.db2.gz GZBMEAUOFRPRHU-HXUWFJFHSA-N 2 2 361.486 0.708 10 0 FCAELP C[NH+]1CCC(C(=O)NC[C@@]2(CO)COCC[N@H+]2Cc2ccccc2)CC1 ZINC000619943787 492284137 /nfs/dbraw/zinc/28/41/37/492284137.db2.gz GZBMEAUOFRPRHU-HXUWFJFHSA-N 2 2 361.486 0.708 10 0 FCAELP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000611409840 492287695 /nfs/dbraw/zinc/28/76/95/492287695.db2.gz TUOYDKCCRYGNQN-QGZVFWFLSA-N 2 2 367.490 0.774 10 0 FCAELP O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000627440393 492296517 /nfs/dbraw/zinc/29/65/17/492296517.db2.gz JPLCYYSVTPELAE-HNNXBMFYSA-N 2 2 362.499 0.793 10 0 FCAELP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654389199 492297313 /nfs/dbraw/zinc/29/73/13/492297313.db2.gz KYZDQTDVXZQWJO-RBUKOAKNSA-N 2 2 374.485 0.479 10 0 FCAELP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654389199 492297316 /nfs/dbraw/zinc/29/73/16/492297316.db2.gz KYZDQTDVXZQWJO-RBUKOAKNSA-N 2 2 374.485 0.479 10 0 FCAELP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627453228 492301476 /nfs/dbraw/zinc/30/14/76/492301476.db2.gz HBSXIIMKBOEJJF-AWEZNQCLSA-N 2 2 363.462 0.581 10 0 FCAELP CCCN(C(=O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000647566918 492312818 /nfs/dbraw/zinc/31/28/18/492312818.db2.gz GPWXMCJRRZJGFM-QGZVFWFLSA-N 2 2 373.501 0.981 10 0 FCAELP CCCN(C(=O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000647566918 492312823 /nfs/dbraw/zinc/31/28/23/492312823.db2.gz GPWXMCJRRZJGFM-QGZVFWFLSA-N 2 2 373.501 0.981 10 0 FCAELP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000647597043 492332272 /nfs/dbraw/zinc/33/22/72/492332272.db2.gz FKXGFEGYGHWUHW-JKSUJKDBSA-N 3 2 367.538 0.295 10 0 FCAELP Nc1nc(N2CCC(c3nnc4n3CC[NH2+]C4)CC2)c2c([nH+]1)CCCC2 ZINC000647708742 492349190 /nfs/dbraw/zinc/34/91/90/492349190.db2.gz YPKPAHGUNDBOMN-UHFFFAOYSA-N 2 2 354.462 1.016 10 0 FCAELP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CCO1 ZINC000642519131 492360597 /nfs/dbraw/zinc/36/05/97/492360597.db2.gz GEHJAFOPGDPHRS-GWCFXTLKSA-N 2 2 365.821 0.179 10 0 FCAELP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000642519144 492361212 /nfs/dbraw/zinc/36/12/12/492361212.db2.gz LUEMFVDWWKIYHW-FQEVSTJZSA-N 2 2 371.485 0.900 10 0 FCAELP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)CC1 ZINC000621358628 492378993 /nfs/dbraw/zinc/37/89/93/492378993.db2.gz OFKUIEFTEZAKIG-QGZVFWFLSA-N 2 2 365.499 0.846 10 0 FCAELP NC(=O)COc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647904186 492381169 /nfs/dbraw/zinc/38/11/69/492381169.db2.gz YBRIJSTVOQQVIQ-WMZOPIPTSA-N 2 2 374.485 0.631 10 0 FCAELP NC(=O)COc1ccc(CNC(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647904186 492381171 /nfs/dbraw/zinc/38/11/71/492381171.db2.gz YBRIJSTVOQQVIQ-WMZOPIPTSA-N 2 2 374.485 0.631 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(NS(C)(=O)=O)nc1 ZINC000628051190 492452173 /nfs/dbraw/zinc/45/21/73/492452173.db2.gz YLUGTTIPEPTTEQ-ZDUSSCGKSA-N 2 2 371.507 0.455 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(NS(C)(=O)=O)nc1 ZINC000628051190 492452177 /nfs/dbraw/zinc/45/21/77/492452177.db2.gz YLUGTTIPEPTTEQ-ZDUSSCGKSA-N 2 2 371.507 0.455 10 0 FCAELP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000643509212 492484526 /nfs/dbraw/zinc/48/45/26/492484526.db2.gz IJDVOIKKLMOYCC-BBWFWOEESA-N 2 2 366.506 0.286 10 0 FCAELP CC[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC[C@H]1[NH3+] ZINC000643509197 492484692 /nfs/dbraw/zinc/48/46/92/492484692.db2.gz FMHFNHKCSUGCRZ-BRWVUGGUSA-N 2 2 366.506 0.286 10 0 FCAELP C[NH+](C)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000635659227 492488111 /nfs/dbraw/zinc/48/81/11/492488111.db2.gz TVRZAYOOIPXULX-MGPQQGTHSA-N 2 2 354.476 0.481 10 0 FCAELP C[NH+](C)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000635659227 492488114 /nfs/dbraw/zinc/48/81/14/492488114.db2.gz TVRZAYOOIPXULX-MGPQQGTHSA-N 2 2 354.476 0.481 10 0 FCAELP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000649074437 492490664 /nfs/dbraw/zinc/49/06/64/492490664.db2.gz IRTQUKYRXLTRKA-SJLPKXTDSA-N 2 2 374.485 0.466 10 0 FCAELP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000649074437 492490668 /nfs/dbraw/zinc/49/06/68/492490668.db2.gz IRTQUKYRXLTRKA-SJLPKXTDSA-N 2 2 374.485 0.466 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000643541433 492494659 /nfs/dbraw/zinc/49/46/59/492494659.db2.gz KMIBTLYDFZNKDT-FQEVSTJZSA-N 2 2 371.485 0.641 10 0 FCAELP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656039542 492522670 /nfs/dbraw/zinc/52/26/70/492522670.db2.gz CSTFKOIKKMCWJB-WCVJEAGWSA-N 2 2 354.495 0.058 10 0 FCAELP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656039542 492522676 /nfs/dbraw/zinc/52/26/76/492522676.db2.gz CSTFKOIKKMCWJB-WCVJEAGWSA-N 2 2 354.495 0.058 10 0 FCAELP C[N@H+](CC(=O)NC[C@]1(CO)COCC2(CCC2)[NH+]1C)[C@H]1CCSC1 ZINC000628579511 492523898 /nfs/dbraw/zinc/52/38/98/492523898.db2.gz YLZOAUHQZHFORQ-YOEHRIQHSA-N 2 2 357.520 0.156 10 0 FCAELP C[N@@H+](CC(=O)NC[C@]1(CO)COCC2(CCC2)[NH+]1C)[C@H]1CCSC1 ZINC000628579511 492523903 /nfs/dbraw/zinc/52/39/03/492523903.db2.gz YLZOAUHQZHFORQ-YOEHRIQHSA-N 2 2 357.520 0.156 10 0 FCAELP C[NH+](CC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C)[C@H]1CCSC1 ZINC000628579511 492523905 /nfs/dbraw/zinc/52/39/05/492523905.db2.gz YLZOAUHQZHFORQ-YOEHRIQHSA-N 2 2 357.520 0.156 10 0 FCAELP C[NH+](CC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C)[C@H]1CCSC1 ZINC000628579511 492523907 /nfs/dbraw/zinc/52/39/07/492523907.db2.gz YLZOAUHQZHFORQ-YOEHRIQHSA-N 2 2 357.520 0.156 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656072620 492533530 /nfs/dbraw/zinc/53/35/30/492533530.db2.gz SXBLDJWUGWCHRJ-HRCADAONSA-N 2 2 366.506 0.297 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656072620 492533533 /nfs/dbraw/zinc/53/35/33/492533533.db2.gz SXBLDJWUGWCHRJ-HRCADAONSA-N 2 2 366.506 0.297 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000649343261 492539998 /nfs/dbraw/zinc/53/99/98/492539998.db2.gz SOQQFRAXEZDFIH-MRXNPFEDSA-N 2 2 352.866 0.962 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081123 492542308 /nfs/dbraw/zinc/54/23/08/492542308.db2.gz AHCDWBJVXLZGAX-SOUVJXGZSA-N 2 2 354.495 0.153 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081123 492542311 /nfs/dbraw/zinc/54/23/11/492542311.db2.gz AHCDWBJVXLZGAX-SOUVJXGZSA-N 2 2 354.495 0.153 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N(C)CC[NH+](C)C1CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081123 492542317 /nfs/dbraw/zinc/54/23/17/492542317.db2.gz AHCDWBJVXLZGAX-SOUVJXGZSA-N 2 2 354.495 0.153 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N(C)CC[NH+](C)C1CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081123 492542321 /nfs/dbraw/zinc/54/23/21/492542321.db2.gz AHCDWBJVXLZGAX-SOUVJXGZSA-N 2 2 354.495 0.153 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[NH+]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656086093 492547143 /nfs/dbraw/zinc/54/71/43/492547143.db2.gz QKODSKILMXRUEO-CAOSSQGBSA-N 2 2 354.495 0.153 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656086093 492547138 /nfs/dbraw/zinc/54/71/38/492547138.db2.gz QKODSKILMXRUEO-CAOSSQGBSA-N 2 2 354.495 0.153 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[NH+]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656086093 492547147 /nfs/dbraw/zinc/54/71/47/492547147.db2.gz QKODSKILMXRUEO-CAOSSQGBSA-N 2 2 354.495 0.153 10 0 FCAELP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2c[nH]nc2CN2C(=O)c3ccccc3C2=O)C1 ZINC000623492800 492560351 /nfs/dbraw/zinc/56/03/51/492560351.db2.gz KRVLYNNLOGQCSJ-LJQANCHMSA-N 2 2 369.425 0.362 10 0 FCAELP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2c[nH]nc2CN2C(=O)c3ccccc3C2=O)C1 ZINC000623492800 492560353 /nfs/dbraw/zinc/56/03/53/492560353.db2.gz KRVLYNNLOGQCSJ-LJQANCHMSA-N 2 2 369.425 0.362 10 0 FCAELP C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000628920815 492563929 /nfs/dbraw/zinc/56/39/29/492563929.db2.gz OSOLUDBUKVQSBD-KRWDZBQOSA-N 2 2 371.441 0.972 10 0 FCAELP C[N@H+]1CCOC[C@@H]1CNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000628920815 492563930 /nfs/dbraw/zinc/56/39/30/492563930.db2.gz OSOLUDBUKVQSBD-KRWDZBQOSA-N 2 2 371.441 0.972 10 0 FCAELP C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656284843 492569481 /nfs/dbraw/zinc/56/94/81/492569481.db2.gz AHGAEQIPPMOLTB-ZACQAIPSSA-N 2 2 368.522 0.593 10 0 FCAELP C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656284843 492569485 /nfs/dbraw/zinc/56/94/85/492569485.db2.gz AHGAEQIPPMOLTB-ZACQAIPSSA-N 2 2 368.522 0.593 10 0 FCAELP C[NH+](C)CCN1CC[N@H+](CCC(=O)NCC(=O)c2ccccc2)CC1=O ZINC000649686117 492570688 /nfs/dbraw/zinc/57/06/88/492570688.db2.gz ZGSOYHGCMVANNR-UHFFFAOYSA-N 2 2 360.458 0.081 10 0 FCAELP C[NH+](C)CCN1CC[N@@H+](CCC(=O)NCC(=O)c2ccccc2)CC1=O ZINC000649686117 492570693 /nfs/dbraw/zinc/57/06/93/492570693.db2.gz ZGSOYHGCMVANNR-UHFFFAOYSA-N 2 2 360.458 0.081 10 0 FCAELP C[NH+](C)CCN1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1=O ZINC000649685162 492570920 /nfs/dbraw/zinc/57/09/20/492570920.db2.gz QIVLDVZHQLOGHI-UHFFFAOYSA-N 3 2 360.502 0.725 10 0 FCAELP C[NH+](C)CCN1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1=O ZINC000649685162 492570924 /nfs/dbraw/zinc/57/09/24/492570924.db2.gz QIVLDVZHQLOGHI-UHFFFAOYSA-N 3 2 360.502 0.725 10 0 FCAELP C[NH+](C)CCN1CCN(Cc2cccc(C[NH+]3CCOCC3)c2)CC1=O ZINC000649684775 492571051 /nfs/dbraw/zinc/57/10/51/492571051.db2.gz BJEVTFIECOPTFK-UHFFFAOYSA-N 2 2 360.502 0.725 10 0 FCAELP C[NH+](C)CCN1CC[N@H+](C[C@H](O)COc2ccccc2Cl)CC1=O ZINC000649688839 492573455 /nfs/dbraw/zinc/57/34/55/492573455.db2.gz QAYLFBIABQLDGC-AWEZNQCLSA-N 2 2 355.866 0.786 10 0 FCAELP C[NH+](C)CCN1CC[N@@H+](C[C@H](O)COc2ccccc2Cl)CC1=O ZINC000649688839 492573458 /nfs/dbraw/zinc/57/34/58/492573458.db2.gz QAYLFBIABQLDGC-AWEZNQCLSA-N 2 2 355.866 0.786 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656298099 492576375 /nfs/dbraw/zinc/57/63/75/492576375.db2.gz MACLUHDVFHAVIZ-NRKLIOEPSA-N 2 2 366.506 0.343 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656298099 492576379 /nfs/dbraw/zinc/57/63/79/492576379.db2.gz MACLUHDVFHAVIZ-NRKLIOEPSA-N 2 2 366.506 0.343 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656298099 492576383 /nfs/dbraw/zinc/57/63/83/492576383.db2.gz MACLUHDVFHAVIZ-NRKLIOEPSA-N 2 2 366.506 0.343 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656298099 492576385 /nfs/dbraw/zinc/57/63/85/492576385.db2.gz MACLUHDVFHAVIZ-NRKLIOEPSA-N 2 2 366.506 0.343 10 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/nfs/dbraw/zinc/63/01/83/492630183.db2.gz XBZOCEXLHPHLKY-IRXDYDNUSA-N 2 2 364.515 0.836 10 0 FCAELP C[NH+](CC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)[C@H]1CCSC1 ZINC000629439447 492630186 /nfs/dbraw/zinc/63/01/86/492630186.db2.gz XBZOCEXLHPHLKY-IRXDYDNUSA-N 2 2 364.515 0.836 10 0 FCAELP C[N@H+](CC(=O)NC[C@@H]1C[NH+](Cc2ccncc2)CCO1)[C@@H]1CCSC1 ZINC000629439445 492630562 /nfs/dbraw/zinc/63/05/62/492630562.db2.gz XBZOCEXLHPHLKY-IAGOWNOFSA-N 2 2 364.515 0.836 10 0 FCAELP C[N@@H+](CC(=O)NC[C@@H]1C[NH+](Cc2ccncc2)CCO1)[C@@H]1CCSC1 ZINC000629439445 492630565 /nfs/dbraw/zinc/63/05/65/492630565.db2.gz XBZOCEXLHPHLKY-IAGOWNOFSA-N 2 2 364.515 0.836 10 0 FCAELP C[NH+](CC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)[C@@H]1CCSC1 ZINC000629439445 492630570 /nfs/dbraw/zinc/63/05/70/492630570.db2.gz XBZOCEXLHPHLKY-IAGOWNOFSA-N 2 2 364.515 0.836 10 0 FCAELP C[NH+](CC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)[C@@H]1CCSC1 ZINC000629439445 492630572 /nfs/dbraw/zinc/63/05/72/492630572.db2.gz XBZOCEXLHPHLKY-IAGOWNOFSA-N 2 2 364.515 0.836 10 0 FCAELP O=C(NCC[NH+]1CCOCC1)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000656542532 492631545 /nfs/dbraw/zinc/63/15/45/492631545.db2.gz IJWIPFQEJNYWIS-SFHVURJKSA-N 2 2 362.474 0.385 10 0 FCAELP O=C(NCC[NH+]1CCOCC1)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000656542532 492631548 /nfs/dbraw/zinc/63/15/48/492631548.db2.gz IJWIPFQEJNYWIS-SFHVURJKSA-N 2 2 362.474 0.385 10 0 FCAELP COc1ncc(Br)cc1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000629593557 492657651 /nfs/dbraw/zinc/65/76/51/492657651.db2.gz QNXXODYJAXIZAU-AWEZNQCLSA-N 2 2 373.295 0.551 10 0 FCAELP COC[C@@H]1C[C@@H](O)CN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000650798169 492669113 /nfs/dbraw/zinc/66/91/13/492669113.db2.gz OXGRFSMUVAZZMM-DLBZAZTESA-N 2 2 354.495 0.336 10 0 FCAELP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)N(CC)CC[NH3+])CC2)s1 ZINC000629795773 492675992 /nfs/dbraw/zinc/67/59/92/492675992.db2.gz MQRXOLVBYGYSDQ-UHFFFAOYSA-N 2 2 352.504 0.762 10 0 FCAELP Cc1cccc2[nH+]c(CNC(=O)N3CCN(CC[NH+](C)C)C(=O)C3)cn21 ZINC000650863597 492677408 /nfs/dbraw/zinc/67/74/08/492677408.db2.gz VWXLGWFFHAWQQK-UHFFFAOYSA-N 2 2 358.446 0.558 10 0 FCAELP O=C(NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)N1CC[NH+]2CCC1CC2 ZINC000624938298 492699511 /nfs/dbraw/zinc/69/95/11/492699511.db2.gz ZUOODGBSHPIIBY-SFHVURJKSA-N 2 2 359.474 0.772 10 0 FCAELP O=C(NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)N1CC[NH+]2CCC1CC2 ZINC000624938298 492699516 /nfs/dbraw/zinc/69/95/16/492699516.db2.gz ZUOODGBSHPIIBY-SFHVURJKSA-N 2 2 359.474 0.772 10 0 FCAELP Cc1cc2c(cc1S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)OCO2 ZINC000657090599 492714357 /nfs/dbraw/zinc/71/43/57/492714357.db2.gz DPARBZRRGWLAFG-UHFFFAOYSA-N 2 2 357.476 0.886 10 0 FCAELP Cc1cc2c(cc1S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)OCO2 ZINC000657090599 492714360 /nfs/dbraw/zinc/71/43/60/492714360.db2.gz DPARBZRRGWLAFG-UHFFFAOYSA-N 2 2 357.476 0.886 10 0 FCAELP CC(C)C[N@H+](C)CCCNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000651193512 492720139 /nfs/dbraw/zinc/72/01/39/492720139.db2.gz ZACSCLSPEBAGDY-MRXNPFEDSA-N 2 2 367.538 0.959 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492749949 /nfs/dbraw/zinc/74/99/49/492749949.db2.gz OCGOKFQMKRSOAU-UHFFFAOYSA-N 2 2 364.498 0.146 10 0 FCAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000644646139 492796388 /nfs/dbraw/zinc/79/63/88/492796388.db2.gz PMXKDWGZJICIOW-ROUUACIJSA-N 2 2 369.531 0.883 10 0 FCAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000644646139 492796390 /nfs/dbraw/zinc/79/63/90/492796390.db2.gz PMXKDWGZJICIOW-ROUUACIJSA-N 2 2 369.531 0.883 10 0 FCAELP Cc1ccc(N2CCC(C(=O)N[C@H](CO)C[NH+]3CCOCC3)CC2)[nH+]c1 ZINC000644886064 492819913 /nfs/dbraw/zinc/81/99/13/492819913.db2.gz WCDAJLUXYORUCC-KRWDZBQOSA-N 2 2 362.474 0.416 10 0 FCAELP CCN1C(=O)CO[C@H](C(=O)N[C@H](C)CC[NH+](C)C)[C@H]1c1[nH+]ccn1C ZINC000625566914 492822718 /nfs/dbraw/zinc/82/27/18/492822718.db2.gz QXRZCFHZKYCBOC-SNPRPXQTSA-N 2 2 351.451 0.165 10 0 FCAELP Cc1cn2ccc(NC(=O)C(=O)NC[C@@H]3CCCC[N@@H+]3CCO)cc2[nH+]1 ZINC000657980295 492824906 /nfs/dbraw/zinc/82/49/06/492824906.db2.gz AVRSVJLQAMVJOJ-HNNXBMFYSA-N 2 2 359.430 0.544 10 0 FCAELP Cc1cn2ccc(NC(=O)C(=O)NC[C@@H]3CCCC[N@H+]3CCO)cc2[nH+]1 ZINC000657980295 492824909 /nfs/dbraw/zinc/82/49/09/492824909.db2.gz AVRSVJLQAMVJOJ-HNNXBMFYSA-N 2 2 359.430 0.544 10 0 FCAELP CCN1C(=O)CO[C@@H](C(=O)N[C@H](C)C[NH+](CC)CC)[C@@H]1c1[nH+]ccn1C ZINC000625576337 492825588 /nfs/dbraw/zinc/82/55/88/492825588.db2.gz GKUPBLMEFJORJM-FVQBIDKESA-N 2 2 365.478 0.555 10 0 FCAELP Cc1cn2ccc(NC(=O)C(=O)N3CN(CC[NH+](C)C)C(=O)[C@@H]3C)cc2[nH+]1 ZINC000658040247 492832670 /nfs/dbraw/zinc/83/26/70/492832670.db2.gz LXVVZKYFIAQMTM-ZDUSSCGKSA-N 2 2 372.429 0.160 10 0 FCAELP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000625626560 492846823 /nfs/dbraw/zinc/84/68/23/492846823.db2.gz XZUMYMLSGFODJI-GDBMZVCRSA-N 2 2 359.474 0.869 10 0 FCAELP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000625626560 492846827 /nfs/dbraw/zinc/84/68/27/492846827.db2.gz XZUMYMLSGFODJI-GDBMZVCRSA-N 2 2 359.474 0.869 10 0 FCAELP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNS(=O)(=O)C[C@H]2C[NH+](C)CCO2)C1 ZINC000631787924 492853371 /nfs/dbraw/zinc/85/33/71/492853371.db2.gz IYSJANQCZDAFTN-OWCLPIDISA-N 2 2 361.552 0.993 10 0 FCAELP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNS(=O)(=O)C[C@H]2C[NH+](C)CCO2)C1 ZINC000631787924 492853377 /nfs/dbraw/zinc/85/33/77/492853377.db2.gz IYSJANQCZDAFTN-OWCLPIDISA-N 2 2 361.552 0.993 10 0 FCAELP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)C1 ZINC000631787924 492853381 /nfs/dbraw/zinc/85/33/81/492853381.db2.gz IYSJANQCZDAFTN-OWCLPIDISA-N 2 2 361.552 0.993 10 0 FCAELP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)C1 ZINC000631787924 492853385 /nfs/dbraw/zinc/85/33/85/492853385.db2.gz IYSJANQCZDAFTN-OWCLPIDISA-N 2 2 361.552 0.993 10 0 FCAELP C[C@@H]1C[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@H]1C[NH3+] ZINC000631841097 492860013 /nfs/dbraw/zinc/86/00/13/492860013.db2.gz XXNASPQDDISLSR-IAGOWNOFSA-N 3 2 352.523 0.664 10 0 FCAELP C[C@@H]1C[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@H]1C[NH3+] ZINC000631841097 492860015 /nfs/dbraw/zinc/86/00/15/492860015.db2.gz XXNASPQDDISLSR-IAGOWNOFSA-N 3 2 352.523 0.664 10 0 FCAELP COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631885820 492869712 /nfs/dbraw/zinc/86/97/12/492869712.db2.gz FCYZUHLBKAFVOU-HOTGVXAUSA-N 2 2 374.485 0.978 10 0 FCAELP COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631885820 492869716 /nfs/dbraw/zinc/86/97/16/492869716.db2.gz FCYZUHLBKAFVOU-HOTGVXAUSA-N 2 2 374.485 0.978 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)C1 ZINC000631889310 492870726 /nfs/dbraw/zinc/87/07/26/492870726.db2.gz IGFKONVQCJPFTO-KURKYZTESA-N 3 2 352.523 0.533 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)C1 ZINC000631889310 492870727 /nfs/dbraw/zinc/87/07/27/492870727.db2.gz IGFKONVQCJPFTO-KURKYZTESA-N 3 2 352.523 0.533 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)C1 ZINC000631889310 492870729 /nfs/dbraw/zinc/87/07/29/492870729.db2.gz IGFKONVQCJPFTO-KURKYZTESA-N 3 2 352.523 0.533 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)C1 ZINC000631889310 492870730 /nfs/dbraw/zinc/87/07/30/492870730.db2.gz IGFKONVQCJPFTO-KURKYZTESA-N 3 2 352.523 0.533 10 0 FCAELP O=S(=O)(C[C@H]1C[NH2+]CCO1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000631914911 492880318 /nfs/dbraw/zinc/88/03/18/492880318.db2.gz BCHBVKXROXAWOD-CYBMUJFWSA-N 2 2 354.407 0.419 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)N1CCc2cc(F)c(F)cc21 ZINC000658425773 492884518 /nfs/dbraw/zinc/88/45/18/492884518.db2.gz DZGGZMUQBIEERM-UHFFFAOYSA-N 2 2 368.428 0.854 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)N1CCc2cc(F)c(F)cc21 ZINC000658425773 492884522 /nfs/dbraw/zinc/88/45/22/492884522.db2.gz DZGGZMUQBIEERM-UHFFFAOYSA-N 2 2 368.428 0.854 10 0 FCAELP Cc1cc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1C(N)=O ZINC000658426492 492884592 /nfs/dbraw/zinc/88/45/92/492884592.db2.gz HPOHMOCAIWZSTF-UHFFFAOYSA-N 2 2 363.462 0.032 10 0 FCAELP Cc1cc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1C(N)=O ZINC000658426492 492884597 /nfs/dbraw/zinc/88/45/97/492884597.db2.gz HPOHMOCAIWZSTF-UHFFFAOYSA-N 2 2 363.462 0.032 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc2c1OCCO2 ZINC000658426755 492885343 /nfs/dbraw/zinc/88/53/43/492885343.db2.gz JERFCQXHVRORLU-UHFFFAOYSA-N 2 2 364.446 0.396 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc2c1OCCO2 ZINC000658426755 492885344 /nfs/dbraw/zinc/88/53/44/492885344.db2.gz JERFCQXHVRORLU-UHFFFAOYSA-N 2 2 364.446 0.396 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000658429276 492886458 /nfs/dbraw/zinc/88/64/58/492886458.db2.gz VHAJZGVTKHRYSE-UHFFFAOYSA-N 2 2 373.461 0.410 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000658429276 492886461 /nfs/dbraw/zinc/88/64/61/492886461.db2.gz VHAJZGVTKHRYSE-UHFFFAOYSA-N 2 2 373.461 0.410 10 0 FCAELP [NH3+]C1CCC(OCC(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC000645366495 492898316 /nfs/dbraw/zinc/89/83/16/492898316.db2.gz SXNYTSHEVINRRY-UHFFFAOYSA-N 2 2 366.506 0.430 10 0 FCAELP [NH3+]C1CCC(OCC(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC000645366495 492898319 /nfs/dbraw/zinc/89/83/19/492898319.db2.gz SXNYTSHEVINRRY-UHFFFAOYSA-N 2 2 366.506 0.430 10 0 FCAELP O=S(=O)(C[C@H]1C[NH2+]CCO1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000631978515 492902112 /nfs/dbraw/zinc/90/21/12/492902112.db2.gz CEYVVLHDPAWTBM-CQSZACIVSA-N 2 2 372.516 0.043 10 0 FCAELP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000631978514 492902155 /nfs/dbraw/zinc/90/21/55/492902155.db2.gz CEYVVLHDPAWTBM-AWEZNQCLSA-N 2 2 372.516 0.043 10 0 FCAELP C[NH2+]Cc1ccccc1CNC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000652287735 492906601 /nfs/dbraw/zinc/90/66/01/492906601.db2.gz FTLLDDKAZQWJTM-UHFFFAOYSA-N 2 2 350.463 0.242 10 0 FCAELP C[N@@H+]1CCN(C(=O)NCCc2ccc3c(c2)OC(F)(F)O3)[C@@H](C[NH3+])C1 ZINC000652307626 492908877 /nfs/dbraw/zinc/90/88/77/492908877.db2.gz FDKGVZUOZQOISB-LBPRGKRZSA-N 2 2 356.373 0.835 10 0 FCAELP C[N@H+]1CCN(C(=O)NCCc2ccc3c(c2)OC(F)(F)O3)[C@@H](C[NH3+])C1 ZINC000652307626 492908880 /nfs/dbraw/zinc/90/88/80/492908880.db2.gz FDKGVZUOZQOISB-LBPRGKRZSA-N 2 2 356.373 0.835 10 0 FCAELP C[C@@H]1CCC[C@@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)O1 ZINC000658494931 492912902 /nfs/dbraw/zinc/91/29/02/492912902.db2.gz IPMUWMSUPLXWJR-WBVHZDCISA-N 2 2 368.522 0.545 10 0 FCAELP C[C@@H]1CCC[C@@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)O1 ZINC000658494931 492912904 /nfs/dbraw/zinc/91/29/04/492912904.db2.gz IPMUWMSUPLXWJR-WBVHZDCISA-N 2 2 368.522 0.545 10 0 FCAELP CCO[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C[C@H]1C[NH3+] ZINC000652356401 492914441 /nfs/dbraw/zinc/91/44/41/492914441.db2.gz HOSJTXYLCXPOQH-WOJBJXKFSA-N 3 2 374.529 0.935 10 0 FCAELP CCO[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C[C@H]1C[NH3+] ZINC000652356401 492914444 /nfs/dbraw/zinc/91/44/44/492914444.db2.gz HOSJTXYLCXPOQH-WOJBJXKFSA-N 3 2 374.529 0.935 10 0 FCAELP O=S(=O)(CCC[NH+]1CCCC1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000632046006 492918861 /nfs/dbraw/zinc/91/88/61/492918861.db2.gz XNFVPPWOWWHGIA-KRWDZBQOSA-N 2 2 359.536 0.989 10 0 FCAELP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N(C)CC2C[NH+](C)C2)C[C@@H](C)O1 ZINC000658516470 492924006 /nfs/dbraw/zinc/92/40/06/492924006.db2.gz XRWUXUKHNYGLAB-INMHGKMJSA-N 2 2 366.506 0.107 10 0 FCAELP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@]3(C)C[NH2+]CCO3)cc2)CC1 ZINC000638300108 492931022 /nfs/dbraw/zinc/93/10/22/492931022.db2.gz FGNQNFARIDAEPE-LJQANCHMSA-N 2 2 360.458 0.668 10 0 FCAELP CC[NH+](CC)CCN(C(=O)Cn1c[nH+]cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000626272782 492956068 /nfs/dbraw/zinc/95/60/68/492956068.db2.gz LTJRTYYOKHIXFQ-OAHLLOKOSA-N 2 2 356.492 0.549 10 0 FCAELP CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000652522761 492960810 /nfs/dbraw/zinc/96/08/10/492960810.db2.gz VPPYHZRBPJOJGB-QGZVFWFLSA-N 2 2 368.522 0.261 10 0 FCAELP CC(C)C[N@@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000652522761 492960813 /nfs/dbraw/zinc/96/08/13/492960813.db2.gz VPPYHZRBPJOJGB-QGZVFWFLSA-N 2 2 368.522 0.261 10 0 FCAELP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000658583423 492968235 /nfs/dbraw/zinc/96/82/35/492968235.db2.gz YEJSXGVJVCXGGJ-HOTGVXAUSA-N 2 2 366.506 0.299 10 0 FCAELP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000658583423 492968236 /nfs/dbraw/zinc/96/82/36/492968236.db2.gz YEJSXGVJVCXGGJ-HOTGVXAUSA-N 2 2 366.506 0.299 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCCc1ncn(C)n1 ZINC000645768652 492972929 /nfs/dbraw/zinc/97/29/29/492972929.db2.gz VTRGFVJBOVNVQG-UHFFFAOYSA-N 2 2 351.499 0.415 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCCc1ncn(C)n1 ZINC000645768652 492972934 /nfs/dbraw/zinc/97/29/34/492972934.db2.gz VTRGFVJBOVNVQG-UHFFFAOYSA-N 2 2 351.499 0.415 10 0 FCAELP [NH3+]CC1(CCNC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000652666964 492982521 /nfs/dbraw/zinc/98/25/21/492982521.db2.gz YYLVOFKWUXIIKM-QGZVFWFLSA-N 2 2 374.485 0.249 10 0 FCAELP [NH3+]CC1(CCNC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000652666964 492982525 /nfs/dbraw/zinc/98/25/25/492982525.db2.gz YYLVOFKWUXIIKM-QGZVFWFLSA-N 2 2 374.485 0.249 10 0 FCAELP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)CC1 ZINC000658674821 493003261 /nfs/dbraw/zinc/00/32/61/493003261.db2.gz SYVFWKLYCBVWGT-CQSZACIVSA-N 2 2 364.515 0.973 10 0 FCAELP CC[C@H](C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000652733958 493011555 /nfs/dbraw/zinc/01/15/55/493011555.db2.gz VHEIPNRBANVXME-JKSUJKDBSA-N 2 2 354.495 0.108 10 0 FCAELP CC[C@H](C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[N@H+]1CCO[C@@H](CC)C1 ZINC000652733958 493011558 /nfs/dbraw/zinc/01/15/58/493011558.db2.gz VHEIPNRBANVXME-JKSUJKDBSA-N 2 2 354.495 0.108 10 0 FCAELP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000646119960 493016703 /nfs/dbraw/zinc/01/67/03/493016703.db2.gz SPGTWXBMMUYDGR-OALUTQOASA-N 2 2 358.486 0.394 10 0 FCAELP O=C(NC[C@H]1C[N@H+]2CCN1CCC2)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000646119960 493016706 /nfs/dbraw/zinc/01/67/06/493016706.db2.gz SPGTWXBMMUYDGR-OALUTQOASA-N 2 2 358.486 0.394 10 0 FCAELP O=C(NC[C@H]1C[NH+]2CCN1CCC2)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646119960 493016710 /nfs/dbraw/zinc/01/67/10/493016710.db2.gz SPGTWXBMMUYDGR-OALUTQOASA-N 2 2 358.486 0.394 10 0 FCAELP O=C(NC[C@H]1C[NH+]2CCN1CCC2)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646119960 493016713 /nfs/dbraw/zinc/01/67/13/493016713.db2.gz SPGTWXBMMUYDGR-OALUTQOASA-N 2 2 358.486 0.394 10 0 FCAELP C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000652813876 493023762 /nfs/dbraw/zinc/02/37/62/493023762.db2.gz MWSSUBXXLIJPMK-FHWLQOOXSA-N 2 2 359.470 0.819 10 0 FCAELP C[N@H+]1CCO[C@H](C(=O)N2CCO[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000652813876 493023767 /nfs/dbraw/zinc/02/37/67/493023767.db2.gz MWSSUBXXLIJPMK-FHWLQOOXSA-N 2 2 359.470 0.819 10 0 FCAELP C[NH+]1CCO[C@H](C(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000652813876 493023768 /nfs/dbraw/zinc/02/37/68/493023768.db2.gz MWSSUBXXLIJPMK-FHWLQOOXSA-N 2 2 359.470 0.819 10 0 FCAELP C[NH+]1CCO[C@H](C(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000652813876 493023773 /nfs/dbraw/zinc/02/37/73/493023773.db2.gz MWSSUBXXLIJPMK-FHWLQOOXSA-N 2 2 359.470 0.819 10 0 FCAELP C[NH+](C)CCCS(=O)(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000632573500 493032644 /nfs/dbraw/zinc/03/26/44/493032644.db2.gz CKMYOFVGWUWBQW-GOSISDBHSA-N 2 2 368.547 0.674 10 0 FCAELP C[NH+](C)CCCS(=O)(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000632573500 493032649 /nfs/dbraw/zinc/03/26/49/493032649.db2.gz CKMYOFVGWUWBQW-GOSISDBHSA-N 2 2 368.547 0.674 10 0 FCAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000626909226 493059937 /nfs/dbraw/zinc/05/99/37/493059937.db2.gz ISCWOOCJZXUWGY-WMLDXEAASA-N 2 2 359.474 0.239 10 0 FCAELP C[NH2+]CCOCCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000626926257 493064796 /nfs/dbraw/zinc/06/47/96/493064796.db2.gz ZMPCHXHEMHSQIS-SFHVURJKSA-N 2 2 364.490 0.904 10 0 FCAELP C[C@@H]1CN(c2ccc(CNC(=O)N(C)CCOCC[NH3+])c[nH+]2)C[C@H](C)O1 ZINC000626931517 493066471 /nfs/dbraw/zinc/06/64/71/493066471.db2.gz HOGMFMNABKQXCP-GASCZTMLSA-N 2 2 365.478 0.812 10 0 FCAELP [NH3+]CCCOCCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000626937766 493067273 /nfs/dbraw/zinc/06/72/73/493067273.db2.gz YMZZFFSCYCYRCH-QGZVFWFLSA-N 2 2 350.463 0.725 10 0 FCAELP C[NH+](C)C1(CS(=O)(=O)N2CC[NH+](CCc3cnccn3)CC2)CC1 ZINC000632713006 493069136 /nfs/dbraw/zinc/06/91/36/493069136.db2.gz KCMZPEOVRINCQW-UHFFFAOYSA-N 2 2 353.492 0.061 10 0 FCAELP COc1ccc(C[NH+]2CCN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CC2)cc1F ZINC000653106241 493071010 /nfs/dbraw/zinc/07/10/10/493071010.db2.gz YGQHHLHYFDWCGW-KXBFYZLASA-N 2 2 363.433 0.715 10 0 FCAELP C[NH2+]CCOCCN(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000626988710 493075672 /nfs/dbraw/zinc/07/56/72/493075672.db2.gz KETJKEZAHWPRSN-UHFFFAOYSA-N 3 2 369.554 0.814 10 0 FCAELP CCN(C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000658830406 493076678 /nfs/dbraw/zinc/07/66/78/493076678.db2.gz SCXMHDFYLYHDOT-DLBZAZTESA-N 2 2 366.506 0.252 10 0 FCAELP CCN(C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000658830406 493076681 /nfs/dbraw/zinc/07/66/81/493076681.db2.gz SCXMHDFYLYHDOT-DLBZAZTESA-N 2 2 366.506 0.252 10 0 FCAELP C[C@@]1(CNC(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)CCC[NH2+]C1 ZINC000627085827 493086718 /nfs/dbraw/zinc/08/67/18/493086718.db2.gz XDFQUNFLJBULAH-IEBWSBKVSA-N 2 2 361.490 0.971 10 0 FCAELP C[C@@]1(CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)CCC[NH2+]C1 ZINC000627085827 493086723 /nfs/dbraw/zinc/08/67/23/493086723.db2.gz XDFQUNFLJBULAH-IEBWSBKVSA-N 2 2 361.490 0.971 10 0 FCAELP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000653260685 493086924 /nfs/dbraw/zinc/08/69/24/493086924.db2.gz JPIXSKNZSQQKAJ-ARFHVFGLSA-N 2 2 354.495 0.330 10 0 FCAELP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000653260685 493086926 /nfs/dbraw/zinc/08/69/26/493086926.db2.gz JPIXSKNZSQQKAJ-ARFHVFGLSA-N 2 2 354.495 0.330 10 0 FCAELP COCCOCC[NH+]1CCN(C(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000653275534 493088268 /nfs/dbraw/zinc/08/82/68/493088268.db2.gz HSKJULCXMOWWRA-FRQCXROJSA-N 2 2 369.506 0.326 10 0 FCAELP C[NH+](C)CCn1cc(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)cn1 ZINC000632794338 493090289 /nfs/dbraw/zinc/09/02/89/493090289.db2.gz KKKQEJVWENFYRO-UHFFFAOYSA-N 2 2 370.457 0.540 10 0 FCAELP C[NH+](C)CCn1cc(C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)cn1 ZINC000632794338 493090293 /nfs/dbraw/zinc/09/02/93/493090293.db2.gz KKKQEJVWENFYRO-UHFFFAOYSA-N 2 2 370.457 0.540 10 0 FCAELP [NH3+]C1(CNC(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)CCOCC1 ZINC000627146711 493096513 /nfs/dbraw/zinc/09/65/13/493096513.db2.gz CMBFYXOUANLADN-MRXNPFEDSA-N 2 2 363.462 0.090 10 0 FCAELP [NH3+]C1(CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)CCOCC1 ZINC000627146711 493096519 /nfs/dbraw/zinc/09/65/19/493096519.db2.gz CMBFYXOUANLADN-MRXNPFEDSA-N 2 2 363.462 0.090 10 0 FCAELP [NH3+]C1(CNC(=O)N2CC[NH+](CCOc3ccccc3)CC2)CCOCC1 ZINC000627156005 493098407 /nfs/dbraw/zinc/09/84/07/493098407.db2.gz PFUJHMZGLMNEGL-UHFFFAOYSA-N 2 2 362.474 0.901 10 0 FCAELP C[NH2+]CCOCCNC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000627177564 493101644 /nfs/dbraw/zinc/10/16/44/493101644.db2.gz JCQZYDCIZIPPLE-UHFFFAOYSA-N 2 2 350.463 0.758 10 0 FCAELP C[NH2+]CCOCCNC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000627178557 493101785 /nfs/dbraw/zinc/10/17/85/493101785.db2.gz XGOUPKSBFXGTAR-UHFFFAOYSA-N 2 2 360.462 0.398 10 0 FCAELP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627201147 493106701 /nfs/dbraw/zinc/10/67/01/493106701.db2.gz XTCLGYNNDUAJGI-OAGGEKHMSA-N 2 2 351.495 0.465 10 0 FCAELP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NC[C@H]1C[N@H+](Cc3ccncc3)CCO1)C2 ZINC000627224797 493109671 /nfs/dbraw/zinc/10/96/71/493109671.db2.gz OZXDNCPKMLYUJA-YSIASYRMSA-N 2 2 373.501 0.923 10 0 FCAELP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NC[C@H]1C[N@@H+](Cc3ccncc3)CCO1)C2 ZINC000627224797 493109674 /nfs/dbraw/zinc/10/96/74/493109674.db2.gz OZXDNCPKMLYUJA-YSIASYRMSA-N 2 2 373.501 0.923 10 0 FCAELP C[NH2+]CCOCCN(C)C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000627223464 493109965 /nfs/dbraw/zinc/10/99/65/493109965.db2.gz CNMHUWCDTOBNFC-QGZVFWFLSA-N 2 2 365.478 0.160 10 0 FCAELP C[NH2+]CCOCCN(C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000627223464 493109966 /nfs/dbraw/zinc/10/99/66/493109966.db2.gz CNMHUWCDTOBNFC-QGZVFWFLSA-N 2 2 365.478 0.160 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000633082323 493117390 /nfs/dbraw/zinc/11/73/90/493117390.db2.gz POHWPERSHYEGAB-MRXNPFEDSA-N 3 2 367.538 0.201 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000633082323 493117396 /nfs/dbraw/zinc/11/73/96/493117396.db2.gz POHWPERSHYEGAB-MRXNPFEDSA-N 3 2 367.538 0.201 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000633082322 493117783 /nfs/dbraw/zinc/11/77/83/493117783.db2.gz POHWPERSHYEGAB-INIZCTEOSA-N 3 2 367.538 0.201 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000633082322 493117786 /nfs/dbraw/zinc/11/77/86/493117786.db2.gz POHWPERSHYEGAB-INIZCTEOSA-N 3 2 367.538 0.201 10 0 FCAELP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000633104190 493126970 /nfs/dbraw/zinc/12/69/70/493126970.db2.gz WOYNPANBDBLNRK-HRCADAONSA-N 2 2 371.485 0.888 10 0 FCAELP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000653414446 493127206 /nfs/dbraw/zinc/12/72/06/493127206.db2.gz TUGYQTRWSNEULK-MRXNPFEDSA-N 2 2 361.490 0.871 10 0 FCAELP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000653414446 493127208 /nfs/dbraw/zinc/12/72/08/493127208.db2.gz TUGYQTRWSNEULK-MRXNPFEDSA-N 2 2 361.490 0.871 10 0 FCAELP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000659024485 493127320 /nfs/dbraw/zinc/12/73/20/493127320.db2.gz DUPQOAQCIHZEKP-LSDHHAIUSA-N 2 2 373.423 0.991 10 0 FCAELP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000659024485 493127321 /nfs/dbraw/zinc/12/73/21/493127321.db2.gz DUPQOAQCIHZEKP-LSDHHAIUSA-N 2 2 373.423 0.991 10 0 FCAELP C[N@@H+]1C[C@@H]2CCN(C(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)[C@@H]2C1 ZINC000646937601 493129065 /nfs/dbraw/zinc/12/90/65/493129065.db2.gz OTTGMDUMIFTMKK-DLBZAZTESA-N 2 2 371.485 0.673 10 0 FCAELP C[N@H+]1C[C@@H]2CCN(C(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)[C@@H]2C1 ZINC000646937601 493129070 /nfs/dbraw/zinc/12/90/70/493129070.db2.gz OTTGMDUMIFTMKK-DLBZAZTESA-N 2 2 371.485 0.673 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)cc1 ZINC000627297483 493140369 /nfs/dbraw/zinc/14/03/69/493140369.db2.gz KSYFSNVZMVQYJI-KFWWJZLASA-N 2 2 350.850 0.680 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)cc1 ZINC000627297483 493140370 /nfs/dbraw/zinc/14/03/70/493140370.db2.gz KSYFSNVZMVQYJI-KFWWJZLASA-N 2 2 350.850 0.680 10 0 FCAELP C[C@@H]1CC[C@H](NC(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C[NH2+]1 ZINC000627301977 493142689 /nfs/dbraw/zinc/14/26/89/493142689.db2.gz UOIUERJBGQOCRK-QAPCUYQASA-N 2 2 374.485 0.392 10 0 FCAELP O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000627313119 493147510 /nfs/dbraw/zinc/14/75/10/493147510.db2.gz VXFDWYQOFSHUBY-OAGGEKHMSA-N 2 2 364.490 0.147 10 0 FCAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000627317231 493149398 /nfs/dbraw/zinc/14/93/98/493149398.db2.gz IYHRCDWJGRGMAC-GLQYFDAESA-N 2 2 359.405 0.631 10 0 FCAELP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C[NH2+]1 ZINC000627344338 493164596 /nfs/dbraw/zinc/16/45/96/493164596.db2.gz CBWPRJZTJZBGRP-GDBMZVCRSA-N 2 2 359.474 0.945 10 0 FCAELP C[NH+](C)CCN1CCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1=O ZINC000633564825 493166827 /nfs/dbraw/zinc/16/68/27/493166827.db2.gz AFMKUJLUSARMPI-UHFFFAOYSA-N 2 2 355.442 0.647 10 0 FCAELP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)CO1 ZINC000647206142 493177681 /nfs/dbraw/zinc/17/76/81/493177681.db2.gz JBYITCWTIODCHH-OWCLPIDISA-N 2 2 361.490 0.600 10 0 FCAELP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000627378481 493188176 /nfs/dbraw/zinc/18/81/76/493188176.db2.gz MWAGZLATJWWBNS-LLVKDONJSA-N 2 2 361.368 0.518 10 0 FCAELP CN(C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000659364707 493198108 /nfs/dbraw/zinc/19/81/08/493198108.db2.gz OLNUQHHBKXVLHJ-DLBZAZTESA-N 2 2 364.490 0.005 10 0 FCAELP CN(C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000659364707 493198113 /nfs/dbraw/zinc/19/81/13/493198113.db2.gz OLNUQHHBKXVLHJ-DLBZAZTESA-N 2 2 364.490 0.005 10 0 FCAELP C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000653995378 493201672 /nfs/dbraw/zinc/20/16/72/493201672.db2.gz RMVFDMSMXJZGEH-GASCZTMLSA-N 2 2 350.467 0.677 10 0 FCAELP Cc1cc(NCCNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)nc(C(C)C)[nH+]1 ZINC000627403239 493204013 /nfs/dbraw/zinc/20/40/13/493204013.db2.gz BVSMRBLVEWLZFD-CQSZACIVSA-N 2 2 362.478 0.695 10 0 FCAELP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000672594166 493211585 /nfs/dbraw/zinc/21/15/85/493211585.db2.gz LTAJIZLHQAXUIY-ZACQAIPSSA-N 2 2 366.506 0.299 10 0 FCAELP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC[N@H+]1C ZINC000672594166 493211588 /nfs/dbraw/zinc/21/15/88/493211588.db2.gz LTAJIZLHQAXUIY-ZACQAIPSSA-N 2 2 366.506 0.299 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@H](OC(F)F)C3)C2)CC1 ZINC000672637432 493219599 /nfs/dbraw/zinc/21/95/99/493219599.db2.gz GZXYSCUMTCXMLW-OCCSQVGLSA-N 2 2 374.432 0.111 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@H](OC(F)F)C3)C2)CC1 ZINC000672637432 493219603 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ZINC000916801620 667029595 /nfs/dbraw/zinc/02/95/95/667029595.db2.gz SMKLSWOYGFQDFG-NXOAAHMSSA-N 2 2 359.536 0.889 10 0 FCAELP C[C@@H](CNS(=O)(=O)C[C@@]12CC[NH+](C1)CCC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000916801620 667029599 /nfs/dbraw/zinc/02/95/99/667029599.db2.gz SMKLSWOYGFQDFG-NXOAAHMSSA-N 2 2 359.536 0.889 10 0 FCAELP C[C@@H](CNS(=O)(=O)C[C@@]12CC[NH+](C1)CCC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000916801620 667029603 /nfs/dbraw/zinc/02/96/03/667029603.db2.gz SMKLSWOYGFQDFG-NXOAAHMSSA-N 2 2 359.536 0.889 10 0 FCAELP O=S(=O)([C@H]1CCC[NH2+]C1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000923599043 667063299 /nfs/dbraw/zinc/06/32/99/667063299.db2.gz ZIIPXONKKRQRBN-ZDUSSCGKSA-N 2 2 373.441 0.655 10 0 FCAELP O=C1C[C@H]([NH2+][C@H](C2CC2)[C@H]2CCCOC2)CN1CC[NH+]1CCOCC1 ZINC000925450909 667116893 /nfs/dbraw/zinc/11/68/93/667116893.db2.gz RUKMHLXWWWXFHD-JENIJYKNSA-N 2 2 351.491 0.714 10 0 FCAELP CN1C[C@@H](CCNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000918912404 667141016 /nfs/dbraw/zinc/14/10/16/667141016.db2.gz GGHRHMYQKYBWSG-GJZGRUSLSA-N 2 2 351.495 0.323 10 0 FCAELP CN1C[C@@H](CCNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000918912404 667141018 /nfs/dbraw/zinc/14/10/18/667141018.db2.gz GGHRHMYQKYBWSG-GJZGRUSLSA-N 2 2 351.495 0.323 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@H](O)C(F)(F)F)CC2)CC1 ZINC000051758780 667197913 /nfs/dbraw/zinc/19/79/13/667197913.db2.gz CHGQTWQGKQNMFL-ZDUSSCGKSA-N 2 2 352.401 0.767 10 0 FCAELP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@H+](C)[C@H](C)C3)C2)CC[NH+]1C ZINC000839693731 667719805 /nfs/dbraw/zinc/71/98/05/667719805.db2.gz QOEMXBRTAVVLQU-VQHPVUNQSA-N 2 2 350.507 0.728 10 0 FCAELP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@@H+](C)[C@H](C)C3)C2)CC[NH+]1C ZINC000839693731 667719807 /nfs/dbraw/zinc/71/98/07/667719807.db2.gz QOEMXBRTAVVLQU-VQHPVUNQSA-N 2 2 350.507 0.728 10 0 FCAELP C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@H+](C)[C@H](C)C3)C2)CC[NH+]1C ZINC000839693731 667719809 /nfs/dbraw/zinc/71/98/09/667719809.db2.gz QOEMXBRTAVVLQU-VQHPVUNQSA-N 2 2 350.507 0.728 10 0 FCAELP C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@@H+](C)[C@H](C)C3)C2)CC[NH+]1C ZINC000839693731 667719812 /nfs/dbraw/zinc/71/98/12/667719812.db2.gz QOEMXBRTAVVLQU-VQHPVUNQSA-N 2 2 350.507 0.728 10 0 FCAELP CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+][C@@H]2CC[NH2+]C23CCC3)CCC1 ZINC000923397123 667831328 /nfs/dbraw/zinc/83/13/28/667831328.db2.gz AFFUAJNNBAWKLA-KGLIPLIRSA-N 2 2 359.536 0.862 10 0 FCAELP [NH3+][C@]1(CO)CCCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000923478586 667840109 /nfs/dbraw/zinc/84/01/09/667840109.db2.gz RNJUONDFCGGJPE-QGZVFWFLSA-N 2 2 352.504 0.178 10 0 FCAELP C[C@@H]1C[N@H+](CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)CC[C@H]1C[NH3+] ZINC000923499145 667841574 /nfs/dbraw/zinc/84/15/74/667841574.db2.gz KKOSSPHXBYMEDO-HLLBOEOZSA-N 2 2 371.547 0.861 10 0 FCAELP C[C@@H]1C[N@@H+](CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)CC[C@H]1C[NH3+] ZINC000923499145 667841576 /nfs/dbraw/zinc/84/15/76/667841576.db2.gz KKOSSPHXBYMEDO-HLLBOEOZSA-N 2 2 371.547 0.861 10 0 FCAELP CN(C(=O)[C@@H]1COC(=O)N1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000827685697 669590474 /nfs/dbraw/zinc/59/04/74/669590474.db2.gz ROBGVATWKZXACN-XHSDSOJGSA-N 2 2 352.479 0.890 10 0 FCAELP CN(C(=O)[C@@H]1COC(=O)N1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000827685697 669590482 /nfs/dbraw/zinc/59/04/82/669590482.db2.gz ROBGVATWKZXACN-XHSDSOJGSA-N 2 2 352.479 0.890 10 0 FCAELP CN(C)C(=O)O[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000830574341 669794450 /nfs/dbraw/zinc/79/44/50/669794450.db2.gz PJXMUTQREPWDGD-MRXNPFEDSA-N 2 2 352.479 0.892 10 0 FCAELP CN(C)C(=O)O[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000830574341 669794454 /nfs/dbraw/zinc/79/44/54/669794454.db2.gz PJXMUTQREPWDGD-MRXNPFEDSA-N 2 2 352.479 0.892 10 0 FCAELP Cc1cc(Cl)ncc1NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000850595983 671388658 /nfs/dbraw/zinc/38/86/58/671388658.db2.gz KANLWERKNKOFBG-UHFFFAOYSA-N 2 2 355.870 0.982 10 0 FCAELP Cc1cc(Cl)ncc1NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000850595983 671388663 /nfs/dbraw/zinc/38/86/63/671388663.db2.gz KANLWERKNKOFBG-UHFFFAOYSA-N 2 2 355.870 0.982 10 0 FCAELP CCOC(=O)[C@@]1(F)C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CC12CCC2 ZINC000852318382 671501369 /nfs/dbraw/zinc/50/13/69/671501369.db2.gz YMOKJXJFYSYVGC-SFHVURJKSA-N 2 2 355.454 0.908 10 0 FCAELP CCOC(=O)[C@@]1(F)C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CC12CCC2 ZINC000852318382 671501372 /nfs/dbraw/zinc/50/13/72/671501372.db2.gz YMOKJXJFYSYVGC-SFHVURJKSA-N 2 2 355.454 0.908 10 0 FCAELP Cc1cc([C@@H]([NH3+])CC(=O)NC[C@@H]2CN3CC[N@@H+]2CCC3)cc(Cl)n1 ZINC000852914268 671531785 /nfs/dbraw/zinc/53/17/85/671531785.db2.gz RIYROAUACAWPNF-CABCVRRESA-N 2 2 351.882 0.939 10 0 FCAELP Cc1cc([C@@H]([NH3+])CC(=O)NC[C@@H]2CN3CC[N@H+]2CCC3)cc(Cl)n1 ZINC000852914268 671531787 /nfs/dbraw/zinc/53/17/87/671531787.db2.gz RIYROAUACAWPNF-CABCVRRESA-N 2 2 351.882 0.939 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC000854005250 671563642 /nfs/dbraw/zinc/56/36/42/671563642.db2.gz QWTHZSPYKRKAAX-JTQLQIEISA-N 2 2 365.404 0.895 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC000854005250 671563643 /nfs/dbraw/zinc/56/36/43/671563643.db2.gz QWTHZSPYKRKAAX-JTQLQIEISA-N 2 2 365.404 0.895 10 0 FCAELP O=c1[nH]cc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)s1 ZINC000903562835 675945313 /nfs/dbraw/zinc/94/53/13/675945313.db2.gz WFJFFBFDUZEONY-TXEJJXNPSA-N 2 2 358.489 0.438 10 0 FCAELP O=c1[nH]cc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)s1 ZINC000903562835 675945315 /nfs/dbraw/zinc/94/53/15/675945315.db2.gz WFJFFBFDUZEONY-TXEJJXNPSA-N 2 2 358.489 0.438 10 0 FCAELP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C2 ZINC000861576906 671973325 /nfs/dbraw/zinc/97/33/25/671973325.db2.gz WCGBZYWERPTWGZ-CALCHBBNSA-N 2 2 372.535 0.136 10 0 FCAELP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)C[C@H]1C(F)(F)F ZINC000903731246 675964767 /nfs/dbraw/zinc/96/47/67/675964767.db2.gz AYDZDDGPYJDFHS-VXGBXAGGSA-N 2 2 359.352 0.395 10 0 FCAELP CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@]1(CO)COCC2(CCC2)[NH+]1C ZINC000863210942 672104611 /nfs/dbraw/zinc/10/46/11/672104611.db2.gz SPDXYCPWYXCLOT-YJBOKZPZSA-N 2 2 370.563 0.551 10 0 FCAELP CC[N@H+]1CCC[C@H]1CNC(=S)NC[C@]1(CO)COCC2(CCC2)[NH+]1C ZINC000863210942 672104615 /nfs/dbraw/zinc/10/46/15/672104615.db2.gz SPDXYCPWYXCLOT-YJBOKZPZSA-N 2 2 370.563 0.551 10 0 FCAELP CC[NH+]1CCC[C@H]1CNC(=S)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000863210942 672104621 /nfs/dbraw/zinc/10/46/21/672104621.db2.gz SPDXYCPWYXCLOT-YJBOKZPZSA-N 2 2 370.563 0.551 10 0 FCAELP CC[NH+]1CCC[C@H]1CNC(=S)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000863210942 672104628 /nfs/dbraw/zinc/10/46/28/672104628.db2.gz SPDXYCPWYXCLOT-YJBOKZPZSA-N 2 2 370.563 0.551 10 0 FCAELP OCC[N@H+](CCOCC(F)(F)F)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903892751 675980947 /nfs/dbraw/zinc/98/09/47/675980947.db2.gz MHVAJUBAVRTQJK-LBPRGKRZSA-N 2 2 351.373 0.576 10 0 FCAELP OCC[N@@H+](CCOCC(F)(F)F)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903892751 675980950 /nfs/dbraw/zinc/98/09/50/675980950.db2.gz MHVAJUBAVRTQJK-LBPRGKRZSA-N 2 2 351.373 0.576 10 0 FCAELP CCS(=O)(=O)N(C)C1CC[NH+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903903494 675981203 /nfs/dbraw/zinc/98/12/03/675981203.db2.gz LLYBRKWYUXCQFE-OAHLLOKOSA-N 2 2 370.523 0.449 10 0 FCAELP COCCC[N@H+](C[C@@H](C[NH3+])Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000903905190 675981493 /nfs/dbraw/zinc/98/14/93/675981493.db2.gz AJTXAIHHHHNLFI-WBVHZDCISA-N 2 2 372.535 0.372 10 0 FCAELP COCCC[N@@H+](C[C@@H](C[NH3+])Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000903905190 675981494 /nfs/dbraw/zinc/98/14/94/675981494.db2.gz AJTXAIHHHHNLFI-WBVHZDCISA-N 2 2 372.535 0.372 10 0 FCAELP COCCC[N@H+](C[C@@H](C[NH3+])Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000903905188 675981525 /nfs/dbraw/zinc/98/15/25/675981525.db2.gz AJTXAIHHHHNLFI-NVXWUHKLSA-N 2 2 372.535 0.372 10 0 FCAELP COCCC[N@@H+](C[C@@H](C[NH3+])Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000903905188 675981526 /nfs/dbraw/zinc/98/15/26/675981526.db2.gz AJTXAIHHHHNLFI-NVXWUHKLSA-N 2 2 372.535 0.372 10 0 FCAELP Cc1c(C[C@H](C[NH3+])C[N@@H+]2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)cnn1C ZINC000903937541 675983911 /nfs/dbraw/zinc/98/39/11/675983911.db2.gz MWWINBPEAICELA-OIISXLGYSA-N 2 2 354.520 0.603 10 0 FCAELP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)cnn1C ZINC000903937541 675983913 /nfs/dbraw/zinc/98/39/13/675983913.db2.gz MWWINBPEAICELA-OIISXLGYSA-N 2 2 354.520 0.603 10 0 FCAELP CC(C)(C)S(=O)(=O)CCC[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872145528 672594146 /nfs/dbraw/zinc/59/41/46/672594146.db2.gz SUZINRCSXQLNJL-CABCVRRESA-N 2 2 373.519 0.847 10 0 FCAELP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000872148088 672594450 /nfs/dbraw/zinc/59/44/50/672594450.db2.gz HRIVVJSLCOVLAP-CYZMBNFOSA-N 2 2 350.385 0.135 10 0 FCAELP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000872148088 672594455 /nfs/dbraw/zinc/59/44/55/672594455.db2.gz HRIVVJSLCOVLAP-CYZMBNFOSA-N 2 2 350.385 0.135 10 0 FCAELP COC(=O)CCN1CCC[C@H]([N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1=O ZINC000872149814 672594670 /nfs/dbraw/zinc/59/46/70/672594670.db2.gz QNRBYISIDOMTLM-SRVKXCTJSA-N 2 2 351.369 0.610 10 0 FCAELP COC(=O)CCN1CCC[C@H]([N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1=O ZINC000872149814 672594673 /nfs/dbraw/zinc/59/46/73/672594673.db2.gz QNRBYISIDOMTLM-SRVKXCTJSA-N 2 2 351.369 0.610 10 0 FCAELP C[C@H]1CN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC[C@@H]1C[NH3+] ZINC000926050909 673809898 /nfs/dbraw/zinc/80/98/98/673809898.db2.gz PTFMASKJSRQHLL-LSDHHAIUSA-N 2 2 350.467 0.664 10 0 FCAELP CCO[C@@H](CNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)C[NH+](C)C ZINC000926838866 673844430 /nfs/dbraw/zinc/84/44/30/673844430.db2.gz WBQJHDOGXSKIPT-SJORKVTESA-N 2 2 356.511 0.849 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)NCC2([NH+](C)C)CCCC2)n1 ZINC000929163211 673941510 /nfs/dbraw/zinc/94/15/10/673941510.db2.gz AEGMUYNVAFIEGM-UHFFFAOYSA-N 2 2 367.519 0.812 10 0 FCAELP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H]3CCN(OC)C3=O)CC2)CC1 ZINC000929608848 673967004 /nfs/dbraw/zinc/96/70/04/673967004.db2.gz DVJYMHLEKLNJFL-INIZCTEOSA-N 2 2 352.479 0.415 10 0 FCAELP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1c(O)nc[nH]c1=O ZINC000900480733 675686820 /nfs/dbraw/zinc/68/68/20/675686820.db2.gz JAPXOAODOHXUKY-ZDUSSCGKSA-N 2 2 351.451 0.305 10 0 FCAELP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1c(O)nc[nH]c1=O ZINC000900480733 675686823 /nfs/dbraw/zinc/68/68/23/675686823.db2.gz JAPXOAODOHXUKY-ZDUSSCGKSA-N 2 2 351.451 0.305 10 0 FCAELP C/C(=C/C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1)C[NH+]1CCOCC1 ZINC000901077510 675750623 /nfs/dbraw/zinc/75/06/23/675750623.db2.gz NPYGOVILDGHRIN-DNKLCNGGSA-N 2 2 351.491 0.978 10 0 FCAELP C/C(=C/C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1)C[NH+]1CCOCC1 ZINC000901077512 675750732 /nfs/dbraw/zinc/75/07/32/675750732.db2.gz NPYGOVILDGHRIN-HGLWPWQMSA-N 2 2 351.491 0.978 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nnc(C3CC3)o2)CC[N@@H+]1C ZINC001482731833 1192375128 /nfs/dbraw/zinc/37/51/28/1192375128.db2.gz ZJXNGDFCFRHNPI-MELADBBJSA-N 2 2 351.451 0.244 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nnc(C3CC3)o2)CC[N@H+]1C ZINC001482731833 1192375130 /nfs/dbraw/zinc/37/51/30/1192375130.db2.gz ZJXNGDFCFRHNPI-MELADBBJSA-N 2 2 351.451 0.244 10 0 FCAELP CC(C)NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001266760748 1170392874 /nfs/dbraw/zinc/39/28/74/1170392874.db2.gz LWRFLFDQILHBEV-BZUAXINKSA-N 2 2 361.490 0.876 10 0 FCAELP CC(C)NC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001266760748 1170392882 /nfs/dbraw/zinc/39/28/82/1170392882.db2.gz LWRFLFDQILHBEV-BZUAXINKSA-N 2 2 361.490 0.876 10 0 FCAELP CCN(CC[NH2+]CC[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001482930779 1192435532 /nfs/dbraw/zinc/43/55/32/1192435532.db2.gz VEELRFKDCMJKEF-RBSFLKMASA-N 2 2 368.503 0.776 10 0 FCAELP CCN(CC[NH2+]CC[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001482930779 1192435536 /nfs/dbraw/zinc/43/55/36/1192435536.db2.gz VEELRFKDCMJKEF-RBSFLKMASA-N 2 2 368.503 0.776 10 0 FCAELP CC(C)OCC[NH+]1CC(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001267687125 1182869180 /nfs/dbraw/zinc/86/91/80/1182869180.db2.gz XHFUSWRAHHRNNV-MSOLQXFVSA-N 2 2 369.506 0.339 10 0 FCAELP CC[N@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH+]cn1C)C2 ZINC001719855098 1186484721 /nfs/dbraw/zinc/48/47/21/1186484721.db2.gz VUCPUCZDCNQGFP-PVAVHDDUSA-N 2 2 361.490 0.943 10 0 FCAELP CC[N@@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH+]cn1C)C2 ZINC001719855098 1186484725 /nfs/dbraw/zinc/48/47/25/1186484725.db2.gz VUCPUCZDCNQGFP-PVAVHDDUSA-N 2 2 361.490 0.943 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]Cc2nc(-c3ccncn3)no2)CC[N@@H+]1C ZINC001268541676 1187584746 /nfs/dbraw/zinc/58/47/46/1187584746.db2.gz HHKXDNCPVQMUBZ-JHZNUDOXSA-N 2 2 371.445 0.629 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]Cc2nc(-c3ccncn3)no2)CC[N@H+]1C ZINC001268541676 1187584751 /nfs/dbraw/zinc/58/47/51/1187584751.db2.gz HHKXDNCPVQMUBZ-JHZNUDOXSA-N 2 2 371.445 0.629 10 0 FCAELP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000549920084 1187645818 /nfs/dbraw/zinc/64/58/18/1187645818.db2.gz HMWSUFSYJVLSQB-UHFFFAOYSA-N 2 2 372.429 0.142 10 0 FCAELP CC(C)NC(=O)NCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001268744696 1187768214 /nfs/dbraw/zinc/76/82/14/1187768214.db2.gz AAEBHAJGZJTNCY-RRFJBIMHSA-N 2 2 364.494 0.668 10 0 FCAELP CC(C)NC(=O)NCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001268744696 1187768218 /nfs/dbraw/zinc/76/82/18/1187768218.db2.gz AAEBHAJGZJTNCY-RRFJBIMHSA-N 2 2 364.494 0.668 10 0 FCAELP C[C@H](C[NH2+]CCN1C(=O)CCC1=O)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001482334132 1188321306 /nfs/dbraw/zinc/32/13/06/1188321306.db2.gz MYTMXCFHNMENCO-MGPQQGTHSA-N 2 2 361.446 0.109 10 0 FCAELP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895773605 1189882387 /nfs/dbraw/zinc/88/23/87/1189882387.db2.gz DYLFKKHGXCNCMA-LJQANCHMSA-N 2 2 359.470 0.856 10 0 FCAELP CCCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001271166828 1190049670 /nfs/dbraw/zinc/04/96/70/1190049670.db2.gz GXAZWQHKZKYVGZ-AOIWGVFYSA-N 2 2 369.506 0.219 10 0 FCAELP CCCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001271166828 1190049677 /nfs/dbraw/zinc/04/96/77/1190049677.db2.gz GXAZWQHKZKYVGZ-AOIWGVFYSA-N 2 2 369.506 0.219 10 0 FCAELP Cn1c[nH+]cc1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001719904961 1190881867 /nfs/dbraw/zinc/88/18/67/1190881867.db2.gz ZRCROUDUIUAFHP-BMFZPTHFSA-N 2 2 359.474 0.695 10 0 FCAELP CN(C(=O)C1(C(F)F)CC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000843790735 1191224928 /nfs/dbraw/zinc/22/49/28/1191224928.db2.gz FXLRLGKTCPUMDI-UHFFFAOYSA-N 2 2 372.460 0.729 10 0 FCAELP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000552707284 1193948462 /nfs/dbraw/zinc/94/84/62/1193948462.db2.gz CQCCISAIGQTLGA-OAHLLOKOSA-N 2 2 359.430 0.842 10 0 FCAELP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000552769028 1193950458 /nfs/dbraw/zinc/95/04/58/1193950458.db2.gz YJSMDZOZRSEBMI-PCKAHOCUSA-N 2 2 361.490 0.973 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC000553040702 1193966930 /nfs/dbraw/zinc/96/69/30/1193966930.db2.gz LUYUSWGFZNCJQS-RDJZCZTQSA-N 2 2 366.506 0.299 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)[N@@H+](C)C1CC1 ZINC000553040702 1193966942 /nfs/dbraw/zinc/96/69/42/1193966942.db2.gz LUYUSWGFZNCJQS-RDJZCZTQSA-N 2 2 366.506 0.299 10 0 FCAELP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000553174020 1193976633 /nfs/dbraw/zinc/97/66/33/1193976633.db2.gz GZUKSVMBGQZUIT-SFHVURJKSA-N 2 2 370.497 0.931 10 0 FCAELP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000553174020 1193976642 /nfs/dbraw/zinc/97/66/42/1193976642.db2.gz GZUKSVMBGQZUIT-SFHVURJKSA-N 2 2 370.497 0.931 10 0 FCAELP C[N@@H+]1CCC[C@@](O)(CC(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3Cc2ccccc2)C1 ZINC000912305141 1196338639 /nfs/dbraw/zinc/33/86/39/1196338639.db2.gz RUJQNKQEMZDMSW-SVFBPWRDSA-N 2 2 373.497 0.945 10 0 FCAELP C[N@H+]1CCC[C@@](O)(CC(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3Cc2ccccc2)C1 ZINC000912305141 1196338644 /nfs/dbraw/zinc/33/86/44/1196338644.db2.gz RUJQNKQEMZDMSW-SVFBPWRDSA-N 2 2 373.497 0.945 10 0 FCAELP C[NH+]1CCC[C@@](O)(CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)C1 ZINC000912305141 1196338648 /nfs/dbraw/zinc/33/86/48/1196338648.db2.gz RUJQNKQEMZDMSW-SVFBPWRDSA-N 2 2 373.497 0.945 10 0 FCAELP C[NH+]1CCC[C@@](O)(CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)C1 ZINC000912305141 1196338654 /nfs/dbraw/zinc/33/86/54/1196338654.db2.gz RUJQNKQEMZDMSW-SVFBPWRDSA-N 2 2 373.497 0.945 10 0 FCAELP C[N@@H+]1CCc2[nH]c3ccc(C(=O)NC[C@]4(CO)COCC[NH2+]4)cc3c2C1 ZINC000913181991 1196402308 /nfs/dbraw/zinc/40/23/08/1196402308.db2.gz SMRCQRHZRZEDRS-IBGZPJMESA-N 2 2 358.442 0.237 10 0 FCAELP C[N@H+]1CCc2[nH]c3ccc(C(=O)NC[C@]4(CO)COCC[NH2+]4)cc3c2C1 ZINC000913181991 1196402315 /nfs/dbraw/zinc/40/23/15/1196402315.db2.gz SMRCQRHZRZEDRS-IBGZPJMESA-N 2 2 358.442 0.237 10 0 FCAELP C[C@H]1CN(C(=O)C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000171931763 1196833731 /nfs/dbraw/zinc/83/37/31/1196833731.db2.gz JBPCKCKBNYPTNJ-INIZCTEOSA-N 2 2 366.506 0.110 10 0 FCAELP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](CCCCCO)CC2)C1 ZINC000913688827 1197112825 /nfs/dbraw/zinc/11/28/25/1197112825.db2.gz NHYMEQQPXOHPHD-QGZVFWFLSA-N 2 2 369.506 0.568 10 0 FCAELP Cn1cc(C[NH2+]CC[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)nn1 ZINC001272573231 1197504691 /nfs/dbraw/zinc/50/46/91/1197504691.db2.gz APYXSHHCNAKYSE-NUEKZKHPSA-N 2 2 357.462 0.681 10 0 FCAELP COc1c[nH+]ccc1N1CCN(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000792955814 1201220709 /nfs/dbraw/zinc/22/07/09/1201220709.db2.gz JBVUYWVMLRZDRC-HNNXBMFYSA-N 2 2 363.462 0.643 10 0 FCAELP COc1c[nH+]ccc1N1CCN(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000792955814 1201220713 /nfs/dbraw/zinc/22/07/13/1201220713.db2.gz JBVUYWVMLRZDRC-HNNXBMFYSA-N 2 2 363.462 0.643 10 0 FCAELP CCO[C@@H]1CN(C(=O)C(=O)NCc2[nH+]cc(C)c(OC)c2C)C[C@H]1C[NH3+] ZINC000846329162 1204614798 /nfs/dbraw/zinc/61/47/98/1204614798.db2.gz DJEMKVVFRRAWEG-UKRRQHHQSA-N 2 2 364.446 0.145 10 0 FCAELP CCCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001488942749 1208580637 /nfs/dbraw/zinc/58/06/37/1208580637.db2.gz SIZPISSAUJJMTC-ARFHVFGLSA-N 2 2 361.490 0.846 10 0 FCAELP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001488966153 1208589257 /nfs/dbraw/zinc/58/92/57/1208589257.db2.gz ONAFKPYUGCVFAG-JKSUJKDBSA-N 2 2 361.490 0.850 10 0 FCAELP C[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H](C[NH2+]CCO)C1 ZINC001489042617 1208601899 /nfs/dbraw/zinc/60/18/99/1208601899.db2.gz KNJKMNOAMNVAQE-XDNAFOTISA-N 2 2 369.506 0.075 10 0 FCAELP CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@@H]2C1 ZINC001489193383 1208656075 /nfs/dbraw/zinc/65/60/75/1208656075.db2.gz LZRMMIYDJWRZGC-PMPSAXMXSA-N 2 2 359.474 0.362 10 0 FCAELP CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@@H]2C1 ZINC001489193383 1208656079 /nfs/dbraw/zinc/65/60/79/1208656079.db2.gz LZRMMIYDJWRZGC-PMPSAXMXSA-N 2 2 359.474 0.362 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1CC(=O)NC(=O)NC(C)(C)C ZINC001489282759 1208714728 /nfs/dbraw/zinc/71/47/28/1208714728.db2.gz OCYCYHUZJNGUQM-HZSPNIEDSA-N 2 2 367.494 0.284 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1CC(=O)NC(=O)NC(C)(C)C ZINC001489282759 1208714732 /nfs/dbraw/zinc/71/47/32/1208714732.db2.gz OCYCYHUZJNGUQM-HZSPNIEDSA-N 2 2 367.494 0.284 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1CC(=O)NC(=O)NC(C)(C)C ZINC001489282759 1208714736 /nfs/dbraw/zinc/71/47/36/1208714736.db2.gz OCYCYHUZJNGUQM-HZSPNIEDSA-N 2 2 367.494 0.284 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1CC(=O)NC(=O)NC(C)(C)C ZINC001489282759 1208714739 /nfs/dbraw/zinc/71/47/39/1208714739.db2.gz OCYCYHUZJNGUQM-HZSPNIEDSA-N 2 2 367.494 0.284 10 0 FCAELP CO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001489522242 1208877251 /nfs/dbraw/zinc/87/72/51/1208877251.db2.gz CVXHBUOMNMTNBJ-BZUAXINKSA-N 2 2 365.478 0.518 10 0 FCAELP CO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001489534382 1208896069 /nfs/dbraw/zinc/89/60/69/1208896069.db2.gz DDNNMLHQCRTCJA-HUUCEWRRSA-N 2 2 351.451 0.026 10 0 FCAELP CCC[N@H+](C)CC(=O)N[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)[C@@H]1C ZINC001490118114 1209242503 /nfs/dbraw/zinc/24/25/03/1209242503.db2.gz YFEURNBMRDLOBI-PMPSAXMXSA-N 2 2 361.490 0.893 10 0 FCAELP CCC[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)[C@@H]1C ZINC001490118114 1209242507 /nfs/dbraw/zinc/24/25/07/1209242507.db2.gz YFEURNBMRDLOBI-PMPSAXMXSA-N 2 2 361.490 0.893 10 0 FCAELP COCCCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001490434755 1209353454 /nfs/dbraw/zinc/35/34/54/1209353454.db2.gz BCUCKSRMVSNRAD-OWCLPIDISA-N 2 2 354.495 0.060 10 0 FCAELP COCCCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001490434755 1209353461 /nfs/dbraw/zinc/35/34/61/1209353461.db2.gz BCUCKSRMVSNRAD-OWCLPIDISA-N 2 2 354.495 0.060 10 0 FCAELP COCCCNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001490434755 1209353467 /nfs/dbraw/zinc/35/34/67/1209353467.db2.gz BCUCKSRMVSNRAD-OWCLPIDISA-N 2 2 354.495 0.060 10 0 FCAELP COCCCNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001490434755 1209353469 /nfs/dbraw/zinc/35/34/69/1209353469.db2.gz BCUCKSRMVSNRAD-OWCLPIDISA-N 2 2 354.495 0.060 10 0 FCAELP O=C(NCCN1CC[NH+](CC[C@@H]2CCOC2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001490492086 1209360288 /nfs/dbraw/zinc/36/02/88/1209360288.db2.gz AKEACXAORQAWAQ-BRWVUGGUSA-N 2 2 361.490 0.674 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cnn(-c2ccccc2)n1 ZINC000850595514 1209460338 /nfs/dbraw/zinc/46/03/38/1209460338.db2.gz AULMVMPAOKMYBP-UHFFFAOYSA-N 2 2 373.461 0.206 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cnn(-c2ccccc2)n1 ZINC000850595514 1209460341 /nfs/dbraw/zinc/46/03/41/1209460341.db2.gz AULMVMPAOKMYBP-UHFFFAOYSA-N 2 2 373.461 0.206 10 0 FCAELP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852888591 1209572641 /nfs/dbraw/zinc/57/26/41/1209572641.db2.gz JMLKPGQUIRSAGQ-HNNXBMFYSA-N 2 2 359.430 0.393 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000853742001 1209604987 /nfs/dbraw/zinc/60/49/87/1209604987.db2.gz WHGFPUGNASYYSI-GOSISDBHSA-N 3 2 369.554 0.813 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000853742001 1209604989 /nfs/dbraw/zinc/60/49/89/1209604989.db2.gz WHGFPUGNASYYSI-GOSISDBHSA-N 3 2 369.554 0.813 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)CC1 ZINC000860156701 1209840761 /nfs/dbraw/zinc/84/07/61/1209840761.db2.gz GFILSIXSJWMCDX-KBAYOESNSA-N 2 2 357.454 0.997 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)CC1 ZINC000860156701 1209840762 /nfs/dbraw/zinc/84/07/62/1209840762.db2.gz GFILSIXSJWMCDX-KBAYOESNSA-N 2 2 357.454 0.997 10 0 FCAELP CO[C@H]1CN2C(=O)N(C3CC[NH+](C4CC[NH+](C)CC4)CC3)C(=O)[C@]2(C)C1 ZINC000865302714 1209975479 /nfs/dbraw/zinc/97/54/79/1209975479.db2.gz ZWSDSLSOMPYRSU-APWZRJJASA-N 2 2 364.490 0.987 10 0 FCAELP O=C(C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N1CCCc2ccccc21 ZINC000866708691 1210003070 /nfs/dbraw/zinc/00/30/70/1210003070.db2.gz NSYISVZWEBZEQA-NXHRZFHOSA-N 2 2 370.453 0.833 10 0 FCAELP O=C(C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N1CCCc2ccccc21 ZINC000866708691 1210003073 /nfs/dbraw/zinc/00/30/73/1210003073.db2.gz NSYISVZWEBZEQA-NXHRZFHOSA-N 2 2 370.453 0.833 10 0 FCAELP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](Cc2nc(-c3ccccn3)no2)C1 ZINC000866714337 1210005142 /nfs/dbraw/zinc/00/51/42/1210005142.db2.gz MPEKVAQBIHYFHL-KWCYVHTRSA-N 2 2 356.386 0.499 10 0 FCAELP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](Cc2nc(-c3ccccn3)no2)C1 ZINC000866714337 1210005145 /nfs/dbraw/zinc/00/51/45/1210005145.db2.gz MPEKVAQBIHYFHL-KWCYVHTRSA-N 2 2 356.386 0.499 10 0 FCAELP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC[C@H]3[C@@H](CC[NH+]3C)C2)C[C@H](C)O1 ZINC000867488342 1210008967 /nfs/dbraw/zinc/00/89/67/1210008967.db2.gz IEARKCDSICEMGO-YVSFHVDLSA-N 2 2 366.506 0.107 10 0 FCAELP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC[C@H]3[C@@H](CC[NH+]3C)C2)C[C@H](C)O1 ZINC000867488342 1210008969 /nfs/dbraw/zinc/00/89/69/1210008969.db2.gz IEARKCDSICEMGO-YVSFHVDLSA-N 2 2 366.506 0.107 10 0 FCAELP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)C[C@H](C)O1 ZINC000867488342 1210008972 /nfs/dbraw/zinc/00/89/72/1210008972.db2.gz IEARKCDSICEMGO-YVSFHVDLSA-N 2 2 366.506 0.107 10 0 FCAELP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)C[C@H](C)O1 ZINC000867488342 1210008974 /nfs/dbraw/zinc/00/89/74/1210008974.db2.gz IEARKCDSICEMGO-YVSFHVDLSA-N 2 2 366.506 0.107 10 0 FCAELP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)C1 ZINC000867578930 1210015284 /nfs/dbraw/zinc/01/52/84/1210015284.db2.gz VPAQWQVLYSSCLD-OWCLPIDISA-N 2 2 359.474 0.679 10 0 FCAELP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)C1 ZINC000867578930 1210015285 /nfs/dbraw/zinc/01/52/85/1210015285.db2.gz VPAQWQVLYSSCLD-OWCLPIDISA-N 2 2 359.474 0.679 10 0 FCAELP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867798454 1210029766 /nfs/dbraw/zinc/02/97/66/1210029766.db2.gz DLRAPEXDLSHQNN-JQHSSLGASA-N 2 2 356.470 0.842 10 0 FCAELP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867798454 1210029769 /nfs/dbraw/zinc/02/97/69/1210029769.db2.gz DLRAPEXDLSHQNN-JQHSSLGASA-N 2 2 356.470 0.842 10 0 FCAELP C[NH+]1CC[C@H]2CN(C(=O)C(=O)NC[C@H]3c4ccccc4C[N@H+]3C)CC[C@H]21 ZINC000867798454 1210029772 /nfs/dbraw/zinc/02/97/72/1210029772.db2.gz DLRAPEXDLSHQNN-JQHSSLGASA-N 2 2 356.470 0.842 10 0 FCAELP C[NH+]1CC[C@H]2CN(C(=O)C(=O)NC[C@H]3c4ccccc4C[N@@H+]3C)CC[C@H]21 ZINC000867798454 1210029776 /nfs/dbraw/zinc/02/97/76/1210029776.db2.gz DLRAPEXDLSHQNN-JQHSSLGASA-N 2 2 356.470 0.842 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868233475 1210045233 /nfs/dbraw/zinc/04/52/33/1210045233.db2.gz ZTSOQVBKPBIEAF-DLBZAZTESA-N 2 2 360.458 0.620 10 0 FCAELP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1C[NH+](C)C ZINC000870019622 1210099639 /nfs/dbraw/zinc/09/96/39/1210099639.db2.gz KXIJNOMPQOEAAC-ZHALLVOQSA-N 3 2 366.550 0.828 10 0 FCAELP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C[C@H]1C[NH+](C)C ZINC000870019622 1210099642 /nfs/dbraw/zinc/09/96/42/1210099642.db2.gz KXIJNOMPQOEAAC-ZHALLVOQSA-N 3 2 366.550 0.828 10 0 FCAELP CC(C)CCNC(=O)C1CCN(C(=O)C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000872154301 1210173585 /nfs/dbraw/zinc/17/35/85/1210173585.db2.gz VUDCHRAGABQVPJ-FXAWDEMLSA-N 2 2 364.534 0.929 10 0 FCAELP CC(C)CCNC(=O)C1CCN(C(=O)C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000872154301 1210173588 /nfs/dbraw/zinc/17/35/88/1210173588.db2.gz VUDCHRAGABQVPJ-FXAWDEMLSA-N 2 2 364.534 0.929 10 0 FCAELP O=C(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926285092 1211525560 /nfs/dbraw/zinc/52/55/60/1211525560.db2.gz HUSSBUIFWOMJEW-VQIMIIECSA-N 2 2 364.490 0.054 10 0 FCAELP O=C(C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926285089 1211526110 /nfs/dbraw/zinc/52/61/10/1211526110.db2.gz HUSSBUIFWOMJEW-LPHOPBHVSA-N 2 2 364.490 0.054 10 0 FCAELP CN(C(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000926664513 1211553504 /nfs/dbraw/zinc/55/35/04/1211553504.db2.gz WTFUKWKTLKDGJC-SPUZQDLCSA-N 2 2 366.506 0.600 10 0 FCAELP CN(C(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000926664513 1211553508 /nfs/dbraw/zinc/55/35/08/1211553508.db2.gz WTFUKWKTLKDGJC-SPUZQDLCSA-N 2 2 366.506 0.600 10 0 FCAELP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NCC[NH+]3Cc4ccccc4C3)C[C@]2(C)C1 ZINC000929685769 1211655110 /nfs/dbraw/zinc/65/51/10/1211655110.db2.gz KDUDMHNPDVUYFC-XLIONFOSSA-N 2 2 356.470 0.529 10 0 FCAELP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NCC[NH+]3Cc4ccccc4C3)C[C@]2(C)C1 ZINC000929685769 1211655112 /nfs/dbraw/zinc/65/51/12/1211655112.db2.gz KDUDMHNPDVUYFC-XLIONFOSSA-N 2 2 356.470 0.529 10 0 FCAELP Cc1cc(CNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)cc(C)[nH+]1 ZINC000930872738 1211726086 /nfs/dbraw/zinc/72/60/86/1211726086.db2.gz RDXZQRMVAOSNLF-QGZVFWFLSA-N 2 2 360.458 0.684 10 0 FCAELP Cc1cc(CNC(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)cc(C)[nH+]1 ZINC000930872738 1211726093 /nfs/dbraw/zinc/72/60/93/1211726093.db2.gz RDXZQRMVAOSNLF-QGZVFWFLSA-N 2 2 360.458 0.684 10 0 FCAELP Cc1ccccc1C[NH+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000931131688 1211741458 /nfs/dbraw/zinc/74/14/58/1211741458.db2.gz LJVRNNKTIAILPZ-ZWKOTPCHSA-N 2 2 374.485 0.132 10 0 FCAELP Cc1ccccc1C[NH+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000931131688 1211741461 /nfs/dbraw/zinc/74/14/61/1211741461.db2.gz LJVRNNKTIAILPZ-ZWKOTPCHSA-N 2 2 374.485 0.132 10 0 FCAELP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000931131688 1211741464 /nfs/dbraw/zinc/74/14/64/1211741464.db2.gz LJVRNNKTIAILPZ-ZWKOTPCHSA-N 2 2 374.485 0.132 10 0 FCAELP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000931131688 1211741466 /nfs/dbraw/zinc/74/14/66/1211741466.db2.gz LJVRNNKTIAILPZ-ZWKOTPCHSA-N 2 2 374.485 0.132 10 0 FCAELP C[C@@H](NC(=O)c1cccc(N2CC[NH+](C)CC2)n1)[C@H]1C[N@H+](C)CCN1C ZINC000900812063 1218040328 /nfs/dbraw/zinc/04/03/28/1218040328.db2.gz RAESWJAATAOGBF-NVXWUHKLSA-N 2 2 360.506 0.198 10 0 FCAELP C[C@@H](NC(=O)c1cccc(N2CC[NH+](C)CC2)n1)[C@H]1C[N@@H+](C)CCN1C ZINC000900812063 1218040332 /nfs/dbraw/zinc/04/03/32/1218040332.db2.gz RAESWJAATAOGBF-NVXWUHKLSA-N 2 2 360.506 0.198 10 0 FCAELP CCN(C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1)[C@@H]1CC[N@H+](C)C1 ZINC000826926936 1218911738 /nfs/dbraw/zinc/91/17/38/1218911738.db2.gz RJDZRFQVESFGBO-MRXNPFEDSA-N 2 2 370.457 0.745 10 0 FCAELP CCN(C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1)[C@@H]1CC[N@@H+](C)C1 ZINC000826926936 1218911744 /nfs/dbraw/zinc/91/17/44/1218911744.db2.gz RJDZRFQVESFGBO-MRXNPFEDSA-N 2 2 370.457 0.745 10 0 FCAELP C[NH+](C)C1CC[NH+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000749515434 1219804318 /nfs/dbraw/zinc/80/43/18/1219804318.db2.gz PYMYQGFBIHOECH-UHFFFAOYSA-N 2 2 365.478 0.688 10 0 FCAELP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1)C2=O ZINC000749973165 1219831547 /nfs/dbraw/zinc/83/15/47/1219831547.db2.gz XHGFLNNRVBIGNM-ZDUSSCGKSA-N 2 2 366.462 0.624 10 0 FCAELP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1)C2=O ZINC000749973165 1219831550 /nfs/dbraw/zinc/83/15/50/1219831550.db2.gz XHGFLNNRVBIGNM-ZDUSSCGKSA-N 2 2 366.462 0.624 10 0 FCAELP Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000783985237 1221226924 /nfs/dbraw/zinc/22/69/24/1221226924.db2.gz TZVPWGDLCWLPMQ-ROUUACIJSA-N 2 2 374.533 0.795 10 0 FCAELP Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000783985237 1221226927 /nfs/dbraw/zinc/22/69/27/1221226927.db2.gz TZVPWGDLCWLPMQ-ROUUACIJSA-N 2 2 374.533 0.795 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000783985234 1221227012 /nfs/dbraw/zinc/22/70/12/1221227012.db2.gz TZVPWGDLCWLPMQ-QZTJIDSGSA-N 2 2 374.533 0.795 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000783985234 1221227015 /nfs/dbraw/zinc/22/70/15/1221227015.db2.gz TZVPWGDLCWLPMQ-QZTJIDSGSA-N 2 2 374.533 0.795 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC001117365123 1221533456 /nfs/dbraw/zinc/53/34/56/1221533456.db2.gz JHBDJBWMWHRIEO-YTQUADARSA-N 2 2 370.497 0.943 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC001117365123 1221533460 /nfs/dbraw/zinc/53/34/60/1221533460.db2.gz JHBDJBWMWHRIEO-YTQUADARSA-N 2 2 370.497 0.943 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC([C@H](F)C(N)=O)CC3)C2)CC1 ZINC001123601180 1222342490 /nfs/dbraw/zinc/34/24/90/1222342490.db2.gz SDKIKBPMCPWYOO-ZBFHGGJFSA-N 2 2 369.485 0.400 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC([C@H](F)C(N)=O)CC3)C2)CC1 ZINC001123601180 1222342491 /nfs/dbraw/zinc/34/24/91/1222342491.db2.gz SDKIKBPMCPWYOO-ZBFHGGJFSA-N 2 2 369.485 0.400 10 0 FCAELP C[C@H](CNC(=O)[C@]1([NH+](C)C)COc2ccccc2C1)C[NH+]1CCN(C)CC1 ZINC001123658707 1222348374 /nfs/dbraw/zinc/34/83/74/1222348374.db2.gz TYVMOHURMUSZIX-DYESRHJHSA-N 2 2 374.529 0.922 10 0 FCAELP Cc1cccn2cc(CCNC(=O)C(=O)N3CC[C@@]4(C3)CCC[NH2+]C4)[nH+]c12 ZINC000842129135 1222836145 /nfs/dbraw/zinc/83/61/45/1222836145.db2.gz RRSINROSCNRTNL-FQEVSTJZSA-N 2 2 369.469 0.904 10 0 FCAELP Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCC[NH+](C)CCC[NH+](C)C)cn1 ZINC000849606682 1245407623 /nfs/dbraw/zinc/40/76/23/1245407623.db2.gz CFUDCELUIFIBIB-MSOLQXFVSA-N 3 2 364.538 0.455 10 0 FCAELP Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)NCC[NH+](C)CCC[NH+](C)C)cn1 ZINC000849606682 1245407629 /nfs/dbraw/zinc/40/76/29/1245407629.db2.gz CFUDCELUIFIBIB-MSOLQXFVSA-N 3 2 364.538 0.455 10 0 FCAELP Cn1cc([C@@H]2C[NH+](C)CC[C@H]2C(=O)NCC[N@H+](C)CCC[NH+](C)C)cn1 ZINC000849606682 1245407632 /nfs/dbraw/zinc/40/76/32/1245407632.db2.gz CFUDCELUIFIBIB-MSOLQXFVSA-N 3 2 364.538 0.455 10 0 FCAELP Cn1cc([C@@H]2C[NH+](C)CC[C@H]2C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000849606682 1245407639 /nfs/dbraw/zinc/40/76/39/1245407639.db2.gz CFUDCELUIFIBIB-MSOLQXFVSA-N 3 2 364.538 0.455 10 0 FCAELP C/C(=C/C(=O)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1)C[NH+]1CCOCC1 ZINC000909368036 1245482115 /nfs/dbraw/zinc/48/21/15/1245482115.db2.gz QHZUMYVTRIAALJ-YHKKIHSWSA-N 2 2 364.490 0.078 10 0 FCAELP C[C@H]1[C@@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@@H+]1C ZINC000915543639 1245523919 /nfs/dbraw/zinc/52/39/19/1245523919.db2.gz YEQPFTDSKVOMCQ-HOTGVXAUSA-N 2 2 374.489 0.512 10 0 FCAELP C[C@H]1[C@@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@H+]1C ZINC000915543639 1245523924 /nfs/dbraw/zinc/52/39/24/1245523924.db2.gz YEQPFTDSKVOMCQ-HOTGVXAUSA-N 2 2 374.489 0.512 10 0 FCAELP Cc1ccc(N2CCC(C(=O)NCC[N@@H+](C)CCOCCO)CC2)[nH+]c1 ZINC000922119648 1245660031 /nfs/dbraw/zinc/66/00/31/1245660031.db2.gz VKURGRVXUOZJOH-UHFFFAOYSA-N 2 2 364.490 0.663 10 0 FCAELP Cc1ccc(N2CCC(C(=O)NCC[N@H+](C)CCOCCO)CC2)[nH+]c1 ZINC000922119648 1245660041 /nfs/dbraw/zinc/66/00/41/1245660041.db2.gz VKURGRVXUOZJOH-UHFFFAOYSA-N 2 2 364.490 0.663 10 0 FCAELP O=C(N1CC[NH2+]CC1)N1CC[NH+](C[C@H](O)COc2ccccc2F)CC1 ZINC000923397666 1245715326 /nfs/dbraw/zinc/71/53/26/1245715326.db2.gz FCZRKHPOWVBSEF-HNNXBMFYSA-N 2 2 366.437 0.208 10 0 FCAELP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001515106056 1265430934 /nfs/dbraw/zinc/43/09/34/1265430934.db2.gz DZGZSXUNFVSAAD-LSDHHAIUSA-N 2 2 358.446 0.569 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCC(F)(F)C3)C2)CC1 ZINC001328843080 1265624057 /nfs/dbraw/zinc/62/40/57/1265624057.db2.gz GVIWKKJIQYSUHA-KGLIPLIRSA-N 2 2 372.460 0.965 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCC(F)(F)C3)C2)CC1 ZINC001328843080 1265624060 /nfs/dbraw/zinc/62/40/60/1265624060.db2.gz GVIWKKJIQYSUHA-KGLIPLIRSA-N 2 2 372.460 0.965 10 0 FCAELP C[NH+]1C[C@@H](O)C[C@@]1(C)c1nnc(N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)n1CC1CC1 ZINC001518348282 1265661380 /nfs/dbraw/zinc/66/13/80/1265661380.db2.gz ZUEHBHVEHJVBQK-LPWQTFTOSA-N 2 2 374.533 0.988 10 0 FCAELP C[NH+]1C[C@@H](O)C[C@@]1(C)c1nnc(N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)n1CC1CC1 ZINC001518348282 1265661384 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OOPYXFAKZJQQLQ-BPLDGKMQSA-N 2 2 363.510 0.753 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH2+]Cc2nnn(C(C)(C)C)n2)C2CC2)CC[N@H+]1C ZINC001265356639 1260411373 /nfs/dbraw/zinc/41/13/73/1260411373.db2.gz OOPYXFAKZJQQLQ-BPLDGKMQSA-N 2 2 363.510 0.753 10 0 FCAELP Cc1nc(C)n(CC[N@@H+](C)CCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n1 ZINC001265924615 1260420654 /nfs/dbraw/zinc/42/06/54/1260420654.db2.gz CVTFGDKNAKYCHA-HZPDHXFCSA-N 2 2 359.478 0.870 10 0 FCAELP Cc1nc(C)n(CC[N@H+](C)CCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n1 ZINC001265924615 1260420656 /nfs/dbraw/zinc/42/06/56/1260420656.db2.gz CVTFGDKNAKYCHA-HZPDHXFCSA-N 2 2 359.478 0.870 10 0 FCAELP C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CC(=O)Nc1cnccn1 ZINC001266175518 1260423534 /nfs/dbraw/zinc/42/35/34/1260423534.db2.gz MUCQDPIKRGZDMN-MGPQQGTHSA-N 2 2 371.445 0.437 10 0 FCAELP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC001273276364 1260647833 /nfs/dbraw/zinc/64/78/33/1260647833.db2.gz IYTJWUKHSJOZPJ-RBSFLKMASA-N 2 2 363.462 0.102 10 0 FCAELP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001281793250 1261199127 /nfs/dbraw/zinc/19/91/27/1261199127.db2.gz VAERWTVOXRJMPO-BFYDXBDKSA-N 2 2 361.490 0.800 10 0 FCAELP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001281793250 1261199130 /nfs/dbraw/zinc/19/91/30/1261199130.db2.gz VAERWTVOXRJMPO-BFYDXBDKSA-N 2 2 361.490 0.800 10 0 FCAELP C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001281797945 1261201022 /nfs/dbraw/zinc/20/10/22/1261201022.db2.gz NKYJUQJAXUFHQL-HLLBOEOZSA-N 2 2 361.490 0.750 10 0 FCAELP CC(C)OCC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001281816218 1261209006 /nfs/dbraw/zinc/20/90/06/1261209006.db2.gz FVSJDMPEOYNLRX-HZPDHXFCSA-N 2 2 364.490 0.892 10 0 FCAELP CC[C@H](C(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1)[NH+](CC)CC ZINC001281842281 1261226301 /nfs/dbraw/zinc/22/63/01/1261226301.db2.gz SGCAQAROUUJJTR-BZUAXINKSA-N 2 2 365.478 0.346 10 0 FCAELP CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH+]ccn1C)C2)[NH+](C)C ZINC001282669271 1261576771 /nfs/dbraw/zinc/57/67/71/1261576771.db2.gz FVGDWHWUNUKXGH-UGUYLWEFSA-N 2 2 361.490 0.941 10 0 FCAELP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001282770072 1261621128 /nfs/dbraw/zinc/62/11/28/1261621128.db2.gz ZZZAJUGCBPTKRG-NCOADZHNSA-N 2 2 366.506 0.297 10 0 FCAELP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001282770072 1261621135 /nfs/dbraw/zinc/62/11/35/1261621135.db2.gz ZZZAJUGCBPTKRG-NCOADZHNSA-N 2 2 366.506 0.297 10 0 FCAELP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001282770072 1261621137 /nfs/dbraw/zinc/62/11/37/1261621137.db2.gz ZZZAJUGCBPTKRG-NCOADZHNSA-N 2 2 366.506 0.297 10 0 FCAELP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001282770072 1261621142 /nfs/dbraw/zinc/62/11/42/1261621142.db2.gz ZZZAJUGCBPTKRG-NCOADZHNSA-N 2 2 366.506 0.297 10 0 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C[C@]1(C[NH2+]CCNC(=O)C2CC2)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001484097890 1263453996 /nfs/dbraw/zinc/45/39/96/1263453996.db2.gz ICULNBLSTKQWJY-SPYBWZPUSA-N 2 2 359.474 0.868 10 0 FCAELP C[C@]1(C[NH2+]CCNC(=O)C2CC2)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001484097890 1263454003 /nfs/dbraw/zinc/45/40/03/1263454003.db2.gz ICULNBLSTKQWJY-SPYBWZPUSA-N 2 2 359.474 0.868 10 0 FCAELP O=C(C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCOCC1)NC1CC1 ZINC001484183883 1263457102 /nfs/dbraw/zinc/45/71/02/1263457102.db2.gz OHETXJLCRRFGPE-ZIAGYGMSSA-N 2 2 361.446 0.047 10 0 FCAELP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001316759967 1263465636 /nfs/dbraw/zinc/46/56/36/1263465636.db2.gz KXKFNQNGFARLLB-OAGGEKHMSA-N 2 2 361.490 0.967 10 0 FCAELP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001316759967 1263465641 /nfs/dbraw/zinc/46/56/41/1263465641.db2.gz KXKFNQNGFARLLB-OAGGEKHMSA-N 2 2 361.490 0.967 10 0 FCAELP COc1ccnc(C[N@@H+]2CC[C@H](NC(=O)CC[NH+]3CCOCC3)[C@H]2C)c1 ZINC001316795767 1263485169 /nfs/dbraw/zinc/48/51/69/1263485169.db2.gz VNGXYBAKESSICS-QAPCUYQASA-N 2 2 362.474 0.892 10 0 FCAELP COc1ccnc(C[N@H+]2CC[C@H](NC(=O)CC[NH+]3CCOCC3)[C@H]2C)c1 ZINC001316795767 1263485174 /nfs/dbraw/zinc/48/51/74/1263485174.db2.gz VNGXYBAKESSICS-QAPCUYQASA-N 2 2 362.474 0.892 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCCN2CC[NH+](Cc3cnn(C)c3)CC2)CC[N@@H+]1C ZINC001316964398 1263495911 /nfs/dbraw/zinc/49/59/11/1263495911.db2.gz YPAOAWNCLNWLKA-ZWKOTPCHSA-N 2 2 362.522 0.384 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCCN2CC[NH+](Cc3cnn(C)c3)CC2)CC[N@H+]1C ZINC001316964398 1263495917 /nfs/dbraw/zinc/49/59/17/1263495917.db2.gz YPAOAWNCLNWLKA-ZWKOTPCHSA-N 2 2 362.522 0.384 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCN(Cc3cnn(C)c3)CC2)CC[N@@H+]1C ZINC001316964398 1263495920 /nfs/dbraw/zinc/49/59/20/1263495920.db2.gz YPAOAWNCLNWLKA-ZWKOTPCHSA-N 2 2 362.522 0.384 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCN(Cc3cnn(C)c3)CC2)CC[N@H+]1C ZINC001316964398 1263495927 /nfs/dbraw/zinc/49/59/27/1263495927.db2.gz YPAOAWNCLNWLKA-ZWKOTPCHSA-N 2 2 362.522 0.384 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]([NH2+]CC(=O)NC(C)(C)C)C1CC1 ZINC001317028399 1263497600 /nfs/dbraw/zinc/49/76/00/1263497600.db2.gz KMQFDGONSNUNHN-KFWWJZLASA-N 2 2 361.490 0.923 10 0 FCAELP C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CCCN1CCCC1=O ZINC001485924362 1263520758 /nfs/dbraw/zinc/52/07/58/1263520758.db2.gz ZMIUYWLQCKLVAK-BZUAXINKSA-N 2 2 361.490 0.973 10 0 FCAELP CCN(C)C(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001317801221 1263522244 /nfs/dbraw/zinc/52/22/44/1263522244.db2.gz OAAWZUXYHWZSPC-ARFHVFGLSA-N 2 2 361.490 0.830 10 0 FCAELP CCN(C)C(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001317801221 1263522260 /nfs/dbraw/zinc/52/22/60/1263522260.db2.gz OAAWZUXYHWZSPC-ARFHVFGLSA-N 2 2 361.490 0.830 10 0 FCAELP Cc1nc(C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)oc1C ZINC001486336829 1263531954 /nfs/dbraw/zinc/53/19/54/1263531954.db2.gz DVFULVVONPLFHA-VNQPRFMTSA-N 2 2 352.479 0.883 10 0 FCAELP Cc1nc(C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)oc1C ZINC001486336829 1263531967 /nfs/dbraw/zinc/53/19/67/1263531967.db2.gz DVFULVVONPLFHA-VNQPRFMTSA-N 2 2 352.479 0.883 10 0 FCAELP Cc1nc(C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)oc1C ZINC001486336829 1263531972 /nfs/dbraw/zinc/53/19/72/1263531972.db2.gz DVFULVVONPLFHA-VNQPRFMTSA-N 2 2 352.479 0.883 10 0 FCAELP Cc1nc(C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)oc1C ZINC001486336829 1263531978 /nfs/dbraw/zinc/53/19/78/1263531978.db2.gz DVFULVVONPLFHA-VNQPRFMTSA-N 2 2 352.479 0.883 10 0 FCAELP CCCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001491953406 1263629813 /nfs/dbraw/zinc/62/98/13/1263629813.db2.gz XEACKICOJVUTNN-ARFHVFGLSA-N 2 2 361.490 0.973 10 0 FCAELP CCCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001491953406 1263629825 /nfs/dbraw/zinc/62/98/25/1263629825.db2.gz XEACKICOJVUTNN-ARFHVFGLSA-N 2 2 361.490 0.973 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001494313266 1263763337 /nfs/dbraw/zinc/76/33/37/1263763337.db2.gz OXQKTBNLQKLESW-ARFHVFGLSA-N 2 2 361.490 0.830 10 0 FCAELP C[C@@H](C[NH2+]CC(=O)N1CCCCC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001496170209 1263861956 /nfs/dbraw/zinc/86/19/56/1263861956.db2.gz LRJIROSXZKLGQN-ARFHVFGLSA-N 2 2 361.490 0.973 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1C ZINC001497120920 1263916987 /nfs/dbraw/zinc/91/69/87/1263916987.db2.gz YWWZTJUBUUNBIP-BHYGNILZSA-N 2 2 361.490 0.800 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNC(=O)Cc2c[nH+]cn2C)CC[N@H+]1C ZINC001497120920 1263916998 /nfs/dbraw/zinc/91/69/98/1263916998.db2.gz YWWZTJUBUUNBIP-BHYGNILZSA-N 2 2 361.490 0.800 10 0 FCAELP C[C@@H](C[NH2+]CC(=O)Nc1ccc(O)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001498115910 1263963291 /nfs/dbraw/zinc/96/32/91/1263963291.db2.gz XDIJZAQOJKFLDE-APHBMKBZSA-N 2 2 371.441 0.962 10 0 FCAELP COCCC[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCOCC1 ZINC001502635022 1264180513 /nfs/dbraw/zinc/18/05/13/1264180513.db2.gz CLHKEEFWUWJDGO-HUUCEWRRSA-N 2 2 350.463 0.815 10 0 FCAELP NC(=O)N1CCC([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001322633498 1264233558 /nfs/dbraw/zinc/23/35/58/1264233558.db2.gz MORAQXUICLJZED-UHFFFAOYSA-N 2 2 360.462 0.253 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCC(C)(C)O3)C2)CC1 ZINC001322780822 1264264240 /nfs/dbraw/zinc/26/42/40/1264264240.db2.gz MDEGSGTTWOSBOM-HOCLYGCPSA-N 2 2 366.506 0.345 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCC(C)(C)O3)C2)CC1 ZINC001322780822 1264264245 /nfs/dbraw/zinc/26/42/45/1264264245.db2.gz MDEGSGTTWOSBOM-HOCLYGCPSA-N 2 2 366.506 0.345 10 0 FCAELP CN(C[C@@H](O)C[NH2+]CCn1cc(Cl)cn1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001507485579 1264365280 /nfs/dbraw/zinc/36/52/80/1264365280.db2.gz AOOWJYSVGDKPPP-BFHYXJOUSA-N 2 2 366.853 0.472 10 0 FCAELP CN(C[C@@H](O)C[NH2+]CCn1cc(Cl)cn1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001507485579 1264365292 /nfs/dbraw/zinc/36/52/92/1264365292.db2.gz AOOWJYSVGDKPPP-BFHYXJOUSA-N 2 2 366.853 0.472 10 0 FCAELP Cc1nn(C)cc1C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001507505505 1264368996 /nfs/dbraw/zinc/36/89/96/1264368996.db2.gz UIPPTUNTOGEBNT-ARFHVFGLSA-N 2 2 360.462 0.175 10 0 FCAELP CC[NH+](CC)CC(=O)N1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001509512136 1264457483 /nfs/dbraw/zinc/45/74/83/1264457483.db2.gz HNYUTAPYKACUAY-FVQBIDKESA-N 2 2 361.490 0.829 10 0 FCAELP C[NH+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001512827740 1264678402 /nfs/dbraw/zinc/67/84/02/1264678402.db2.gz FDOOQAVWHFDMHW-ZMSDIMECSA-N 2 2 359.474 0.457 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[NH+](Cc3cn(CC)nn3)C2)CC[N@@H+]1C ZINC001325095201 1264773523 /nfs/dbraw/zinc/77/35/23/1264773523.db2.gz CAZKWVAMADYOEM-LZLYRXPVSA-N 2 2 364.494 0.081 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[NH+](Cc3cn(CC)nn3)C2)CC[N@H+]1C ZINC001325095201 1264773529 /nfs/dbraw/zinc/77/35/29/1264773529.db2.gz CAZKWVAMADYOEM-LZLYRXPVSA-N 2 2 364.494 0.081 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[N@H+](Cc3cn(CC)nn3)C2)CC[NH+]1C ZINC001325095201 1264773538 /nfs/dbraw/zinc/77/35/38/1264773538.db2.gz CAZKWVAMADYOEM-LZLYRXPVSA-N 2 2 364.494 0.081 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](Cc3cn(CC)nn3)C2)CC[NH+]1C ZINC001325095201 1264773542 /nfs/dbraw/zinc/77/35/42/1264773542.db2.gz CAZKWVAMADYOEM-LZLYRXPVSA-N 2 2 364.494 0.081 10 0 FCAELP C[C@H](CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001326809269 1265170891 /nfs/dbraw/zinc/17/08/91/1265170891.db2.gz HOXRQZSEBNXILF-WCXIOVBPSA-N 2 2 366.506 0.297 10 0 FCAELP C[C@H](CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001326809269 1265170896 /nfs/dbraw/zinc/17/08/96/1265170896.db2.gz HOXRQZSEBNXILF-WCXIOVBPSA-N 2 2 366.506 0.297 10 0 FCAELP C[C@H](CNC(=O)C(=O)N1CCC[NH+]2CCC[C@@H]2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001326809269 1265170901 /nfs/dbraw/zinc/17/09/01/1265170901.db2.gz HOXRQZSEBNXILF-WCXIOVBPSA-N 2 2 366.506 0.297 10 0 FCAELP C[C@H](CNC(=O)C(=O)N1CCC[NH+]2CCC[C@@H]2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001326809269 1265170909 /nfs/dbraw/zinc/17/09/09/1265170909.db2.gz HOXRQZSEBNXILF-WCXIOVBPSA-N 2 2 366.506 0.297 10 0 FCAELP C[N@@H+]1C[C@@H]2CN(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)C[C@]2(C)C1 ZINC001332980903 1266515502 /nfs/dbraw/zinc/51/55/02/1266515502.db2.gz NKNFYFMTHGJMTN-QAPCUYQASA-N 2 2 362.478 0.631 10 0 FCAELP C[N@H+]1C[C@@H]2CN(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)C[C@]2(C)C1 ZINC001332980903 1266515508 /nfs/dbraw/zinc/51/55/08/1266515508.db2.gz NKNFYFMTHGJMTN-QAPCUYQASA-N 2 2 362.478 0.631 10 0 FCAELP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)c1ccn(-c2cc[nH+]cc2)n1 ZINC001522677184 1266572785 /nfs/dbraw/zinc/57/27/85/1266572785.db2.gz JLVVJORCNZJCTQ-MAUKXSAKSA-N 2 2 357.414 0.223 10 0 FCAELP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)c1ccn(-c2cc[nH+]cc2)n1 ZINC001522677184 1266572790 /nfs/dbraw/zinc/57/27/90/1266572790.db2.gz JLVVJORCNZJCTQ-MAUKXSAKSA-N 2 2 357.414 0.223 10 0 FCAELP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC001333611474 1266649309 /nfs/dbraw/zinc/64/93/09/1266649309.db2.gz OBBNWHVFDVFOMY-OXQOHEQNSA-N 2 2 373.501 0.946 10 0 FCAELP Cc1cn2nc(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)cc2c(=O)[nH]1 ZINC001527694337 1266916607 /nfs/dbraw/zinc/91/66/07/1266916607.db2.gz LEJIFHRPXSITRD-ZDUSSCGKSA-N 2 2 358.446 0.229 10 0 FCAELP Cc1cn2nc(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)cc2c(=O)[nH]1 ZINC001527694337 1266916613 /nfs/dbraw/zinc/91/66/13/1266916613.db2.gz LEJIFHRPXSITRD-ZDUSSCGKSA-N 2 2 358.446 0.229 10 0 FCAELP CO[C@H]1C[C@H](CNC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC001338487021 1267957127 /nfs/dbraw/zinc/95/71/27/1267957127.db2.gz URVDQXFDDZVYKM-CZIWCDLHSA-N 2 2 366.506 0.202 10 0 FCAELP CO[C@@H]1CC[C@@H]1N(C)C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001340617002 1268605486 /nfs/dbraw/zinc/60/54/86/1268605486.db2.gz UTIQFKBFOWIBSW-DLBZAZTESA-N 2 2 366.506 0.297 10 0 FCAELP C[C@@H]1CSCCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001340714790 1268633489 /nfs/dbraw/zinc/63/34/89/1268633489.db2.gz VEYJVDMPDSDVNB-CABCVRRESA-N 2 2 368.547 0.625 10 0 FCAELP C[C@@H]1CSCCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001340714790 1268633494 /nfs/dbraw/zinc/63/34/94/1268633494.db2.gz VEYJVDMPDSDVNB-CABCVRRESA-N 2 2 368.547 0.625 10 0 FCAELP CN(C[C@@H](O)C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1)CC(F)(F)F ZINC001559894989 1269178819 /nfs/dbraw/zinc/17/88/19/1269178819.db2.gz KKTSNSWZVDJTLC-CQSZACIVSA-N 2 2 353.429 0.668 10 0 FCAELP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCc2nc(C[NH+](C)C)cs2)CC[N@@H+]1C ZINC001341840275 1269240700 /nfs/dbraw/zinc/24/07/00/1269240700.db2.gz ZYWJRMPPADPIEY-OCCSQVGLSA-N 2 2 367.519 0.762 10 0 FCAELP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCc2nc(C[NH+](C)C)cs2)CC[N@H+]1C ZINC001341840275 1269240703 /nfs/dbraw/zinc/24/07/03/1269240703.db2.gz ZYWJRMPPADPIEY-OCCSQVGLSA-N 2 2 367.519 0.762 10 0 FCAELP CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001565802005 1269494510 /nfs/dbraw/zinc/49/45/10/1269494510.db2.gz XAMMDQQBRWMZBK-SPYBWZPUSA-N 2 2 368.497 0.868 10 0 FCAELP CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001565802005 1269494513 /nfs/dbraw/zinc/49/45/13/1269494513.db2.gz XAMMDQQBRWMZBK-SPYBWZPUSA-N 2 2 368.497 0.868 10 0 FCAELP CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001565802005 1269494516 /nfs/dbraw/zinc/49/45/16/1269494516.db2.gz XAMMDQQBRWMZBK-SPYBWZPUSA-N 2 2 368.497 0.868 10 0 FCAELP CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001565802005 1269494520 /nfs/dbraw/zinc/49/45/20/1269494520.db2.gz XAMMDQQBRWMZBK-SPYBWZPUSA-N 2 2 368.497 0.868 10 0 FCAELP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001566103456 1269606912 /nfs/dbraw/zinc/60/69/12/1269606912.db2.gz KERLRVBTIWOPEK-ILXRZTDVSA-N 2 2 369.510 0.532 10 0 FCAELP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001566103456 1269606919 /nfs/dbraw/zinc/60/69/19/1269606919.db2.gz KERLRVBTIWOPEK-ILXRZTDVSA-N 2 2 369.510 0.532 10 0 FCAELP CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001342891250 1269666461 /nfs/dbraw/zinc/66/64/61/1269666461.db2.gz SGFXAUCJJZKGHQ-BZUAXINKSA-N 2 2 365.478 0.518 10 0 FCAELP CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001342891250 1269666467 /nfs/dbraw/zinc/66/64/67/1269666467.db2.gz SGFXAUCJJZKGHQ-BZUAXINKSA-N 2 2 365.478 0.518 10 0 FCAELP 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C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[NH+](Cc3ncc(C4CC4)o3)C2)CC[N@H+]1C ZINC001716918577 1287393899 /nfs/dbraw/zinc/39/38/99/1287393899.db2.gz INLVOHISHOXOQV-MUKKUYKPSA-N 2 2 362.474 0.945 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[N@H+](Cc3ncc(C4CC4)o3)C2)CC[NH+]1C ZINC001716918577 1287393905 /nfs/dbraw/zinc/39/39/05/1287393905.db2.gz INLVOHISHOXOQV-MUKKUYKPSA-N 2 2 362.474 0.945 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ncc(C4CC4)o3)C2)CC[NH+]1C ZINC001716918577 1287393911 /nfs/dbraw/zinc/39/39/11/1287393911.db2.gz INLVOHISHOXOQV-MUKKUYKPSA-N 2 2 362.474 0.945 10 0 FCAELP O=C(NC1(C[NH2+]CCn2cccn2)CCOCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001717264554 1287417022 /nfs/dbraw/zinc/41/70/22/1287417022.db2.gz HDTFXMFFQXYXLQ-HUUCEWRRSA-N 2 2 358.446 0.665 10 0 FCAELP O=C(NC1(C[NH2+]CCn2cccn2)CCOCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001717264554 1287417028 /nfs/dbraw/zinc/41/70/28/1287417028.db2.gz HDTFXMFFQXYXLQ-HUUCEWRRSA-N 2 2 358.446 0.665 10 0 FCAELP O=C(NC1CC(C[NH2+]CCN2C(=O)CCC2=O)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001717386376 1287421789 /nfs/dbraw/zinc/42/17/89/1287421789.db2.gz KZFCHLHNMYNROY-NWINJMCUSA-N 2 2 359.430 0.147 10 0 FCAELP O=C(NC1CC(C[NH2+]CCN2C(=O)CCC2=O)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001717386376 1287421795 /nfs/dbraw/zinc/42/17/95/1287421795.db2.gz KZFCHLHNMYNROY-NWINJMCUSA-N 2 2 359.430 0.147 10 0 FCAELP CCNC(=O)C[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@H]12 ZINC001717842416 1287441470 /nfs/dbraw/zinc/44/14/70/1287441470.db2.gz RPMLZCZBMIXJDT-ZLHSVIROSA-N 2 2 359.474 0.773 10 0 FCAELP CCNC(=O)C[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@H]12 ZINC001717842416 1287441478 /nfs/dbraw/zinc/44/14/78/1287441478.db2.gz RPMLZCZBMIXJDT-ZLHSVIROSA-N 2 2 359.474 0.773 10 0 FCAELP CCNC(=O)C[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@@H]12 ZINC001717842414 1287443064 /nfs/dbraw/zinc/44/30/64/1287443064.db2.gz RPMLZCZBMIXJDT-UMHPPVOVSA-N 2 2 359.474 0.773 10 0 FCAELP CCNC(=O)C[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@@H]12 ZINC001717842414 1287443070 /nfs/dbraw/zinc/44/30/70/1287443070.db2.gz RPMLZCZBMIXJDT-UMHPPVOVSA-N 2 2 359.474 0.773 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C\CNC(=O)C1CC[NH+](C)CC1 ZINC001583453780 1282091837 /nfs/dbraw/zinc/09/18/37/1282091837.db2.gz AAANMDQTQWQYKB-JGPFYOFESA-N 2 2 359.474 0.654 10 0 FCAELP Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001641457847 1282953007 /nfs/dbraw/zinc/95/30/07/1282953007.db2.gz OHDMPARCWISVJL-VQIMIIECSA-N 2 2 358.442 0.597 10 0 FCAELP Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC001641457847 1282953014 /nfs/dbraw/zinc/95/30/14/1282953014.db2.gz OHDMPARCWISVJL-VQIMIIECSA-N 2 2 358.442 0.597 10 0 FCAELP C[N@@H+]1CC[C@@H](C(=O)NCC2(CCNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001681953731 1283520737 /nfs/dbraw/zinc/52/07/37/1283520737.db2.gz FYGWUJFVFXUPFF-RBSFLKMASA-N 2 2 359.474 0.868 10 0 FCAELP C[N@H+]1CC[C@@H](C(=O)NCC2(CCNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001681953731 1283520743 /nfs/dbraw/zinc/52/07/43/1283520743.db2.gz FYGWUJFVFXUPFF-RBSFLKMASA-N 2 2 359.474 0.868 10 0 FCAELP C[N@@H+]1CC[C@@H](C(=O)NCC2(CCNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001681953731 1283520750 /nfs/dbraw/zinc/52/07/50/1283520750.db2.gz FYGWUJFVFXUPFF-RBSFLKMASA-N 2 2 359.474 0.868 10 0 FCAELP C[N@H+]1CC[C@@H](C(=O)NCC2(CCNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001681953731 1283520759 /nfs/dbraw/zinc/52/07/59/1283520759.db2.gz FYGWUJFVFXUPFF-RBSFLKMASA-N 2 2 359.474 0.868 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCCc1cnn(C)n1 ZINC001682754962 1283768928 /nfs/dbraw/zinc/76/89/28/1283768928.db2.gz VYPLNMHJPGZWFU-UHFFFAOYSA-N 2 2 351.499 0.415 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCCc1cnn(C)n1 ZINC001682754962 1283768937 /nfs/dbraw/zinc/76/89/37/1283768937.db2.gz VYPLNMHJPGZWFU-UHFFFAOYSA-N 2 2 351.499 0.415 10 0 FCAELP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001683013735 1283834569 /nfs/dbraw/zinc/83/45/69/1283834569.db2.gz PGPYKIVAVNXGLO-HLLBOEOZSA-N 2 2 361.490 0.750 10 0 FCAELP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001683013735 1283834576 /nfs/dbraw/zinc/83/45/76/1283834576.db2.gz PGPYKIVAVNXGLO-HLLBOEOZSA-N 2 2 361.490 0.750 10 0 FCAELP CCC[N@H+](C)CC(=O)N1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC001702709311 1285807278 /nfs/dbraw/zinc/80/72/78/1285807278.db2.gz UYQBWRFWHRUXRB-PMPSAXMXSA-N 2 2 361.490 0.893 10 0 FCAELP CCC[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC001702709311 1285807284 /nfs/dbraw/zinc/80/72/84/1285807284.db2.gz UYQBWRFWHRUXRB-PMPSAXMXSA-N 2 2 361.490 0.893 10 0 FCAELP CC[N@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH+]cn1C)C2 ZINC001703006530 1286050361 /nfs/dbraw/zinc/05/03/61/1286050361.db2.gz VUCPUCZDCNQGFP-OIISXLGYSA-N 2 2 361.490 0.943 10 0 FCAELP CC[N@@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH+]cn1C)C2 ZINC001703006530 1286050367 /nfs/dbraw/zinc/05/03/67/1286050367.db2.gz VUCPUCZDCNQGFP-OIISXLGYSA-N 2 2 361.490 0.943 10 0 FCAELP CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH+]cn1C)C2)[NH+](C)C ZINC001703007856 1286050638 /nfs/dbraw/zinc/05/06/38/1286050638.db2.gz MQFWQQMKNGZXMY-SIXLDLHFSA-N 2 2 361.490 0.941 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1CCS(C)(=O)=O ZINC001707195326 1286502075 /nfs/dbraw/zinc/50/20/75/1286502075.db2.gz LWOMHCQUHLLUFK-HRCADAONSA-N 2 2 359.536 0.875 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC[N@H+]1CCS(C)(=O)=O ZINC001707195326 1286502078 /nfs/dbraw/zinc/50/20/78/1286502078.db2.gz LWOMHCQUHLLUFK-HRCADAONSA-N 2 2 359.536 0.875 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC[NH+]1CCS(C)(=O)=O ZINC001707195326 1286502082 /nfs/dbraw/zinc/50/20/82/1286502082.db2.gz LWOMHCQUHLLUFK-HRCADAONSA-N 2 2 359.536 0.875 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC[NH+]1CCS(C)(=O)=O ZINC001707195326 1286502084 /nfs/dbraw/zinc/50/20/84/1286502084.db2.gz LWOMHCQUHLLUFK-HRCADAONSA-N 2 2 359.536 0.875 10 0 FCAELP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001735981444 1289108838 /nfs/dbraw/zinc/10/88/38/1289108838.db2.gz UFXYEGNHHPEMBJ-BFYDXBDKSA-N 2 2 361.490 0.988 10 0 FCAELP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001735981444 1289108840 /nfs/dbraw/zinc/10/88/40/1289108840.db2.gz UFXYEGNHHPEMBJ-BFYDXBDKSA-N 2 2 361.490 0.988 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1CCCS(=O)(=O)N(C)C ZINC001707259221 1287113494 /nfs/dbraw/zinc/11/34/94/1287113494.db2.gz RAFQOJPVYVQDSK-CABCVRRESA-N 2 2 371.507 0.134 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1CCCS(=O)(=O)N(C)C ZINC001707259221 1287113500 /nfs/dbraw/zinc/11/35/00/1287113500.db2.gz RAFQOJPVYVQDSK-CABCVRRESA-N 2 2 371.507 0.134 10 0 FCAELP CCC(CC)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001707264930 1287122895 /nfs/dbraw/zinc/12/28/95/1287122895.db2.gz PTOOMKYMOXTQJE-WBVHZDCISA-N 2 2 368.522 0.593 10 0 FCAELP CCC(CC)NC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001707264930 1287122905 /nfs/dbraw/zinc/12/29/05/1287122905.db2.gz PTOOMKYMOXTQJE-WBVHZDCISA-N 2 2 368.522 0.593 10 0 FCAELP CC(C)C[C@H](C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O)n1cc[nH+]c1 ZINC001719282192 1288018193 /nfs/dbraw/zinc/01/81/93/1288018193.db2.gz UEBPBSXZIUOCTG-OAGGEKHMSA-N 2 2 365.478 0.110 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CCN1C(=O)C[N@H+](C)C(C)C ZINC001719538082 1288169991 /nfs/dbraw/zinc/16/99/91/1288169991.db2.gz LWXBYFNHGWHNTA-ARFHVFGLSA-N 2 2 354.495 0.153 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CCN1C(=O)C[N@@H+](C)C(C)C ZINC001719538082 1288169996 /nfs/dbraw/zinc/16/99/96/1288169996.db2.gz LWXBYFNHGWHNTA-ARFHVFGLSA-N 2 2 354.495 0.153 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCN1C(=O)C[NH+](C)C(C)C ZINC001719538082 1288170000 /nfs/dbraw/zinc/17/00/00/1288170000.db2.gz LWXBYFNHGWHNTA-ARFHVFGLSA-N 2 2 354.495 0.153 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN1C(=O)C[NH+](C)C(C)C ZINC001719538082 1288170005 /nfs/dbraw/zinc/17/00/05/1288170005.db2.gz LWXBYFNHGWHNTA-ARFHVFGLSA-N 2 2 354.495 0.153 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001722102559 1288405055 /nfs/dbraw/zinc/40/50/55/1288405055.db2.gz BHTHQKKKGZJFBS-HUUCEWRRSA-N 2 2 371.485 0.917 10 0 FCAELP CCn1cc(C[NH2+]C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C2CC2)nn1 ZINC001723331762 1288422558 /nfs/dbraw/zinc/42/25/58/1288422558.db2.gz BRTDTXACBFOUID-BZUAXINKSA-N 2 2 357.462 0.820 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](CC)[C@@H](C)c2nnnn2C)CC[N@@H+]1C ZINC001731308402 1288551907 /nfs/dbraw/zinc/55/19/07/1288551907.db2.gz AWCCMIKFOHVXIY-SOUVJXGZSA-N 2 2 351.499 0.830 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](CC)[C@@H](C)c2nnnn2C)CC[N@H+]1C ZINC001731308402 1288551913 /nfs/dbraw/zinc/55/19/13/1288551913.db2.gz AWCCMIKFOHVXIY-SOUVJXGZSA-N 2 2 351.499 0.830 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCCC[N@H+](CC)[C@@H](C)c2nnnn2C)CC[NH+]1C ZINC001731308402 1288551918 /nfs/dbraw/zinc/55/19/18/1288551918.db2.gz AWCCMIKFOHVXIY-SOUVJXGZSA-N 2 2 351.499 0.830 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCCC[N@@H+](CC)[C@@H](C)c2nnnn2C)CC[NH+]1C ZINC001731308402 1288551924 /nfs/dbraw/zinc/55/19/24/1288551924.db2.gz AWCCMIKFOHVXIY-SOUVJXGZSA-N 2 2 351.499 0.830 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCOCCO)CC2 ZINC001731384494 1288555529 /nfs/dbraw/zinc/55/55/29/1288555529.db2.gz ZFQNGOIOSLLFLM-BFYDXBDKSA-N 2 2 362.474 0.503 10 0 FCAELP CCS(=O)(=O)CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001731825925 1288568013 /nfs/dbraw/zinc/56/80/13/1288568013.db2.gz STIXDBPXHCDQNA-OWCLPIDISA-N 2 2 359.536 0.732 10 0 FCAELP CCS(=O)(=O)CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001731825925 1288568015 /nfs/dbraw/zinc/56/80/15/1288568015.db2.gz STIXDBPXHCDQNA-OWCLPIDISA-N 2 2 359.536 0.732 10 0 FCAELP CCS(=O)(=O)CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001731825925 1288568016 /nfs/dbraw/zinc/56/80/16/1288568016.db2.gz STIXDBPXHCDQNA-OWCLPIDISA-N 2 2 359.536 0.732 10 0 FCAELP CCS(=O)(=O)CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001731825925 1288568019 /nfs/dbraw/zinc/56/80/19/1288568019.db2.gz STIXDBPXHCDQNA-OWCLPIDISA-N 2 2 359.536 0.732 10 0 FCAELP CN(CC[NH2+]CC(=O)NCc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001731922255 1288570321 /nfs/dbraw/zinc/57/03/21/1288570321.db2.gz NOHCDQJWABTLST-HZPDHXFCSA-N 2 2 355.442 0.878 10 0 FCAELP CC(C)NC(=O)NCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001732424907 1288583585 /nfs/dbraw/zinc/58/35/85/1288583585.db2.gz LUEIFLIMLNSIHF-BFHYXJOUSA-N 2 2 350.467 0.657 10 0 FCAELP CC(C)NC(=O)NCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001732424907 1288583586 /nfs/dbraw/zinc/58/35/86/1288583586.db2.gz LUEIFLIMLNSIHF-BFHYXJOUSA-N 2 2 350.467 0.657 10 0 FCAELP COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1F ZINC001732645904 1288588896 /nfs/dbraw/zinc/58/88/96/1288588896.db2.gz VAIQTIQDCYDPQY-MGPQQGTHSA-N 2 2 362.405 0.928 10 0 FCAELP COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1F ZINC001732645904 1288588897 /nfs/dbraw/zinc/58/88/97/1288588897.db2.gz VAIQTIQDCYDPQY-MGPQQGTHSA-N 2 2 362.405 0.928 10 0 FCAELP C[C@H](C[NH2+]Cc1cnns1)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001732965772 1288597269 /nfs/dbraw/zinc/59/72/69/1288597269.db2.gz QHTUERVWEVVTHU-NFAWXSAZSA-N 2 2 369.491 0.012 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[NH+](Cc3nnc(C)o3)C2)CC[N@@H+]1C ZINC001733483610 1288612261 /nfs/dbraw/zinc/61/22/61/1288612261.db2.gz UUWZXAIUXCUXRE-JJRVBVJISA-N 2 2 351.451 0.161 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[NH+](Cc3nnc(C)o3)C2)CC[N@H+]1C ZINC001733483610 1288612265 /nfs/dbraw/zinc/61/22/65/1288612265.db2.gz UUWZXAIUXCUXRE-JJRVBVJISA-N 2 2 351.451 0.161 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[N@H+](Cc3nnc(C)o3)C2)CC[NH+]1C ZINC001733483610 1288612271 /nfs/dbraw/zinc/61/22/71/1288612271.db2.gz UUWZXAIUXCUXRE-JJRVBVJISA-N 2 2 351.451 0.161 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](Cc3nnc(C)o3)C2)CC[NH+]1C ZINC001733483610 1288612279 /nfs/dbraw/zinc/61/22/79/1288612279.db2.gz UUWZXAIUXCUXRE-JJRVBVJISA-N 2 2 351.451 0.161 10 0 FCAELP O=C(NC1(C[NH2+]CCn2cncn2)CCOCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001733830006 1288632844 /nfs/dbraw/zinc/63/28/44/1288632844.db2.gz HXCBLUDNCLVVKK-ZIAGYGMSSA-N 2 2 359.434 0.060 10 0 FCAELP O=C(NC1(C[NH2+]CCn2cncn2)CCOCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001733830006 1288632847 /nfs/dbraw/zinc/63/28/47/1288632847.db2.gz HXCBLUDNCLVVKK-ZIAGYGMSSA-N 2 2 359.434 0.060 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCN1C(=O)CC[NH+](C)C ZINC001736198602 1289196759 /nfs/dbraw/zinc/19/67/59/1289196759.db2.gz LLSAXMZNUCGGIR-HYVNUMGLSA-N 2 2 361.490 0.893 10 0 FCAELP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001736370578 1289288131 /nfs/dbraw/zinc/28/81/31/1289288131.db2.gz OMCQNTFFIAUMKU-ZACQAIPSSA-N 2 2 361.490 0.968 10 0 FCAELP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001736370578 1289288136 /nfs/dbraw/zinc/28/81/36/1289288136.db2.gz OMCQNTFFIAUMKU-ZACQAIPSSA-N 2 2 361.490 0.968 10 0 FCAELP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCc1[nH+]ccn1C)[NH+](C)C ZINC001736491368 1289389806 /nfs/dbraw/zinc/38/98/06/1289389806.db2.gz JQKIPWNPNLCKKJ-QXSJWSMHSA-N 2 2 361.490 0.941 10 0 FCAELP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001736513579 1289406516 /nfs/dbraw/zinc/40/65/16/1289406516.db2.gz JXQPONBHVDDKLR-WCVJEAGWSA-N 2 2 359.474 0.645 10 0 FCAELP CN(CCNC(=O)C12CCC[NH+](CCC1)C2)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001737744378 1289581337 /nfs/dbraw/zinc/58/13/37/1289581337.db2.gz FTQFCYPLYSDVRC-HUUCEWRRSA-N 2 2 359.474 0.964 10 0 FCAELP CN(CCNC(=O)C12CCC[NH+](CCC1)C2)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001737744378 1289581345 /nfs/dbraw/zinc/58/13/45/1289581345.db2.gz FTQFCYPLYSDVRC-HUUCEWRRSA-N 2 2 359.474 0.964 10 0 FCAELP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCCC[C@H]1C[NH2+]CCF ZINC001700344947 1289593058 /nfs/dbraw/zinc/59/30/58/1289593058.db2.gz FKUXUZGJNPFDIL-BBWFWOEESA-N 2 2 357.470 0.806 10 0 FCAELP COCC[NH+]1CCN(C(=O)[C@]2(O)CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001615788457 1289761041 /nfs/dbraw/zinc/76/10/41/1289761041.db2.gz SQYOWSKNNLWQFM-FQEVSTJZSA-N 2 2 361.486 0.804 10 0 FCAELP COCC[NH+]1CCN(C(=O)[C@]2(O)CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001615788457 1289761048 /nfs/dbraw/zinc/76/10/48/1289761048.db2.gz SQYOWSKNNLWQFM-FQEVSTJZSA-N 2 2 361.486 0.804 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccsc3S(N)(=O)=O)C2)CC1 ZINC001616890823 1289798537 /nfs/dbraw/zinc/79/85/37/1289798537.db2.gz XRPZPUOTQYVVHK-LLVKDONJSA-N 2 2 372.516 0.294 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccsc3S(N)(=O)=O)C2)CC1 ZINC001616890823 1289798544 /nfs/dbraw/zinc/79/85/44/1289798544.db2.gz XRPZPUOTQYVVHK-LLVKDONJSA-N 2 2 372.516 0.294 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CC(C(=O)OC(C)(C)C)=NO1 ZINC001645218927 1291009811 /nfs/dbraw/zinc/00/98/11/1291009811.db2.gz GXVBVNLJSBBITH-AWEZNQCLSA-N 2 2 356.467 0.473 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CC(C(=O)OC(C)(C)C)=NO1 ZINC001645218927 1291009817 /nfs/dbraw/zinc/00/98/17/1291009817.db2.gz GXVBVNLJSBBITH-AWEZNQCLSA-N 2 2 356.467 0.473 10 0 FCAELP CNC(=O)C[N@@H+]1CCCN(C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001654848492 1291440594 /nfs/dbraw/zinc/44/05/94/1291440594.db2.gz RVMHTXAKWDAPHU-HXUWFJFHSA-N 2 2 360.502 0.377 10 0 FCAELP CNC(=O)C[N@H+]1CCCN(C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001654848492 1291440598 /nfs/dbraw/zinc/44/05/98/1291440598.db2.gz RVMHTXAKWDAPHU-HXUWFJFHSA-N 2 2 360.502 0.377 10 0 FCAELP CNC(=O)C[NH+]1CCCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001654848492 1291440606 /nfs/dbraw/zinc/44/06/06/1291440606.db2.gz RVMHTXAKWDAPHU-HXUWFJFHSA-N 2 2 360.502 0.377 10 0 FCAELP CNC(=O)C[NH+]1CCCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001654848492 1291440611 /nfs/dbraw/zinc/44/06/11/1291440611.db2.gz RVMHTXAKWDAPHU-HXUWFJFHSA-N 2 2 360.502 0.377 10 0 FCAELP CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001657040407 1291590480 /nfs/dbraw/zinc/59/04/80/1291590480.db2.gz NYQRALSXGCFUNY-XHSDSOJGSA-N 2 2 354.495 0.060 10 0 FCAELP CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001657040407 1291590484 /nfs/dbraw/zinc/59/04/84/1291590484.db2.gz NYQRALSXGCFUNY-XHSDSOJGSA-N 2 2 354.495 0.060 10 0 FCAELP C[C@@H](C[NH2+]CC(=O)NCC(F)(F)F)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001666927928 1291925572 /nfs/dbraw/zinc/92/55/72/1291925572.db2.gz RUNISWLCMCNQER-HBNTYKKESA-N 2 2 361.368 0.628 10 0 FCAELP CCc1nc(C[NH2+]CC2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCOCC2)no1 ZINC001673727529 1292121210 /nfs/dbraw/zinc/12/12/10/1292121210.db2.gz HGTUTCGIUCQBFQ-ZIAGYGMSSA-N 2 2 365.478 0.727 10 0 FCAELP CCc1nc(C[NH2+]CC2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCOCC2)no1 ZINC001673727529 1292121215 /nfs/dbraw/zinc/12/12/15/1292121215.db2.gz HGTUTCGIUCQBFQ-ZIAGYGMSSA-N 2 2 365.478 0.727 10 0 FCAELP CC[NH+](CC)CC(=O)N1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC001685286670 1292483367 /nfs/dbraw/zinc/48/33/67/1292483367.db2.gz YUBWKBJWBIPGQO-VYDXJSESSA-N 2 2 361.490 0.893 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CCc2[nH+]ccn2C)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001685351999 1292511216 /nfs/dbraw/zinc/51/12/16/1292511216.db2.gz KIVJADMHGIJZMR-ZBFHGGJFSA-N 2 2 361.490 0.943 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CCc2[nH+]ccn2C)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001685351999 1292511225 /nfs/dbraw/zinc/51/12/25/1292511225.db2.gz KIVJADMHGIJZMR-ZBFHGGJFSA-N 2 2 361.490 0.943 10 0 FCAELP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001686083593 1292760232 /nfs/dbraw/zinc/76/02/32/1292760232.db2.gz IRHPHVAFUZZPSB-PMPSAXMXSA-N 2 2 359.474 0.932 10 0 FCAELP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001686083593 1292760243 /nfs/dbraw/zinc/76/02/43/1292760243.db2.gz IRHPHVAFUZZPSB-PMPSAXMXSA-N 2 2 359.474 0.932 10 0 FCAELP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC001118481903 847441874 /nfs/dbraw/zinc/44/18/74/847441874.db2.gz GFSUYDREFNKKJE-CQSZACIVSA-N 2 2 350.467 0.561 10 0 FCAELP O=C(NCC[N@@H+]1CCC2(C1)OCCO2)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC001123615020 848614213 /nfs/dbraw/zinc/61/42/13/848614213.db2.gz SGHLHGGFCHZHBU-HUUCEWRRSA-N 2 2 370.519 0.314 10 0 FCAELP O=C(NCC[N@H+]1CCC2(C1)OCCO2)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC001123615020 848614217 /nfs/dbraw/zinc/61/42/17/848614217.db2.gz SGHLHGGFCHZHBU-HUUCEWRRSA-N 2 2 370.519 0.314 10 0 FCAELP O=C(NCC[NH+]1CCC2(C1)OCCO2)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001123615020 848614222 /nfs/dbraw/zinc/61/42/22/848614222.db2.gz SGHLHGGFCHZHBU-HUUCEWRRSA-N 2 2 370.519 0.314 10 0 FCAELP O=C(NCC[NH+]1CCC2(C1)OCCO2)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC001123615020 848614227 /nfs/dbraw/zinc/61/42/27/848614227.db2.gz SGHLHGGFCHZHBU-HUUCEWRRSA-N 2 2 370.519 0.314 10 0 FCAELP CC(C)[C@@H](C(=O)N1CCN(C2C[NH+](C)C2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001123934717 848657295 /nfs/dbraw/zinc/65/72/95/848657295.db2.gz AHHCVDNDOWSQSK-JZXOWHBKSA-N 2 2 352.523 0.578 10 0 FCAELP CC(C)[C@@H](C(=O)N1CCN(C2C[NH+](C)C2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001123934717 848657302 /nfs/dbraw/zinc/65/73/02/848657302.db2.gz AHHCVDNDOWSQSK-JZXOWHBKSA-N 2 2 352.523 0.578 10 0 FCAELP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC2(CS(C)(=O)=O)CC2)[C@@H]1C ZINC001264175520 859345336 /nfs/dbraw/zinc/34/53/36/859345336.db2.gz NGBIDSSRGRGLTE-CABCVRRESA-N 2 2 359.536 0.730 10 0 FCAELP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC2(CS(C)(=O)=O)CC2)[C@@H]1C ZINC001264175520 859345346 /nfs/dbraw/zinc/34/53/46/859345346.db2.gz NGBIDSSRGRGLTE-CABCVRRESA-N 2 2 359.536 0.730 10 0 FCAELP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC2(CS(C)(=O)=O)CC2)[C@@H]1C ZINC001264175520 859345354 /nfs/dbraw/zinc/34/53/54/859345354.db2.gz NGBIDSSRGRGLTE-CABCVRRESA-N 2 2 359.536 0.730 10 0 FCAELP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC2(CS(C)(=O)=O)CC2)[C@@H]1C ZINC001264175520 859345361 /nfs/dbraw/zinc/34/53/61/859345361.db2.gz NGBIDSSRGRGLTE-CABCVRRESA-N 2 2 359.536 0.730 10 0 FCAELP CCO[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C[NH2+]CC(=O)NC ZINC001264535183 859377524 /nfs/dbraw/zinc/37/75/24/859377524.db2.gz XEKUHRJGHIRKAB-RRFJBIMHSA-N 2 2 351.451 0.033 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1CC1(CS(C)(=O)=O)CC1 ZINC001264714895 859435657 /nfs/dbraw/zinc/43/56/57/859435657.db2.gz DXYHBFZMYZNQLG-PMPSAXMXSA-N 2 2 371.547 0.875 10 0 FCAELP 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FCAELP Cn1ncc2c1nc(NC[C@@H](O)C[N@H+]1CCc3ccccc3C1)[nH+]c2N ZINC000275984060 212134214 /nfs/dbraw/zinc/13/42/14/212134214.db2.gz GWWUOIRMEVLNPD-CQSZACIVSA-N 2 2 353.430 0.777 10 0 FCAELP C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000415027666 245342529 /nfs/dbraw/zinc/34/25/29/245342529.db2.gz XATSQZFJXDTYFK-CHWSQXEVSA-N 2 2 369.491 0.480 10 0 FCAELP CC[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@]2(CCOC2)O1 ZINC000373395340 217014610 /nfs/dbraw/zinc/01/46/10/217014610.db2.gz QHYOJGRHUDEVKY-MJGOQNOKSA-N 2 2 368.522 0.992 10 0 FCAELP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C[C@@H]1C ZINC000185349103 209175693 /nfs/dbraw/zinc/17/56/93/209175693.db2.gz ITDVDIYSDSQVFL-LSDHHAIUSA-N 2 2 358.446 0.864 10 0 FCAELP C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C[C@@H]1C ZINC000185349103 209175694 /nfs/dbraw/zinc/17/56/94/209175694.db2.gz ITDVDIYSDSQVFL-LSDHHAIUSA-N 2 2 358.446 0.864 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](CCO)c2ccco2)C1 ZINC000185102307 209172208 /nfs/dbraw/zinc/17/22/08/209172208.db2.gz HTPWSQCSJZMIHT-HOTGVXAUSA-N 2 2 353.463 0.766 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](CCO)c2ccco2)C1 ZINC000185102307 209172211 /nfs/dbraw/zinc/17/22/11/209172211.db2.gz HTPWSQCSJZMIHT-HOTGVXAUSA-N 2 2 353.463 0.766 10 0 FCAELP C[C@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC(=O)N1C ZINC000374493294 217135661 /nfs/dbraw/zinc/13/56/61/217135661.db2.gz WUPFHEPDUBPDDI-AWEZNQCLSA-N 2 2 351.495 0.417 10 0 FCAELP CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000375315247 217249125 /nfs/dbraw/zinc/24/91/25/217249125.db2.gz BDIGTNRSDAMXOB-MSOLQXFVSA-N 2 2 357.539 0.531 10 0 FCAELP CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000375315247 217249130 /nfs/dbraw/zinc/24/91/30/217249130.db2.gz BDIGTNRSDAMXOB-MSOLQXFVSA-N 2 2 357.539 0.531 10 0 FCAELP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCn1cc[nH+]c1C ZINC000419298886 246091724 /nfs/dbraw/zinc/09/17/24/246091724.db2.gz IXRGGMNLLGZDLB-INIZCTEOSA-N 2 2 371.441 0.489 10 0 FCAELP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000419309800 246095088 /nfs/dbraw/zinc/09/50/88/246095088.db2.gz QOAJMESFMNCXPK-GOEBONIOSA-N 2 2 359.474 0.802 10 0 FCAELP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419716019 246268249 /nfs/dbraw/zinc/26/82/49/246268249.db2.gz WQMDIRPPHILNNW-CYBMUJFWSA-N 2 2 350.850 0.292 10 0 FCAELP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419716019 246268253 /nfs/dbraw/zinc/26/82/53/246268253.db2.gz WQMDIRPPHILNNW-CYBMUJFWSA-N 2 2 350.850 0.292 10 0 FCAELP CN(C(=O)C(=O)NCCC[NH3+])[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419831357 246310395 /nfs/dbraw/zinc/31/03/95/246310395.db2.gz LPXIZFOFEFRKLK-DLBZAZTESA-N 3 2 367.538 0.247 10 0 FCAELP CN(C(=O)C(=O)NCCC[NH3+])[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419831357 246310400 /nfs/dbraw/zinc/31/04/00/246310400.db2.gz LPXIZFOFEFRKLK-DLBZAZTESA-N 3 2 367.538 0.247 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000419928613 246373929 /nfs/dbraw/zinc/37/39/29/246373929.db2.gz LJQFFLNDRFCEJR-QGZVFWFLSA-N 2 2 367.453 0.855 10 0 FCAELP [NH3+][C@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000419933337 246374775 /nfs/dbraw/zinc/37/47/75/246374775.db2.gz QLYMZJBEGDVROH-IAGOWNOFSA-N 2 2 360.458 0.126 10 0 FCAELP NC(=O)C1([NH+]2CCCCC2)CC[NH+](C[C@H](O)CCC2(O)CCC2)CC1 ZINC000931686539 674131497 /nfs/dbraw/zinc/13/14/97/674131497.db2.gz MXRYTVFPPWOZCF-MRXNPFEDSA-N 2 2 353.507 0.848 10 0 FCAELP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)CC1 ZINC000423690697 247111580 /nfs/dbraw/zinc/11/15/80/247111580.db2.gz YUHZXHXNJLLONJ-DOTOQJQBSA-N 2 2 359.474 0.497 10 0 FCAELP O=C(C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000423653582 247094075 /nfs/dbraw/zinc/09/40/75/247094075.db2.gz ZILMTISJHULEMY-IAGOWNOFSA-N 2 2 355.442 0.027 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CC1 ZINC000423738471 247135915 /nfs/dbraw/zinc/13/59/15/247135915.db2.gz QSJSTDBNGDZUQX-GDBMZVCRSA-N 2 2 359.474 0.624 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)N3C[C@@H](c4cnn(C)c4)[C@H]([NH3+])C3)ccc2[nH+]1 ZINC000424449492 247222763 /nfs/dbraw/zinc/22/27/63/247222763.db2.gz SQOBCJVKTIRYHJ-LSDHHAIUSA-N 2 2 367.413 0.268 10 0 FCAELP COCC(C)(C)[NH+]1CCN(C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000425426374 247337974 /nfs/dbraw/zinc/33/79/74/247337974.db2.gz QJAMBQJZCPXTSM-UHFFFAOYSA-N 2 2 356.511 0.851 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)Nc1cncc(N[C@H](C)C[NH+]2CCOCC2)n1 ZINC000439096582 248109534 /nfs/dbraw/zinc/10/95/34/248109534.db2.gz FXGSJLYZHHWJAD-HZPDHXFCSA-N 2 2 364.494 0.742 10 0 FCAELP CC[N@H+](CCO)CCNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000443045682 248305174 /nfs/dbraw/zinc/30/51/74/248305174.db2.gz JEIHPPJQAIZRIS-UHFFFAOYSA-N 2 2 352.460 0.524 10 0 FCAELP CC[N@@H+](CCO)CCNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000443045682 248305176 /nfs/dbraw/zinc/30/51/76/248305176.db2.gz JEIHPPJQAIZRIS-UHFFFAOYSA-N 2 2 352.460 0.524 10 0 FCAELP C[C@H](CO)[N@@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)C[C@H](C)O ZINC000443335938 248321896 /nfs/dbraw/zinc/32/18/96/248321896.db2.gz XBFCTBRBYRIZAN-FGTMMUONSA-N 2 2 363.502 0.955 10 0 FCAELP C[C@H](CO)[N@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)C[C@H](C)O ZINC000443335938 248321897 /nfs/dbraw/zinc/32/18/97/248321897.db2.gz XBFCTBRBYRIZAN-FGTMMUONSA-N 2 2 363.502 0.955 10 0 FCAELP O=C(NC[C@H]1CCCC[N@H+]1CCO)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000452376348 249314033 /nfs/dbraw/zinc/31/40/33/249314033.db2.gz KSLYSCOGFASQDR-QGZVFWFLSA-N 2 2 362.474 0.490 10 0 FCAELP O=C(NC[C@H]1CCCC[N@@H+]1CCO)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000452376348 249314036 /nfs/dbraw/zinc/31/40/36/249314036.db2.gz KSLYSCOGFASQDR-QGZVFWFLSA-N 2 2 362.474 0.490 10 0 FCAELP Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CCO)cn2cc[nH+]c12 ZINC000453820773 249374242 /nfs/dbraw/zinc/37/42/42/249374242.db2.gz OKZULWSTECLROI-OAHLLOKOSA-N 2 2 359.430 0.544 10 0 FCAELP Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2CCO)cn2cc[nH+]c12 ZINC000453820773 249374245 /nfs/dbraw/zinc/37/42/45/249374245.db2.gz OKZULWSTECLROI-OAHLLOKOSA-N 2 2 359.430 0.544 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)NCC3(O)CC[NH+](C(C)C)CC3)ccc2[nH+]1 ZINC000271826565 211470564 /nfs/dbraw/zinc/47/05/64/211470564.db2.gz INMRASRTBCMKQA-UHFFFAOYSA-N 2 2 373.457 0.933 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)CC1 ZINC000079489755 208090422 /nfs/dbraw/zinc/09/04/22/208090422.db2.gz GYPCAZSVLLMZOF-IAGOWNOFSA-N 2 2 352.523 0.724 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)CC1 ZINC000079489755 208090424 /nfs/dbraw/zinc/09/04/24/208090424.db2.gz GYPCAZSVLLMZOF-IAGOWNOFSA-N 2 2 352.523 0.724 10 0 FCAELP COC[C@H](C)NC(=O)NC(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106165647 208218001 /nfs/dbraw/zinc/21/80/01/208218001.db2.gz XHHPFPFPJLIGQK-ZDUSSCGKSA-N 2 2 351.451 0.535 10 0 FCAELP CC(C)(C)[C@@H]([NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(N)=O ZINC000106444436 208222906 /nfs/dbraw/zinc/22/29/06/208222906.db2.gz JFMFBMWOGOWSJV-INIZCTEOSA-N 2 2 368.522 0.627 10 0 FCAELP CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109753616 208258075 /nfs/dbraw/zinc/25/80/75/208258075.db2.gz CGOQLUFHVZXKCG-HOTGVXAUSA-N 2 2 353.511 0.711 10 0 FCAELP CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109753616 208258083 /nfs/dbraw/zinc/25/80/83/208258083.db2.gz CGOQLUFHVZXKCG-HOTGVXAUSA-N 2 2 353.511 0.711 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(C3OCCO3)CC2)C1 ZINC000110081385 208266534 /nfs/dbraw/zinc/26/65/34/208266534.db2.gz IXMKGKQAYWXGTR-KRWDZBQOSA-N 2 2 369.506 0.544 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(C3OCCO3)CC2)C1 ZINC000110081385 208266537 /nfs/dbraw/zinc/26/65/37/208266537.db2.gz IXMKGKQAYWXGTR-KRWDZBQOSA-N 2 2 369.506 0.544 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](c3cnn(C)c3)C2)C1 ZINC000116314757 208330879 /nfs/dbraw/zinc/33/08/79/208330879.db2.gz SQRAQAFEHSJYKK-WMZOPIPTSA-N 2 2 363.506 0.682 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](c3cnn(C)c3)C2)C1 ZINC000116314757 208330884 /nfs/dbraw/zinc/33/08/84/208330884.db2.gz SQRAQAFEHSJYKK-WMZOPIPTSA-N 2 2 363.506 0.682 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)C1 ZINC000116314757 208330890 /nfs/dbraw/zinc/33/08/90/208330890.db2.gz SQRAQAFEHSJYKK-WMZOPIPTSA-N 2 2 363.506 0.682 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@H](c3cnn(C)c3)C2)C1 ZINC000116314757 208330894 /nfs/dbraw/zinc/33/08/94/208330894.db2.gz SQRAQAFEHSJYKK-WMZOPIPTSA-N 2 2 363.506 0.682 10 0 FCAELP C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000114720951 208316320 /nfs/dbraw/zinc/31/63/20/208316320.db2.gz KSGKXCQOXOOTIL-FGTMMUONSA-N 2 2 352.523 0.772 10 0 FCAELP C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000114720951 208316326 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C[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC[NH+]1C ZINC000123153161 488583390 /nfs/dbraw/zinc/58/33/90/488583390.db2.gz AAZDJHYGUDFBCP-TZMCWYRMSA-N 2 2 354.476 0.687 10 0 FCAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC[NH+]1C ZINC000123153161 488583392 /nfs/dbraw/zinc/58/33/92/488583392.db2.gz AAZDJHYGUDFBCP-TZMCWYRMSA-N 2 2 354.476 0.687 10 0 FCAELP CN(C)c1nc(N2CC[NH+](CC(=O)N(C)Cc3cnn(C)c3)CC2)cc[nH+]1 ZINC000134118564 488664336 /nfs/dbraw/zinc/66/43/36/488664336.db2.gz UCINQXGCWIFFRP-UHFFFAOYSA-N 2 2 372.477 0.057 10 0 FCAELP CC(C)[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(N)=O ZINC000135329782 488672416 /nfs/dbraw/zinc/67/24/16/488672416.db2.gz TXHKGAVHQRQTQC-OAHLLOKOSA-N 2 2 353.511 0.746 10 0 FCAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000136075274 488675654 /nfs/dbraw/zinc/67/56/54/488675654.db2.gz YQRZNIIERRSIHA-DLBZAZTESA-N 2 2 352.523 0.772 10 0 FCAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000136075274 488675656 /nfs/dbraw/zinc/67/56/56/488675656.db2.gz YQRZNIIERRSIHA-DLBZAZTESA-N 2 2 352.523 0.772 10 0 FCAELP CC(=O)N(C)C1CC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000143726390 488691786 /nfs/dbraw/zinc/69/17/86/488691786.db2.gz GULWTXKGDDTZME-SFHVURJKSA-N 2 2 368.522 0.402 10 0 FCAELP CC(=O)N(C)C1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000143726390 488691789 /nfs/dbraw/zinc/69/17/89/488691789.db2.gz GULWTXKGDDTZME-SFHVURJKSA-N 2 2 368.522 0.402 10 0 FCAELP C[C@@H](CNC(=O)CN1CC[NH+](Cc2ccccc2)CC1)C[NH+]1CCOCC1 ZINC000150714460 488698991 /nfs/dbraw/zinc/69/89/91/488698991.db2.gz SPJQZSJHASECOV-IBGZPJMESA-N 2 2 374.529 0.889 10 0 FCAELP C[NH2+]C1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000563100306 491215557 /nfs/dbraw/zinc/21/55/57/491215557.db2.gz DSIDOGNECJFDOG-UHFFFAOYSA-N 2 2 359.474 0.721 10 0 FCAELP CN1C(=O)C[C@@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@@H]1c1cccnc1 ZINC000267187070 488768449 /nfs/dbraw/zinc/76/84/49/488768449.db2.gz AXFQIJTUZDYCPG-MJGOQNOKSA-N 2 2 373.501 0.743 10 0 FCAELP C[C@H](CNC(=O)N1CCN(Cc2[nH+]ccn2C)CC1)C[NH+]1CCOCC1 ZINC000163389361 488807504 /nfs/dbraw/zinc/80/75/04/488807504.db2.gz RQQWLTHEDPKORT-MRXNPFEDSA-N 2 2 364.494 0.216 10 0 FCAELP COCC[N@@H+]1CCN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)C[C@H]1C ZINC000170939108 488818111 /nfs/dbraw/zinc/81/81/11/488818111.db2.gz LMDQSPLPXGWGLU-QGZVFWFLSA-N 2 2 364.490 0.576 10 0 FCAELP COCC[N@H+]1CCN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)C[C@H]1C ZINC000170939108 488818112 /nfs/dbraw/zinc/81/81/12/488818112.db2.gz LMDQSPLPXGWGLU-QGZVFWFLSA-N 2 2 364.490 0.576 10 0 FCAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)NCC(=O)N3CCCC3)C2)[nH+]1 ZINC000171650246 488824965 /nfs/dbraw/zinc/82/49/65/488824965.db2.gz DCZOUDZNIKTWPF-INIZCTEOSA-N 2 2 359.474 0.862 10 0 FCAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)NCC(=O)N3CCCC3)C2)[nH+]1 ZINC000171650246 488824966 /nfs/dbraw/zinc/82/49/66/488824966.db2.gz DCZOUDZNIKTWPF-INIZCTEOSA-N 2 2 359.474 0.862 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@H](n3cncn3)C2)C1 ZINC000171703285 488825923 /nfs/dbraw/zinc/82/59/23/488825923.db2.gz ZYGSZNMNLGSSAP-IRXDYDNUSA-N 2 2 364.494 0.388 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@H](n3cncn3)C2)C1 ZINC000171703285 488825924 /nfs/dbraw/zinc/82/59/24/488825924.db2.gz ZYGSZNMNLGSSAP-IRXDYDNUSA-N 2 2 364.494 0.388 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@H](n3cncn3)C2)C1 ZINC000171703285 488825926 /nfs/dbraw/zinc/82/59/26/488825926.db2.gz ZYGSZNMNLGSSAP-IRXDYDNUSA-N 2 2 364.494 0.388 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC[C@H](n3cncn3)C2)C1 ZINC000171703285 488825927 /nfs/dbraw/zinc/82/59/27/488825927.db2.gz ZYGSZNMNLGSSAP-IRXDYDNUSA-N 2 2 364.494 0.388 10 0 FCAELP CCN1C[C@@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1=O ZINC000172750839 488837292 /nfs/dbraw/zinc/83/72/92/488837292.db2.gz VVTAPTHJXRZZRP-INIZCTEOSA-N 2 2 350.507 0.921 10 0 FCAELP CN(CC(=O)N1CCOCC1)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173875154 488845900 /nfs/dbraw/zinc/84/59/00/488845900.db2.gz YOJRNCPUCWSUIM-QGZVFWFLSA-N 2 2 366.506 0.111 10 0 FCAELP CN(CC(=O)N1CCOCC1)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173875154 488845901 /nfs/dbraw/zinc/84/59/01/488845901.db2.gz YOJRNCPUCWSUIM-QGZVFWFLSA-N 2 2 366.506 0.111 10 0 FCAELP C[NH+]1CCN([C@H]2CCCC[N@H+](CC(=O)NC(=O)NC(C)(C)C)C2)CC1 ZINC000174879353 488851868 /nfs/dbraw/zinc/85/18/68/488851868.db2.gz NYXBKHBLPUIVJV-HNNXBMFYSA-N 2 2 353.511 0.713 10 0 FCAELP C[NH+]1CCN([C@H]2CCCC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C2)CC1 ZINC000174879353 488851869 /nfs/dbraw/zinc/85/18/69/488851869.db2.gz NYXBKHBLPUIVJV-HNNXBMFYSA-N 2 2 353.511 0.713 10 0 FCAELP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000181725014 488863724 /nfs/dbraw/zinc/86/37/24/488863724.db2.gz HMKZGRVCHUEGIK-IAGOWNOFSA-N 2 2 369.554 0.357 10 0 FCAELP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3nnc4n3CCCC4)CC2)CC1 ZINC000329390421 488999898 /nfs/dbraw/zinc/99/98/98/488999898.db2.gz UXBGQBJWUJREBX-UHFFFAOYSA-N 2 2 360.506 0.991 10 0 FCAELP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000329503205 489010247 /nfs/dbraw/zinc/01/02/47/489010247.db2.gz APGVIUJSWVRMIF-ZACQAIPSSA-N 2 2 366.506 0.108 10 0 FCAELP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000329503205 489010251 /nfs/dbraw/zinc/01/02/51/489010251.db2.gz APGVIUJSWVRMIF-ZACQAIPSSA-N 2 2 366.506 0.108 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N[C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)CC2)cc[nH+]1 ZINC000288880051 489024297 /nfs/dbraw/zinc/02/42/97/489024297.db2.gz HRONKZUXXASKTP-HIFRSBDPSA-N 2 2 372.473 0.175 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N[C@H]3C[C@@H](C)[N@H+](C4CC4)C3)CC2)cc[nH+]1 ZINC000288880051 489024299 /nfs/dbraw/zinc/02/42/99/489024299.db2.gz HRONKZUXXASKTP-HIFRSBDPSA-N 2 2 372.473 0.175 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N[C@H]3C[C@H](C)[N@@H+](C4CC4)C3)CC2)cc[nH+]1 ZINC000288881836 489025135 /nfs/dbraw/zinc/02/51/35/489025135.db2.gz HRONKZUXXASKTP-ZFWWWQNUSA-N 2 2 372.473 0.175 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N[C@H]3C[C@H](C)[N@H+](C4CC4)C3)CC2)cc[nH+]1 ZINC000288881836 489025139 /nfs/dbraw/zinc/02/51/39/489025139.db2.gz HRONKZUXXASKTP-ZFWWWQNUSA-N 2 2 372.473 0.175 10 0 FCAELP COC[C@H](C)OC[C@H](O)C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000365711374 489103145 /nfs/dbraw/zinc/10/31/45/489103145.db2.gz KRGXZYPWAFAWDV-SXLOBPIMSA-N 2 2 366.502 0.968 10 0 FCAELP COC[C@H](C)OC[C@H](O)C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000365711374 489103149 /nfs/dbraw/zinc/10/31/49/489103149.db2.gz KRGXZYPWAFAWDV-SXLOBPIMSA-N 2 2 366.502 0.968 10 0 FCAELP COC[C@H](C)OC[C@H](O)C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000365711374 489103152 /nfs/dbraw/zinc/10/31/52/489103152.db2.gz KRGXZYPWAFAWDV-SXLOBPIMSA-N 2 2 366.502 0.968 10 0 FCAELP COC[C@H](C)OC[C@H](O)C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000365711374 489103155 /nfs/dbraw/zinc/10/31/55/489103155.db2.gz KRGXZYPWAFAWDV-SXLOBPIMSA-N 2 2 366.502 0.968 10 0 FCAELP C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](C[NH2+]Cc2cn[nH]c2)CC3)CC1 ZINC000683073018 493332641 /nfs/dbraw/zinc/33/26/41/493332641.db2.gz SNWUSHGHJAVQSV-AWEZNQCLSA-N 2 2 357.462 0.346 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2CCOCC2)[C@H]1c1ccccc1 ZINC000283680663 489291113 /nfs/dbraw/zinc/29/11/13/489291113.db2.gz WEQXSEIOQOPLJA-ZWKOTPCHSA-N 2 2 374.485 0.387 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2CCOCC2)[C@H]1c1ccccc1 ZINC000283680663 489291116 /nfs/dbraw/zinc/29/11/16/489291116.db2.gz WEQXSEIOQOPLJA-ZWKOTPCHSA-N 2 2 374.485 0.387 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@](O)(C(F)(F)F)C3)C2)CC1 ZINC000370025833 489305241 /nfs/dbraw/zinc/30/52/41/489305241.db2.gz HCIGICFEUFYBKM-IUODEOHRSA-N 2 2 364.412 0.864 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@](O)(C(F)(F)F)C3)C2)CC1 ZINC000370025833 489305242 /nfs/dbraw/zinc/30/52/42/489305242.db2.gz HCIGICFEUFYBKM-IUODEOHRSA-N 2 2 364.412 0.864 10 0 FCAELP CCN1C[C@@H](NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1=O ZINC000570602014 491252589 /nfs/dbraw/zinc/25/25/89/491252589.db2.gz PXJMBDJUJKWPJA-INIZCTEOSA-N 2 2 365.522 0.857 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)cc[nH+]1 ZINC000286969835 489447345 /nfs/dbraw/zinc/44/73/45/489447345.db2.gz AIZRPPLRNHUHPI-HZPDHXFCSA-N 2 2 374.489 0.423 10 0 FCAELP NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000299583542 489458690 /nfs/dbraw/zinc/45/86/90/489458690.db2.gz RRECSHHHELNWPJ-HNNXBMFYSA-N 2 2 360.462 0.111 10 0 FCAELP NC(=O)NC(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000299583542 489458693 /nfs/dbraw/zinc/45/86/93/489458693.db2.gz RRECSHHHELNWPJ-HNNXBMFYSA-N 2 2 360.462 0.111 10 0 FCAELP CN(CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)S(=O)(=O)c1ccc(F)cc1 ZINC000423095015 489492820 /nfs/dbraw/zinc/49/28/20/489492820.db2.gz LEKVJEKKDFFPRO-DLBZAZTESA-N 2 2 371.478 0.803 10 0 FCAELP O=C(CC[N@H+]1CC[C@@](O)(C(F)F)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000451440639 489504464 /nfs/dbraw/zinc/50/44/64/489504464.db2.gz XFFVFTCQINQBPY-KRWDZBQOSA-N 2 2 354.401 0.822 10 0 FCAELP O=C(CC[N@@H+]1CC[C@@](O)(C(F)F)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000451440639 489504467 /nfs/dbraw/zinc/50/44/67/489504467.db2.gz XFFVFTCQINQBPY-KRWDZBQOSA-N 2 2 354.401 0.822 10 0 FCAELP C[C@H]([NH3+])c1ccc(CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000415192874 489513071 /nfs/dbraw/zinc/51/30/71/489513071.db2.gz VPRXJDQKCCPWHM-HNNXBMFYSA-N 2 2 372.473 1.557 10 0 FCAELP COC(=O)[C@@H]1C[N@H+](CCn2cc[nH+]c2C)[C@H](C)CN1CCn1cc[nH+]c1C ZINC000451729390 489520674 /nfs/dbraw/zinc/52/06/74/489520674.db2.gz VGFGYLKUXJJDAK-QAPCUYQASA-N 3 2 374.489 0.944 10 0 FCAELP COC(=O)[C@@H]1C[N@@H+](CCn2cc[nH+]c2C)[C@H](C)CN1CCn1cc[nH+]c1C ZINC000451729390 489520677 /nfs/dbraw/zinc/52/06/77/489520677.db2.gz VGFGYLKUXJJDAK-QAPCUYQASA-N 3 2 374.489 0.944 10 0 FCAELP CC(C)(CNC(=O)C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1)[NH+]1CCOCC1 ZINC000451880122 489527543 /nfs/dbraw/zinc/52/75/43/489527543.db2.gz MOOAKRHUYCSLEK-TZMCWYRMSA-N 2 2 367.412 0.459 10 0 FCAELP CC(C)(CNC(=O)C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1)[NH+]1CCOCC1 ZINC000451880122 489527544 /nfs/dbraw/zinc/52/75/44/489527544.db2.gz MOOAKRHUYCSLEK-TZMCWYRMSA-N 2 2 367.412 0.459 10 0 FCAELP O=C(Nc1ccccc1C[NH+]1CCOCC1)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000415762206 489550562 /nfs/dbraw/zinc/55/05/62/489550562.db2.gz HFAVBLSOVFZOMB-DLBZAZTESA-N 2 2 372.469 0.668 10 0 FCAELP O=C(Nc1ccccc1C[NH+]1CCOCC1)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000415762208 489550764 /nfs/dbraw/zinc/55/07/64/489550764.db2.gz HFAVBLSOVFZOMB-IRXDYDNUSA-N 2 2 372.469 0.668 10 0 FCAELP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC000555667436 491264042 /nfs/dbraw/zinc/26/40/42/491264042.db2.gz JMGGEJZSHZEOMP-HOTGVXAUSA-N 2 2 368.522 0.402 10 0 FCAELP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC000555667436 491264043 /nfs/dbraw/zinc/26/40/43/491264043.db2.gz JMGGEJZSHZEOMP-HOTGVXAUSA-N 2 2 368.522 0.402 10 0 FCAELP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H](C)C1 ZINC000555667437 491264080 /nfs/dbraw/zinc/26/40/80/491264080.db2.gz JMGGEJZSHZEOMP-HZPDHXFCSA-N 2 2 368.522 0.402 10 0 FCAELP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H](C)C1 ZINC000555667437 491264081 /nfs/dbraw/zinc/26/40/81/491264081.db2.gz JMGGEJZSHZEOMP-HZPDHXFCSA-N 2 2 368.522 0.402 10 0 FCAELP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000416297552 489579900 /nfs/dbraw/zinc/57/99/00/489579900.db2.gz PUARCGVJZXMXQA-ROUUACIJSA-N 2 2 374.529 0.961 10 0 FCAELP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000416297552 489579901 /nfs/dbraw/zinc/57/99/01/489579901.db2.gz PUARCGVJZXMXQA-ROUUACIJSA-N 2 2 374.529 0.961 10 0 FCAELP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000416297552 489579904 /nfs/dbraw/zinc/57/99/04/489579904.db2.gz PUARCGVJZXMXQA-ROUUACIJSA-N 2 2 374.529 0.961 10 0 FCAELP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000416297552 489579906 /nfs/dbraw/zinc/57/99/06/489579906.db2.gz PUARCGVJZXMXQA-ROUUACIJSA-N 2 2 374.529 0.961 10 0 FCAELP CNC(=O)C[C@@H](C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000455456222 489592916 /nfs/dbraw/zinc/59/29/16/489592916.db2.gz FEQOMBDNODUPBT-OAHLLOKOSA-N 2 2 353.511 0.761 10 0 FCAELP C[C@@H](C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1)[NH+]1CCN(C)CC1 ZINC000427142975 489596456 /nfs/dbraw/zinc/59/64/56/489596456.db2.gz LFDKKQTUUDTWOW-ZWKOTPCHSA-N 2 2 352.523 0.726 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)C1 ZINC000372751243 489633278 /nfs/dbraw/zinc/63/32/78/489633278.db2.gz PDVAHLVIPCNTFY-DFGXFYAUSA-N 2 2 366.506 0.045 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)C1 ZINC000372751243 489633279 /nfs/dbraw/zinc/63/32/79/489633279.db2.gz PDVAHLVIPCNTFY-DFGXFYAUSA-N 2 2 366.506 0.045 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)C1 ZINC000372751243 489633280 /nfs/dbraw/zinc/63/32/80/489633280.db2.gz PDVAHLVIPCNTFY-DFGXFYAUSA-N 2 2 366.506 0.045 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)C1 ZINC000372751243 489633281 /nfs/dbraw/zinc/63/32/81/489633281.db2.gz PDVAHLVIPCNTFY-DFGXFYAUSA-N 2 2 366.506 0.045 10 0 FCAELP COCC[C@@H](C)[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000372818454 489639572 /nfs/dbraw/zinc/63/95/72/489639572.db2.gz LZZYDFUEHQUZSI-HZPDHXFCSA-N 2 2 363.506 0.848 10 0 FCAELP CCC(CC)[C@H](CNC(=O)N1CC[N@H+](CCO)C[C@@H]1C)[NH+]1CCOCC1 ZINC000457619855 489651579 /nfs/dbraw/zinc/65/15/79/489651579.db2.gz POSGKCSYNQVPID-WMZOPIPTSA-N 2 2 370.538 0.831 10 0 FCAELP CCC(CC)[C@H](CNC(=O)N1CC[N@@H+](CCO)C[C@@H]1C)[NH+]1CCOCC1 ZINC000457619855 489651583 /nfs/dbraw/zinc/65/15/83/489651583.db2.gz POSGKCSYNQVPID-WMZOPIPTSA-N 2 2 370.538 0.831 10 0 FCAELP C[C@@H]([NH3+])[C@H](C)NC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000417631355 489660159 /nfs/dbraw/zinc/66/01/59/489660159.db2.gz SBZHNEXCQQUEEH-CABCVRRESA-N 2 2 353.511 0.746 10 0 FCAELP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000417710308 489662254 /nfs/dbraw/zinc/66/22/54/489662254.db2.gz PEBROMKUEWSDHG-KRWDZBQOSA-N 2 2 367.538 0.946 10 0 FCAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000429333196 489682723 /nfs/dbraw/zinc/68/27/23/489682723.db2.gz ITSZNVPRVPGIOE-AWEZNQCLSA-N 2 2 363.462 0.757 10 0 FCAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000429333196 489682727 /nfs/dbraw/zinc/68/27/27/489682727.db2.gz ITSZNVPRVPGIOE-AWEZNQCLSA-N 2 2 363.462 0.757 10 0 FCAELP CC[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(=O)NC ZINC000458461366 489684483 /nfs/dbraw/zinc/68/44/83/489684483.db2.gz FCEZBHGPGMKDTH-OAHLLOKOSA-N 2 2 353.511 0.761 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)c1 ZINC000459154629 489720587 /nfs/dbraw/zinc/72/05/87/489720587.db2.gz SZPLSPREYIEKKG-UHFFFAOYSA-N 2 2 350.467 0.254 10 0 FCAELP CC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC[NH2+]C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000418864290 489764084 /nfs/dbraw/zinc/76/40/84/489764084.db2.gz IVISZNDSMYHYLC-ZFWWWQNUSA-N 2 2 372.391 0.691 10 0 FCAELP CC[N@H+]1CC[C@H](NC(=O)C(=O)NCC[NH2+]C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000418864290 489764088 /nfs/dbraw/zinc/76/40/88/489764088.db2.gz IVISZNDSMYHYLC-ZFWWWQNUSA-N 2 2 372.391 0.691 10 0 FCAELP CC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000418868871 489767235 /nfs/dbraw/zinc/76/72/35/489767235.db2.gz QGRBWQVIOBQTMG-FGEZKYSXSA-N 2 2 372.391 0.819 10 0 FCAELP CC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000418868871 489767236 /nfs/dbraw/zinc/76/72/36/489767236.db2.gz QGRBWQVIOBQTMG-FGEZKYSXSA-N 2 2 372.391 0.819 10 0 FCAELP C[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418871874 489768032 /nfs/dbraw/zinc/76/80/32/489768032.db2.gz VGHQGCLSJAGUMP-HZPDHXFCSA-N 2 2 368.428 0.940 10 0 FCAELP C[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418871874 489768038 /nfs/dbraw/zinc/76/80/38/489768038.db2.gz VGHQGCLSJAGUMP-HZPDHXFCSA-N 2 2 368.428 0.940 10 0 FCAELP Cc1cc(C)c(CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)c[nH+]1 ZINC000418889801 489777749 /nfs/dbraw/zinc/77/77/49/489777749.db2.gz QWWGLCYLBVBYAI-QGZVFWFLSA-N 2 2 353.426 0.883 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H](CO)c3cccnc3)C2)CC1 ZINC000376704646 489779796 /nfs/dbraw/zinc/77/97/96/489779796.db2.gz BKWDVUWSZOYKKL-IRXDYDNUSA-N 2 2 361.490 0.625 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H](CO)c3cccnc3)C2)CC1 ZINC000376704646 489779800 /nfs/dbraw/zinc/77/98/00/489779800.db2.gz BKWDVUWSZOYKKL-IRXDYDNUSA-N 2 2 361.490 0.625 10 0 FCAELP C[NH2+]CCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000418901037 489781854 /nfs/dbraw/zinc/78/18/54/489781854.db2.gz DTHFLJANXQXJBN-LSDHHAIUSA-N 2 2 352.866 0.879 10 0 FCAELP C[NH2+]CCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000418901037 489781856 /nfs/dbraw/zinc/78/18/56/489781856.db2.gz DTHFLJANXQXJBN-LSDHHAIUSA-N 2 2 352.866 0.879 10 0 FCAELP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418900102 489782040 /nfs/dbraw/zinc/78/20/40/489782040.db2.gz CPVSGHJQRAEBNM-HFBAOOFYSA-N 2 2 366.412 0.647 10 0 FCAELP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418900102 489782045 /nfs/dbraw/zinc/78/20/45/489782045.db2.gz CPVSGHJQRAEBNM-HFBAOOFYSA-N 2 2 366.412 0.647 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000418907823 489785006 /nfs/dbraw/zinc/78/50/06/489785006.db2.gz MIMUSRAJLGCBFL-HUUCEWRRSA-N 2 2 366.412 0.824 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000418907823 489785011 /nfs/dbraw/zinc/78/50/11/489785011.db2.gz MIMUSRAJLGCBFL-HUUCEWRRSA-N 2 2 366.412 0.824 10 0 FCAELP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000418911360 489786267 /nfs/dbraw/zinc/78/62/67/489786267.db2.gz PVCRFWCFCSFIMX-WQVCFCJDSA-N 2 2 366.412 0.647 10 0 FCAELP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000418911360 489786272 /nfs/dbraw/zinc/78/62/72/489786272.db2.gz PVCRFWCFCSFIMX-WQVCFCJDSA-N 2 2 366.412 0.647 10 0 FCAELP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000418916778 489790063 /nfs/dbraw/zinc/79/00/63/489790063.db2.gz SLBCWLKSOVQNHF-MAUKXSAKSA-N 2 2 374.485 0.249 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000418917914 489791081 /nfs/dbraw/zinc/79/10/81/489791081.db2.gz YZVHUXVIWMEPOQ-LSDHHAIUSA-N 2 2 368.840 0.772 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000418917914 489791083 /nfs/dbraw/zinc/79/10/83/489791083.db2.gz YZVHUXVIWMEPOQ-LSDHHAIUSA-N 2 2 368.840 0.772 10 0 FCAELP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419022226 489821368 /nfs/dbraw/zinc/82/13/68/489821368.db2.gz HXXMJPKMKWBHBG-CQSZACIVSA-N 2 2 359.405 0.886 10 0 FCAELP CCn1nccc1C[N@H+](CCO)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000475498622 489833762 /nfs/dbraw/zinc/83/37/62/489833762.db2.gz ZZZYSDYLVMJPEX-UHFFFAOYSA-N 2 2 359.478 0.439 10 0 FCAELP CCn1nccc1C[N@@H+](CCO)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000475498622 489833767 /nfs/dbraw/zinc/83/37/67/489833767.db2.gz ZZZYSDYLVMJPEX-UHFFFAOYSA-N 2 2 359.478 0.439 10 0 FCAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)C(=O)N2CC[NH2+]CC2)c(C)c1 ZINC000419113745 489861050 /nfs/dbraw/zinc/86/10/50/489861050.db2.gz QWXJBABAUOKCQG-KRWDZBQOSA-N 2 2 355.442 0.789 10 0 FCAELP [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000420067715 489901382 /nfs/dbraw/zinc/90/13/82/489901382.db2.gz SWQOPDJFYJBTKR-GDBMZVCRSA-N 2 2 359.474 0.779 10 0 FCAELP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000420101126 489912035 /nfs/dbraw/zinc/91/20/35/489912035.db2.gz LSMKHTBMEQQWPC-SJLPKXTDSA-N 2 2 374.485 0.324 10 0 FCAELP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000420108782 489914926 /nfs/dbraw/zinc/91/49/26/489914926.db2.gz YRLDPELVDOLXDE-HNNXBMFYSA-N 2 2 354.495 0.333 10 0 FCAELP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000377565579 489920724 /nfs/dbraw/zinc/92/07/24/489920724.db2.gz SREYGCLCTVWNKY-MRXNPFEDSA-N 2 2 352.429 0.870 10 0 FCAELP CC1(CNC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000420126868 489921743 /nfs/dbraw/zinc/92/17/43/489921743.db2.gz SCFOONPRXBEWDE-MRXNPFEDSA-N 2 2 366.506 0.206 10 0 FCAELP C[C@H](O)C[N@@H+]1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)[C@@H](C)C1 ZINC000377688946 489942521 /nfs/dbraw/zinc/94/25/21/489942521.db2.gz XBQGHFQYNCRYIA-HOTGVXAUSA-N 2 2 363.506 0.546 10 0 FCAELP C[C@H](O)C[N@H+]1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)[C@@H](C)C1 ZINC000377688946 489942526 /nfs/dbraw/zinc/94/25/26/489942526.db2.gz XBQGHFQYNCRYIA-HOTGVXAUSA-N 2 2 363.506 0.546 10 0 FCAELP CN1CCN(c2cc(NCCC[NH2+]Cc3cccnc3)[nH+]cn2)CC1=O ZINC000420184941 489944019 /nfs/dbraw/zinc/94/40/19/489944019.db2.gz OIZRYYNJFQHKFA-UHFFFAOYSA-N 2 2 355.446 0.742 10 0 FCAELP CN1CCN(c2cc(NCCC[NH2+]Cc3cccnc3)nc[nH+]2)CC1=O ZINC000420184941 489944024 /nfs/dbraw/zinc/94/40/24/489944024.db2.gz OIZRYYNJFQHKFA-UHFFFAOYSA-N 2 2 355.446 0.742 10 0 FCAELP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420372971 489968283 /nfs/dbraw/zinc/96/82/83/489968283.db2.gz MQFXLASUWAFIHN-GUYCJALGSA-N 2 2 366.487 0.737 10 0 FCAELP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420372971 489968287 /nfs/dbraw/zinc/96/82/87/489968287.db2.gz MQFXLASUWAFIHN-GUYCJALGSA-N 2 2 366.487 0.737 10 0 FCAELP CC(C)[C@@H](CNC(=O)C(=O)NCc1ccc2c[nH+]cn2c1)[NH+]1CCOCC1 ZINC000421197256 490055177 /nfs/dbraw/zinc/05/51/77/490055177.db2.gz GWATVBADROAVPU-QGZVFWFLSA-N 2 2 373.457 0.424 10 0 FCAELP 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ZINC000542115177 490885472 /nfs/dbraw/zinc/88/54/72/490885472.db2.gz AGYKLWQLCMMDIT-HNNXBMFYSA-N 2 2 362.478 0.695 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000542116588 490886117 /nfs/dbraw/zinc/88/61/17/490886117.db2.gz SXVLMDMQJAKDFN-UKRRQHHQSA-N 2 2 360.462 0.447 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1=O ZINC000542116588 490886119 /nfs/dbraw/zinc/88/61/19/490886119.db2.gz SXVLMDMQJAKDFN-UKRRQHHQSA-N 2 2 360.462 0.447 10 0 FCAELP Cc1c(-c2cc(C[NH+]3CCN(C(=O)N4CC[NH2+]CC4)CC3)on2)cnn1C ZINC000530223584 490893686 /nfs/dbraw/zinc/89/36/86/490893686.db2.gz NUKQWPQRLDKKFC-UHFFFAOYSA-N 2 2 373.461 0.526 10 0 FCAELP CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530228403 490894304 /nfs/dbraw/zinc/89/43/04/490894304.db2.gz SJKXMLGSJRIFAE-IRXDYDNUSA-N 2 2 365.522 0.809 10 0 FCAELP Cn1cc(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)c(-c2cccnc2)n1 ZINC000530243586 490895124 /nfs/dbraw/zinc/89/51/24/490895124.db2.gz SWTLXSBSXBCIOF-UHFFFAOYSA-N 2 2 369.473 0.625 10 0 FCAELP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000517366906 490906118 /nfs/dbraw/zinc/90/61/18/490906118.db2.gz FTGLGEUBRWGFBF-MQVJKMGUSA-N 2 2 351.491 0.618 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)NCC[NH+]2CCCCC2)C1=O ZINC000543050060 490920454 /nfs/dbraw/zinc/92/04/54/490920454.db2.gz DPDUJYBIVFGPIY-OAHLLOKOSA-N 2 2 362.478 0.696 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000517867339 490923444 /nfs/dbraw/zinc/92/34/44/490923444.db2.gz SSXVPAMBHXRJTF-HNNXBMFYSA-N 2 2 362.478 0.534 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000517867339 490923446 /nfs/dbraw/zinc/92/34/46/490923446.db2.gz SSXVPAMBHXRJTF-HNNXBMFYSA-N 2 2 362.478 0.534 10 0 FCAELP COc1cc[nH+]c(N2CC[NH+](C[C@@H](O)COC[C@@H]3CCCO3)CC2)c1 ZINC000517909048 490924403 /nfs/dbraw/zinc/92/44/03/490924403.db2.gz YBNCIIMTDHEIHU-WBVHZDCISA-N 2 2 351.447 0.769 10 0 FCAELP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000543979450 490953738 /nfs/dbraw/zinc/95/37/38/490953738.db2.gz MORXGONZLWVYTM-CABCVRRESA-N 2 2 364.494 0.941 10 0 FCAELP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000544822619 490983121 /nfs/dbraw/zinc/98/31/21/490983121.db2.gz WYJKFSQPAMJSLQ-AWEZNQCLSA-N 2 2 356.430 0.802 10 0 FCAELP CC[NH+](CC)CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000569622638 491175355 /nfs/dbraw/zinc/17/53/55/491175355.db2.gz ZZYGJOIJVKICDV-HOTGVXAUSA-N 2 2 359.536 0.686 10 0 FCAELP CC[NH+](CC)CCN(C(=O)C[N@H+]1CC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000569622638 491175357 /nfs/dbraw/zinc/17/53/57/491175357.db2.gz ZZYGJOIJVKICDV-HOTGVXAUSA-N 2 2 359.536 0.686 10 0 FCAELP Cn1c[nH+]cc1CC[N@@H+]1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000562680072 491180234 /nfs/dbraw/zinc/18/02/34/491180234.db2.gz SVMJJHNMWGRMJP-HNNXBMFYSA-N 2 2 354.410 0.960 10 0 FCAELP Cn1c[nH+]cc1CC[N@H+]1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000562680072 491180236 /nfs/dbraw/zinc/18/02/36/491180236.db2.gz SVMJJHNMWGRMJP-HNNXBMFYSA-N 2 2 354.410 0.960 10 0 FCAELP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000557492862 491378348 /nfs/dbraw/zinc/37/83/48/491378348.db2.gz ICIJOAJVEYHXIJ-CABCVRRESA-N 2 2 363.462 0.343 10 0 FCAELP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000557492862 491378349 /nfs/dbraw/zinc/37/83/49/491378349.db2.gz ICIJOAJVEYHXIJ-CABCVRRESA-N 2 2 363.462 0.343 10 0 FCAELP CC[NH+](CC)CC1CCN(c2nc(NCCO)[nH+]c(NC(C)C)n2)CC1 ZINC000557512281 491379859 /nfs/dbraw/zinc/37/98/59/491379859.db2.gz ZEFKFLXEJJJFTP-UHFFFAOYSA-N 2 2 365.526 0.498 10 0 FCAELP CC[NH+](CC)CC1CCN(c2nc(NC(C)C)nc(NCCO)[nH+]2)CC1 ZINC000557512281 491379861 /nfs/dbraw/zinc/37/98/61/491379861.db2.gz ZEFKFLXEJJJFTP-UHFFFAOYSA-N 2 2 365.526 0.498 10 0 FCAELP CC[NH+](CC)CC1CCN(c2nc(NCCO)nc(NC(C)C)[nH+]2)CC1 ZINC000557512281 491379862 /nfs/dbraw/zinc/37/98/62/491379862.db2.gz ZEFKFLXEJJJFTP-UHFFFAOYSA-N 2 2 365.526 0.498 10 0 FCAELP [NH3+]CCC1CCN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000565485306 491380094 /nfs/dbraw/zinc/38/00/94/491380094.db2.gz CQHIKPNNIPGNIR-UHFFFAOYSA-N 2 2 359.474 0.754 10 0 FCAELP CCN(C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H]1CC[N@H+](CC)C1 ZINC000668361117 493340250 /nfs/dbraw/zinc/34/02/50/493340250.db2.gz SEYOWIRERGEXBA-HNNXBMFYSA-N 2 2 354.495 0.156 10 0 FCAELP CCN(C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H]1CC[N@@H+](CC)C1 ZINC000668361117 493340255 /nfs/dbraw/zinc/34/02/55/493340255.db2.gz SEYOWIRERGEXBA-HNNXBMFYSA-N 2 2 354.495 0.156 10 0 FCAELP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)CC1 ZINC000565962956 491409942 /nfs/dbraw/zinc/40/99/42/491409942.db2.gz XABFFWNIZZJBOG-UHFFFAOYSA-N 2 2 372.535 0.087 10 0 FCAELP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)CC1 ZINC000565962956 491409944 /nfs/dbraw/zinc/40/99/44/491409944.db2.gz XABFFWNIZZJBOG-UHFFFAOYSA-N 2 2 372.535 0.087 10 0 FCAELP CC[NH+]1CCC(CCNC(=O)C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000558112157 491415260 /nfs/dbraw/zinc/41/52/60/491415260.db2.gz HNRGZDBHGOZDEY-OAHLLOKOSA-N 2 2 354.495 0.062 10 0 FCAELP CC[NH+]1CCC(CCNC(=O)C(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000558112157 491415263 /nfs/dbraw/zinc/41/52/63/491415263.db2.gz HNRGZDBHGOZDEY-OAHLLOKOSA-N 2 2 354.495 0.062 10 0 FCAELP C[N@H+](CC(=O)Nc1ccc2c(c1)C[NH+](CC(N)=O)CC2)[C@H]1CCSC1 ZINC000573193778 491418276 /nfs/dbraw/zinc/41/82/76/491418276.db2.gz LVBBFMAMCAHPOO-INIZCTEOSA-N 2 2 362.499 0.906 10 0 FCAELP C[N@@H+](CC(=O)Nc1ccc2c(c1)C[NH+](CC(N)=O)CC2)[C@H]1CCSC1 ZINC000573193778 491418278 /nfs/dbraw/zinc/41/82/78/491418278.db2.gz LVBBFMAMCAHPOO-INIZCTEOSA-N 2 2 362.499 0.906 10 0 FCAELP C[NH+](CC(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2)[C@H]1CCSC1 ZINC000573193778 491418281 /nfs/dbraw/zinc/41/82/81/491418281.db2.gz LVBBFMAMCAHPOO-INIZCTEOSA-N 2 2 362.499 0.906 10 0 FCAELP C[NH+](CC(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2)[C@H]1CCSC1 ZINC000573193778 491418284 /nfs/dbraw/zinc/41/82/84/491418284.db2.gz LVBBFMAMCAHPOO-INIZCTEOSA-N 2 2 362.499 0.906 10 0 FCAELP C[C@@H]([NH3+])CCC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000566175213 491423010 /nfs/dbraw/zinc/42/30/10/491423010.db2.gz JANFGRFJGPRLAC-CABCVRRESA-N 2 2 362.478 0.526 10 0 FCAELP C[C@@H]([NH3+])CCC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000566175213 491423011 /nfs/dbraw/zinc/42/30/11/491423011.db2.gz JANFGRFJGPRLAC-CABCVRRESA-N 2 2 362.478 0.526 10 0 FCAELP C[C@@H]([NH3+])CCC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000566175215 491423024 /nfs/dbraw/zinc/42/30/24/491423024.db2.gz JANFGRFJGPRLAC-HUUCEWRRSA-N 2 2 362.478 0.526 10 0 FCAELP C[C@@H]([NH3+])CCC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000566175215 491423025 /nfs/dbraw/zinc/42/30/25/491423025.db2.gz JANFGRFJGPRLAC-HUUCEWRRSA-N 2 2 362.478 0.526 10 0 FCAELP C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](C[NH2+]Cc2cc[nH]n2)CC3)CC1 ZINC000559135542 491455442 /nfs/dbraw/zinc/45/54/42/491455442.db2.gz XWNRKBZUTZLXQW-CQSZACIVSA-N 2 2 357.462 0.346 10 0 FCAELP CN(C)c1[nH+]cnc2c1cc(C(=O)NC[C@H]1CCCC[N@@H+]1CCO)n2C ZINC000566897131 491473698 /nfs/dbraw/zinc/47/36/98/491473698.db2.gz XCCCTOSHWMLGKG-CYBMUJFWSA-N 2 2 360.462 0.611 10 0 FCAELP CN(C)c1[nH+]cnc2c1cc(C(=O)NC[C@H]1CCCC[N@H+]1CCO)n2C ZINC000566897131 491473700 /nfs/dbraw/zinc/47/37/00/491473700.db2.gz XCCCTOSHWMLGKG-CYBMUJFWSA-N 2 2 360.462 0.611 10 0 FCAELP CN(C(=O)[C@H]1C[C@H]2C[C@H]2C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000668371238 493341414 /nfs/dbraw/zinc/34/14/14/493341414.db2.gz MKYLJSJXLHHQCB-FVQHAEBGSA-N 2 2 362.518 0.729 10 0 FCAELP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000567463738 491507515 /nfs/dbraw/zinc/50/75/15/491507515.db2.gz DQFQLHOKPODQFT-IKGGRYGDSA-N 2 2 354.495 0.338 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000567463738 491507518 /nfs/dbraw/zinc/50/75/18/491507518.db2.gz DQFQLHOKPODQFT-IKGGRYGDSA-N 2 2 354.495 0.338 10 0 FCAELP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000567572200 491514562 /nfs/dbraw/zinc/51/45/62/491514562.db2.gz HPIMGSHMRBFXQV-ZNMIVQPWSA-N 2 2 362.478 0.822 10 0 FCAELP CCN(C(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000668418531 493350142 /nfs/dbraw/zinc/35/01/42/493350142.db2.gz HFMJTYRNMHGESI-JYJNAYRXSA-N 2 2 368.522 0.543 10 0 FCAELP CCN(C(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000668418531 493350144 /nfs/dbraw/zinc/35/01/44/493350144.db2.gz HFMJTYRNMHGESI-JYJNAYRXSA-N 2 2 368.522 0.543 10 0 FCAELP Cc1cccc([C@@H](CNC(=O)N2CCOC3(C[NH2+]C3)C2)[NH+]2CCOCC2)c1 ZINC000561124801 491577064 /nfs/dbraw/zinc/57/70/64/491577064.db2.gz AVKOUJFYMPJAHD-GOSISDBHSA-N 2 2 374.485 0.752 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1=O ZINC000576092267 491580908 /nfs/dbraw/zinc/58/09/08/491580908.db2.gz BBVDMGYMOKVTIK-ZNMIVQPWSA-N 2 2 360.462 0.447 10 0 FCAELP CCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)[C@H]1CC[N@H+](C)C1 ZINC000668427240 493352369 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ZINC000615268691 492083394 /nfs/dbraw/zinc/08/33/94/492083394.db2.gz WZDBYIIIXFIXNG-RBUKOAKNSA-N 2 2 374.485 0.849 10 0 FCAELP C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000615268691 492083396 /nfs/dbraw/zinc/08/33/96/492083396.db2.gz WZDBYIIIXFIXNG-RBUKOAKNSA-N 2 2 374.485 0.849 10 0 FCAELP CN(CC[NH+]1CCCC1)C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000606707722 492127734 /nfs/dbraw/zinc/12/77/34/492127734.db2.gz TYHUVCQCPJSDNE-UHFFFAOYSA-N 2 2 365.522 0.668 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1COCCN1CC(F)(F)F ZINC000617764054 492190114 /nfs/dbraw/zinc/19/01/14/492190114.db2.gz HGZYHZPWPLEPIZ-CYBMUJFWSA-N 2 2 354.417 0.249 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1COCCN1CC(F)(F)F ZINC000617764054 492190117 /nfs/dbraw/zinc/19/01/17/492190117.db2.gz HGZYHZPWPLEPIZ-CYBMUJFWSA-N 2 2 354.417 0.249 10 0 FCAELP CC(C)[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)N1CCCS1(=O)=O ZINC000617765947 492190243 /nfs/dbraw/zinc/19/02/43/492190243.db2.gz XDAWXTAVDGWVNJ-HNNXBMFYSA-N 2 2 362.540 0.046 10 0 FCAELP CC(C)[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)N1CCCS1(=O)=O ZINC000617765947 492190245 /nfs/dbraw/zinc/19/02/45/492190245.db2.gz XDAWXTAVDGWVNJ-HNNXBMFYSA-N 2 2 362.540 0.046 10 0 FCAELP C[C@@H]1Oc2ccccc2N(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1=O ZINC000617768295 492190693 /nfs/dbraw/zinc/19/06/93/492190693.db2.gz XSEAROOARFMWLY-HNNXBMFYSA-N 2 2 362.474 0.800 10 0 FCAELP C[C@@H]1Oc2ccccc2N(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1=O ZINC000617768295 492190694 /nfs/dbraw/zinc/19/06/94/492190694.db2.gz XSEAROOARFMWLY-HNNXBMFYSA-N 2 2 362.474 0.800 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000617766622 492190812 /nfs/dbraw/zinc/19/08/12/492190812.db2.gz RGLWMMALNOQITG-KRWDZBQOSA-N 2 2 374.485 0.505 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000617766622 492190814 /nfs/dbraw/zinc/19/08/14/492190814.db2.gz RGLWMMALNOQITG-KRWDZBQOSA-N 2 2 374.485 0.505 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000617768536 492190854 /nfs/dbraw/zinc/19/08/54/492190854.db2.gz IGQSWUZDKAKAQU-UHFFFAOYSA-N 2 2 371.485 0.905 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000617768536 492190858 /nfs/dbraw/zinc/19/08/58/492190858.db2.gz IGQSWUZDKAKAQU-UHFFFAOYSA-N 2 2 371.485 0.905 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCn1cnc2ccccc2c1=O ZINC000617768297 492190923 /nfs/dbraw/zinc/19/09/23/492190923.db2.gz XTUAJUBEEXOAMG-UHFFFAOYSA-N 2 2 359.474 0.786 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCn1cnc2ccccc2c1=O ZINC000617768297 492190926 /nfs/dbraw/zinc/19/09/26/492190926.db2.gz XTUAJUBEEXOAMG-UHFFFAOYSA-N 2 2 359.474 0.786 10 0 FCAELP Cc1ccc2c(c1)C(=O)N(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C2=O ZINC000617768861 492191273 /nfs/dbraw/zinc/19/12/73/492191273.db2.gz XSOSIZSNDFTOCK-UHFFFAOYSA-N 2 2 360.458 0.591 10 0 FCAELP Cc1ccc2c(c1)C(=O)N(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)C2=O ZINC000617768861 492191274 /nfs/dbraw/zinc/19/12/74/492191274.db2.gz XSOSIZSNDFTOCK-UHFFFAOYSA-N 2 2 360.458 0.591 10 0 FCAELP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627453464 492301505 /nfs/dbraw/zinc/30/15/05/492301505.db2.gz OMDXXLQXRFPPPV-UHFFFAOYSA-N 2 2 374.485 0.263 10 0 FCAELP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000647563824 492310897 /nfs/dbraw/zinc/31/08/97/492310897.db2.gz ZLDVVBAZYQEOKO-UHFFFAOYSA-N 2 2 363.462 0.055 10 0 FCAELP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627476364 492314119 /nfs/dbraw/zinc/31/41/19/492314119.db2.gz DSZSZFAACBLDJO-DOTOQJQBSA-N 2 2 374.485 0.596 10 0 FCAELP Cc1cc(NCCNC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000627477025 492314952 /nfs/dbraw/zinc/31/49/52/492314952.db2.gz POBAPMLZWDFQIX-JSGCOSHPSA-N 2 2 362.478 0.693 10 0 FCAELP C[C@H](CNC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649306 492330640 /nfs/dbraw/zinc/33/06/40/492330640.db2.gz CCNIXMFDGPNVOG-ZBRFXRBCSA-N 2 2 368.522 0.725 10 0 FCAELP C[C@H](CNC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649306 492330641 /nfs/dbraw/zinc/33/06/41/492330641.db2.gz CCNIXMFDGPNVOG-ZBRFXRBCSA-N 2 2 368.522 0.725 10 0 FCAELP C[C@H](CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650319 492330720 /nfs/dbraw/zinc/33/07/20/492330720.db2.gz DLMSXQSLZGPZOT-KFWWJZLASA-N 2 2 369.510 0.075 10 0 FCAELP C[C@H](CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650319 492330721 /nfs/dbraw/zinc/33/07/21/492330721.db2.gz DLMSXQSLZGPZOT-KFWWJZLASA-N 2 2 369.510 0.075 10 0 FCAELP C[C@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654341 492334242 /nfs/dbraw/zinc/33/42/42/492334242.db2.gz XMCCEIJBTSHDSU-TWMKSMIVSA-N 2 2 370.538 0.971 10 0 FCAELP C[C@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654341 492334245 /nfs/dbraw/zinc/33/42/45/492334245.db2.gz XMCCEIJBTSHDSU-TWMKSMIVSA-N 2 2 370.538 0.971 10 0 FCAELP C[C@H](CNC(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654341 492334250 /nfs/dbraw/zinc/33/42/50/492334250.db2.gz XMCCEIJBTSHDSU-TWMKSMIVSA-N 2 2 370.538 0.971 10 0 FCAELP C[C@H](CNC(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654341 492334252 /nfs/dbraw/zinc/33/42/52/492334252.db2.gz XMCCEIJBTSHDSU-TWMKSMIVSA-N 2 2 370.538 0.971 10 0 FCAELP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000654657043 492334781 /nfs/dbraw/zinc/33/47/81/492334781.db2.gz PYWFZPFHDVNJHO-IYBDPMFKSA-N 2 2 351.495 0.276 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH2+]C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000642195243 492339969 /nfs/dbraw/zinc/33/99/69/492339969.db2.gz RRBFXYGXUDYNJD-HZPDHXFCSA-N 2 2 366.412 0.694 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH2+]C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000642195243 492339973 /nfs/dbraw/zinc/33/99/73/492339973.db2.gz RRBFXYGXUDYNJD-HZPDHXFCSA-N 2 2 366.412 0.694 10 0 FCAELP O[C@H](C[NH2+]C[C@H](O)CC1(O)CCOCC1)C[N@@H+]1CCc2ccccc2C1 ZINC000634719274 492363479 /nfs/dbraw/zinc/36/34/79/492363479.db2.gz RBCJIVOOEMVWDO-RTBURBONSA-N 2 2 364.486 0.288 10 0 FCAELP O[C@H](C[NH2+]C[C@H](O)CC1(O)CCOCC1)C[N@H+]1CCc2ccccc2C1 ZINC000634719274 492363482 /nfs/dbraw/zinc/36/34/82/492363482.db2.gz RBCJIVOOEMVWDO-RTBURBONSA-N 2 2 364.486 0.288 10 0 FCAELP C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000647823214 492366236 /nfs/dbraw/zinc/36/62/36/492366236.db2.gz FTDOPYNGXMHKAU-QZTJIDSGSA-N 2 2 373.501 0.525 10 0 FCAELP C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000647823214 492366241 /nfs/dbraw/zinc/36/62/41/492366241.db2.gz FTDOPYNGXMHKAU-QZTJIDSGSA-N 2 2 373.501 0.525 10 0 FCAELP O=C(NCC[NH2+]C1CC1)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000642919102 492404177 /nfs/dbraw/zinc/40/41/77/492404177.db2.gz OGAIVZIVVVREQJ-CQSZACIVSA-N 2 2 359.474 0.794 10 0 FCAELP C[C@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655489275 492446929 /nfs/dbraw/zinc/44/69/29/492446929.db2.gz NWMKSJOSPBMMAP-MCIONIFRSA-N 2 2 350.467 0.430 10 0 FCAELP C[C@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655489275 492446933 /nfs/dbraw/zinc/44/69/33/492446933.db2.gz NWMKSJOSPBMMAP-MCIONIFRSA-N 2 2 350.467 0.430 10 0 FCAELP C[C@@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487610 492447269 /nfs/dbraw/zinc/44/72/69/492447269.db2.gz IUFUBYDXLJFFGE-XQLPTFJDSA-N 2 2 350.467 0.258 10 0 FCAELP C[C@@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487610 492447273 /nfs/dbraw/zinc/44/72/73/492447273.db2.gz IUFUBYDXLJFFGE-XQLPTFJDSA-N 2 2 350.467 0.258 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c1 ZINC000643418200 492453432 /nfs/dbraw/zinc/45/34/32/492453432.db2.gz BZPXNDGQSGEGIS-GOSISDBHSA-N 2 2 369.469 0.812 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c1 ZINC000643418200 492453434 /nfs/dbraw/zinc/45/34/34/492453434.db2.gz BZPXNDGQSGEGIS-GOSISDBHSA-N 2 2 369.469 0.812 10 0 FCAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CCN(C)S3(=O)=O)CC2)CC1 ZINC000648933913 492475938 /nfs/dbraw/zinc/47/59/38/492475938.db2.gz YUCIAWVVPWCJNZ-INIZCTEOSA-N 2 2 372.535 0.039 10 0 FCAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3CCN(C)S3(=O)=O)CC2)CC1 ZINC000648933913 492475943 /nfs/dbraw/zinc/47/59/43/492475943.db2.gz YUCIAWVVPWCJNZ-INIZCTEOSA-N 2 2 372.535 0.039 10 0 FCAELP Cn1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C2CC2)n1 ZINC000643492735 492480425 /nfs/dbraw/zinc/48/04/25/492480425.db2.gz PWFNJMKWMCLWER-AWEZNQCLSA-N 2 2 374.489 0.521 10 0 FCAELP Cn1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C2CC2)n1 ZINC000643492735 492480428 /nfs/dbraw/zinc/48/04/28/492480428.db2.gz PWFNJMKWMCLWER-AWEZNQCLSA-N 2 2 374.489 0.521 10 0 FCAELP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655912462 492486909 /nfs/dbraw/zinc/48/69/09/492486909.db2.gz OICLQQHGUHWGLM-JTQLQIEISA-N 2 2 372.355 0.085 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H](C[NH3+])C(F)(F)F)CC2)CC1 ZINC000655924244 492489815 /nfs/dbraw/zinc/48/98/15/492489815.db2.gz IWBJBGGJWLECHG-CYBMUJFWSA-N 3 2 351.417 0.734 10 0 FCAELP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000649072603 492490188 /nfs/dbraw/zinc/49/01/88/492490188.db2.gz FYLQQVQIRLAFRX-GFCCVEGCSA-N 2 2 373.461 0.226 10 0 FCAELP CC(C)[C@@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000649076715 492492234 /nfs/dbraw/zinc/49/22/34/492492234.db2.gz BSESBFWHGFHNPM-TWMKSMIVSA-N 2 2 368.522 0.699 10 0 FCAELP CC(C)[C@@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000649076715 492492237 /nfs/dbraw/zinc/49/22/37/492492237.db2.gz BSESBFWHGFHNPM-TWMKSMIVSA-N 2 2 368.522 0.699 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)CC2 ZINC000643593758 492503959 /nfs/dbraw/zinc/50/39/59/492503959.db2.gz PERJZUDRAXOMRH-HZPDHXFCSA-N 2 2 359.474 0.914 10 0 FCAELP C[C@H](C(=O)NC[C@@]1(CO)COCC2(CCC2)[NH+]1C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000628577574 492521566 /nfs/dbraw/zinc/52/15/66/492521566.db2.gz TUOLEIVRJHMKBO-YYAJDYIMSA-N 2 2 353.507 0.980 10 0 FCAELP C[C@H](C(=O)NC[C@@]1(CO)COCC2(CCC2)[NH+]1C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000628577574 492521569 /nfs/dbraw/zinc/52/15/69/492521569.db2.gz TUOLEIVRJHMKBO-YYAJDYIMSA-N 2 2 353.507 0.980 10 0 FCAELP C[C@H](C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000628577574 492521573 /nfs/dbraw/zinc/52/15/73/492521573.db2.gz TUOLEIVRJHMKBO-YYAJDYIMSA-N 2 2 353.507 0.980 10 0 FCAELP C[C@H](C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000628577574 492521578 /nfs/dbraw/zinc/52/15/78/492521578.db2.gz TUOLEIVRJHMKBO-YYAJDYIMSA-N 2 2 353.507 0.980 10 0 FCAELP 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2 2 354.495 0.188 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N1CCC(CC[NH3+])CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656042927 492523525 /nfs/dbraw/zinc/52/35/25/492523525.db2.gz XCASCZDPUGDVTA-SOUVJXGZSA-N 2 2 354.495 0.188 10 0 FCAELP CCCN(C(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000656086456 492548019 /nfs/dbraw/zinc/54/80/19/492548019.db2.gz ZBENRWUXEHJMDX-MWDXBVQZSA-N 2 2 368.522 0.543 10 0 FCAELP CCCN(C(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000656086456 492548023 /nfs/dbraw/zinc/54/80/23/492548023.db2.gz ZBENRWUXEHJMDX-MWDXBVQZSA-N 2 2 368.522 0.543 10 0 FCAELP CCCN(C(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000656086456 492548027 /nfs/dbraw/zinc/54/80/27/492548027.db2.gz ZBENRWUXEHJMDX-MWDXBVQZSA-N 2 2 368.522 0.543 10 0 FCAELP CCCN(C(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000656086456 492548032 /nfs/dbraw/zinc/54/80/32/492548032.db2.gz 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FCAELP C[N@H+]1CCOC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000623873504 492603843 /nfs/dbraw/zinc/60/38/43/492603843.db2.gz JNJJKUUTJNCKHC-QZTJIDSGSA-N 2 2 362.474 0.383 10 0 FCAELP C[NH+]1CCOC[C@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000623873504 492603848 /nfs/dbraw/zinc/60/38/48/492603848.db2.gz JNJJKUUTJNCKHC-QZTJIDSGSA-N 2 2 362.474 0.383 10 0 FCAELP C[NH+]1CCOC[C@H]1CNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000623873504 492603851 /nfs/dbraw/zinc/60/38/51/492603851.db2.gz JNJJKUUTJNCKHC-QZTJIDSGSA-N 2 2 362.474 0.383 10 0 FCAELP C[N@H+](CC(=O)NC[C@H]1C[NH+](Cc2ccncc2)CCO1)[C@@H]1CCSC1 ZINC000629439449 492630938 /nfs/dbraw/zinc/63/09/38/492630938.db2.gz XBZOCEXLHPHLKY-SJORKVTESA-N 2 2 364.515 0.836 10 0 FCAELP C[N@@H+](CC(=O)NC[C@H]1C[NH+](Cc2ccncc2)CCO1)[C@@H]1CCSC1 ZINC000629439449 492630944 /nfs/dbraw/zinc/63/09/44/492630944.db2.gz XBZOCEXLHPHLKY-SJORKVTESA-N 2 2 364.515 0.836 10 0 FCAELP C[NH+](CC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)[C@@H]1CCSC1 ZINC000629439449 492630947 /nfs/dbraw/zinc/63/09/47/492630947.db2.gz XBZOCEXLHPHLKY-SJORKVTESA-N 2 2 364.515 0.836 10 0 FCAELP C[NH+](CC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)[C@@H]1CCSC1 ZINC000629439449 492630951 /nfs/dbraw/zinc/63/09/51/492630951.db2.gz XBZOCEXLHPHLKY-SJORKVTESA-N 2 2 364.515 0.836 10 0 FCAELP CCn1c2nnc(C[N@H+](C)CCOCC[NH2+]C)n2c2ccccc2c1=O ZINC000629567986 492647379 /nfs/dbraw/zinc/64/73/79/492647379.db2.gz HXWXQZNZIUSWMX-UHFFFAOYSA-N 2 2 358.446 0.732 10 0 FCAELP CCn1c2nnc(C[N@@H+](C)CCOCC[NH2+]C)n2c2ccccc2c1=O ZINC000629567986 492647384 /nfs/dbraw/zinc/64/73/84/492647384.db2.gz HXWXQZNZIUSWMX-UHFFFAOYSA-N 2 2 358.446 0.732 10 0 FCAELP C[NH+]1CCC(CNC(=O)N2C[C@H]3[C@H](CO)[C@H]3C2)([NH+]2CCCCC2)CC1 ZINC000644170734 492657173 /nfs/dbraw/zinc/65/71/73/492657173.db2.gz IAZNPRQFSUSJOG-FVQHAEBGSA-N 2 2 350.507 0.816 10 0 FCAELP Cc1cc(N2CCC(NC(=O)NC[C@@H]3COCC[N@H+]3C)CC2)nc(C)[nH+]1 ZINC000624742900 492679531 /nfs/dbraw/zinc/67/95/31/492679531.db2.gz ZHIYEYNDEKEUTD-MRXNPFEDSA-N 2 2 362.478 0.692 10 0 FCAELP Cc1cc(N2CCC(NC(=O)NC[C@@H]3COCC[N@@H+]3C)CC2)nc(C)[nH+]1 ZINC000624742900 492679535 /nfs/dbraw/zinc/67/95/35/492679535.db2.gz ZHIYEYNDEKEUTD-MRXNPFEDSA-N 2 2 362.478 0.692 10 0 FCAELP COC[C@@H]1C[C@@H](O)CN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000650933260 492685475 /nfs/dbraw/zinc/68/54/75/492685475.db2.gz FPEOSTPBCJJIJR-DLBZAZTESA-N 2 2 368.522 0.728 10 0 FCAELP C[NH+]1CCC(CNC(=O)NCC[C@]2(O)CCOC2)([NH+]2CCCCC2)CC1 ZINC000650932284 492685609 /nfs/dbraw/zinc/68/56/09/492685609.db2.gz CNWCHNNUBDMXEO-IBGZPJMESA-N 2 2 368.522 0.777 10 0 FCAELP C[NH+](C)CCN1CCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1=O ZINC000650987896 492691911 /nfs/dbraw/zinc/69/19/11/492691911.db2.gz MCOHJDPHCZOOCX-OAHLLOKOSA-N 2 2 360.462 0.076 10 0 FCAELP Cc1c[nH+]cn1CC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000624946603 492700661 /nfs/dbraw/zinc/70/06/61/492700661.db2.gz GHZGJYSGXROSSH-UHFFFAOYSA-N 2 2 356.430 0.442 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000657092756 492715631 /nfs/dbraw/zinc/71/56/31/492715631.db2.gz MBJZBPLSKWGFPZ-UHFFFAOYSA-N 2 2 355.464 0.430 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000657092756 492715634 /nfs/dbraw/zinc/71/56/34/492715634.db2.gz MBJZBPLSKWGFPZ-UHFFFAOYSA-N 2 2 355.464 0.430 10 0 FCAELP CN1c2ccc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)cc2CC1=O ZINC000657093272 492716141 /nfs/dbraw/zinc/71/61/41/492716141.db2.gz UYMRVZWJSCWGTE-UHFFFAOYSA-N 2 2 368.503 0.367 10 0 FCAELP CN1c2ccc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc2CC1=O ZINC000657093272 492716142 /nfs/dbraw/zinc/71/61/42/492716142.db2.gz UYMRVZWJSCWGTE-UHFFFAOYSA-N 2 2 368.503 0.367 10 0 FCAELP CC(C)C[N@H+](C)CCCNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000651193511 492720394 /nfs/dbraw/zinc/72/03/94/492720394.db2.gz ZACSCLSPEBAGDY-INIZCTEOSA-N 2 2 367.538 0.959 10 0 FCAELP CC(C)C[N@@H+](C)CCCNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000651193511 492720398 /nfs/dbraw/zinc/72/03/98/492720398.db2.gz ZACSCLSPEBAGDY-INIZCTEOSA-N 2 2 367.538 0.959 10 0 FCAELP c1nnn(Cc2ccccc2)c1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000644386912 492734429 /nfs/dbraw/zinc/73/44/29/492734429.db2.gz SDCHJKLVJLQAGW-LJQANCHMSA-N 2 2 370.501 0.823 10 0 FCAELP CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)CC1 ZINC000625354609 492760904 /nfs/dbraw/zinc/76/09/04/492760904.db2.gz UNDMSCHYLLUZEQ-KRWDZBQOSA-N 2 2 374.485 0.550 10 0 FCAELP CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)CC1 ZINC000625354609 492760909 /nfs/dbraw/zinc/76/09/09/492760909.db2.gz UNDMSCHYLLUZEQ-KRWDZBQOSA-N 2 2 374.485 0.550 10 0 FCAELP O=C(N1CCC(CC[NH+]2CCOCC2)CC1)C1([NH+]2CCOCC2)CC1 ZINC000630860322 492779614 /nfs/dbraw/zinc/77/96/14/492779614.db2.gz MRNMRVQGWGWQCK-UHFFFAOYSA-N 2 2 351.491 0.812 10 0 FCAELP CN(C(=O)CC1CSC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000630942349 492788260 /nfs/dbraw/zinc/78/82/60/492788260.db2.gz JYIFPEDBYHAGIZ-UHFFFAOYSA-N 2 2 368.547 0.436 10 0 FCAELP Cc1cc(C[NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)on1 ZINC000631048396 492794973 /nfs/dbraw/zinc/79/49/73/492794973.db2.gz VJXKRUQMRNKAPZ-UHFFFAOYSA-N 2 2 365.459 0.620 10 0 FCAELP Cc1cc(N2CCN(C(=O)C[N@@H+]3C[C@H]4[C@H](CO)[C@H]4C3)CC2)nc(C(C)C)[nH+]1 ZINC000644714717 492800830 /nfs/dbraw/zinc/80/08/30/492800830.db2.gz AVXSEJSJWUZXGF-FVQHAEBGSA-N 2 2 373.501 0.727 10 0 FCAELP Cc1cc(N2CCN(C(=O)C[N@H+]3C[C@H]4[C@H](CO)[C@H]4C3)CC2)nc(C(C)C)[nH+]1 ZINC000644714717 492800834 /nfs/dbraw/zinc/80/08/34/492800834.db2.gz AVXSEJSJWUZXGF-FVQHAEBGSA-N 2 2 373.501 0.727 10 0 FCAELP O=C(C[NH+]1CCC(N2CCOCC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000625553919 492818087 /nfs/dbraw/zinc/81/80/87/492818087.db2.gz UAUQCUKTMPJWMP-UHFFFAOYSA-N 2 2 350.507 0.526 10 0 FCAELP C[NH+](C)[C@H](CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)Cc1ccccc1 ZINC000631664399 492831612 /nfs/dbraw/zinc/83/16/12/492831612.db2.gz SJOMUSIVBVHNAI-IRXDYDNUSA-N 2 2 355.504 0.409 10 0 FCAELP C[NH+](C)[C@H](CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)Cc1ccccc1 ZINC000631664399 492831617 /nfs/dbraw/zinc/83/16/17/492831617.db2.gz SJOMUSIVBVHNAI-IRXDYDNUSA-N 2 2 355.504 0.409 10 0 FCAELP COc1cccc([C@H](CNS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)[NH+](C)C)c1 ZINC000631665718 492832504 /nfs/dbraw/zinc/83/25/04/492832504.db2.gz YRGJRSZDNNAQOM-IRXDYDNUSA-N 2 2 371.503 0.548 10 0 FCAELP COc1cccc([C@H](CNS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)[NH+](C)C)c1 ZINC000631665718 492832508 /nfs/dbraw/zinc/83/25/08/492832508.db2.gz YRGJRSZDNNAQOM-IRXDYDNUSA-N 2 2 371.503 0.548 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)CC[N@@H+]1C ZINC000631739918 492845886 /nfs/dbraw/zinc/84/58/86/492845886.db2.gz HIZBYNWXIZWIFT-IXDOHACOSA-N 2 2 350.507 0.872 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)CC[N@H+]1C ZINC000631739918 492845888 /nfs/dbraw/zinc/84/58/88/492845888.db2.gz HIZBYNWXIZWIFT-IXDOHACOSA-N 2 2 350.507 0.872 10 0 FCAELP COc1ccc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cn1 ZINC000658334824 492861102 /nfs/dbraw/zinc/86/11/02/492861102.db2.gz FOJGHKGUZGKYLL-ZDUSSCGKSA-N 2 2 351.451 0.417 10 0 FCAELP COc1ccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000658334824 492861106 /nfs/dbraw/zinc/86/11/06/492861106.db2.gz FOJGHKGUZGKYLL-ZDUSSCGKSA-N 2 2 351.451 0.417 10 0 FCAELP Nc1nc(N2CC[NH+](CC(=O)N3CCCCC3)CC2)c2c([nH+]1)CCCC2 ZINC000645104573 492869603 /nfs/dbraw/zinc/86/96/03/492869603.db2.gz UKZPIZDQJANIOG-UHFFFAOYSA-N 2 2 358.490 1.072 10 0 FCAELP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)N1CCC(C(=O)N2CCCC2)CC1 ZINC000631886486 492870015 /nfs/dbraw/zinc/87/00/15/492870015.db2.gz IEYIWUPSKWZRIH-MSOLQXFVSA-N 2 2 362.518 0.921 10 0 FCAELP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)N1CCC(C(=O)N2CCCC2)CC1 ZINC000631886486 492870021 /nfs/dbraw/zinc/87/00/21/492870021.db2.gz IEYIWUPSKWZRIH-MSOLQXFVSA-N 2 2 362.518 0.921 10 0 FCAELP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000631909911 492876461 /nfs/dbraw/zinc/87/64/61/492876461.db2.gz SIYNTDNUJRKAJW-QGZVFWFLSA-N 2 2 369.487 0.001 10 0 FCAELP CCOC1CC(CNc2nc(N)[nH+]c3c2CCCC3)([NH+]2CCOCC2)C1 ZINC000645225400 492880698 /nfs/dbraw/zinc/88/06/98/492880698.db2.gz FRBJYBPWZVFMGK-UHFFFAOYSA-N 2 2 361.490 1.041 10 0 FCAELP COc1ccc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(C)c1 ZINC000658426036 492884626 /nfs/dbraw/zinc/88/46/26/492884626.db2.gz FOAWBELYHSTZFI-UHFFFAOYSA-N 2 2 350.463 0.942 10 0 FCAELP COc1ccc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(C)c1 ZINC000658426036 492884629 /nfs/dbraw/zinc/88/46/29/492884629.db2.gz FOAWBELYHSTZFI-UHFFFAOYSA-N 2 2 350.463 0.942 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2nccnc2c1 ZINC000658427831 492885493 /nfs/dbraw/zinc/88/54/93/492885493.db2.gz QQUYOXQNGFPYLX-UHFFFAOYSA-N 2 2 358.446 0.568 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2nccnc2c1 ZINC000658427831 492885494 /nfs/dbraw/zinc/88/54/94/492885494.db2.gz QQUYOXQNGFPYLX-UHFFFAOYSA-N 2 2 358.446 0.568 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000658427954 492885558 /nfs/dbraw/zinc/88/55/58/492885558.db2.gz GFROFNZGCZWHBJ-UHFFFAOYSA-N 2 2 372.473 0.811 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000658427954 492885563 /nfs/dbraw/zinc/88/55/63/492885563.db2.gz GFROFNZGCZWHBJ-UHFFFAOYSA-N 2 2 372.473 0.811 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(cc[nH]c2=O)c1 ZINC000658427315 492885641 /nfs/dbraw/zinc/88/56/41/492885641.db2.gz IWTOMINDQXYULE-UHFFFAOYSA-N 2 2 373.457 0.466 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(cc[nH]c2=O)c1 ZINC000658427315 492885645 /nfs/dbraw/zinc/88/56/45/492885645.db2.gz IWTOMINDQXYULE-UHFFFAOYSA-N 2 2 373.457 0.466 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000658429031 492886489 /nfs/dbraw/zinc/88/64/89/492886489.db2.gz QYXSMWFAEQKZNL-UHFFFAOYSA-N 2 2 373.461 0.206 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000658429031 492886491 /nfs/dbraw/zinc/88/64/91/492886491.db2.gz QYXSMWFAEQKZNL-UHFFFAOYSA-N 2 2 373.461 0.206 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1-n1ccnn1 ZINC000658428193 492886532 /nfs/dbraw/zinc/88/65/32/492886532.db2.gz SQPGOGAKFXICBJ-UHFFFAOYSA-N 2 2 373.461 0.206 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1-n1ccnn1 ZINC000658428193 492886534 /nfs/dbraw/zinc/88/65/34/492886534.db2.gz SQPGOGAKFXICBJ-UHFFFAOYSA-N 2 2 373.461 0.206 10 0 FCAELP Cc1cc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc(C(N)=O)c1 ZINC000658428658 492886869 /nfs/dbraw/zinc/88/68/69/492886869.db2.gz NJXILSDLMQNNKX-UHFFFAOYSA-N 2 2 363.462 0.032 10 0 FCAELP Cc1cc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc(C(N)=O)c1 ZINC000658428658 492886874 /nfs/dbraw/zinc/88/68/74/492886874.db2.gz NJXILSDLMQNNKX-UHFFFAOYSA-N 2 2 363.462 0.032 10 0 FCAELP COCC[NH2+]C1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000652152612 492888533 /nfs/dbraw/zinc/88/85/33/492888533.db2.gz RRJHQQUOGXVWIK-QGZVFWFLSA-N 3 2 367.538 0.565 10 0 FCAELP COCC[NH2+]C1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000652152612 492888537 /nfs/dbraw/zinc/88/85/37/492888537.db2.gz RRJHQQUOGXVWIK-QGZVFWFLSA-N 3 2 367.538 0.565 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)NCCC2CC[NH2+]CC2)C1=O ZINC000652177324 492890702 /nfs/dbraw/zinc/89/07/02/492890702.db2.gz GVFFNJBSTHOVKX-OAHLLOKOSA-N 2 2 362.478 0.600 10 0 FCAELP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000631935469 492891342 /nfs/dbraw/zinc/89/13/42/492891342.db2.gz INJDCLSLRPTHMH-CABCVRRESA-N 2 2 359.879 0.605 10 0 FCAELP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000631935470 492891601 /nfs/dbraw/zinc/89/16/01/492891601.db2.gz INJDCLSLRPTHMH-GJZGRUSLSA-N 2 2 359.879 0.605 10 0 FCAELP O=C(NCc1ccc[nH+]c1N1CCOCC1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000645372882 492899179 /nfs/dbraw/zinc/89/91/79/492899179.db2.gz FXAWENJGEFWRRH-OAHLLOKOSA-N 2 2 371.445 0.364 10 0 FCAELP CN(C(=O)C1CS(=O)(=O)C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000632101394 492929319 /nfs/dbraw/zinc/92/93/19/492929319.db2.gz VRPAKVQLAHFKNC-IAGOWNOFSA-N 2 2 371.547 0.827 10 0 FCAELP CN(C(=O)C1CS(=O)(=O)C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000632101394 492929322 /nfs/dbraw/zinc/92/93/22/492929322.db2.gz VRPAKVQLAHFKNC-IAGOWNOFSA-N 2 2 371.547 0.827 10 0 FCAELP COC[C@]1(C)C[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CCO1 ZINC000626170989 492942048 /nfs/dbraw/zinc/94/20/48/492942048.db2.gz SNJKUBKGOKDREX-AEFFLSMTSA-N 2 2 357.495 0.197 10 0 FCAELP COC[C@]1(C)C[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CCO1 ZINC000626170989 492942049 /nfs/dbraw/zinc/94/20/49/492942049.db2.gz SNJKUBKGOKDREX-AEFFLSMTSA-N 2 2 357.495 0.197 10 0 FCAELP COC[C@]1(C)C[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CCO1 ZINC000626170989 492942053 /nfs/dbraw/zinc/94/20/53/492942053.db2.gz SNJKUBKGOKDREX-AEFFLSMTSA-N 2 2 357.495 0.197 10 0 FCAELP COC[C@]1(C)C[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CCO1 ZINC000626170989 492942057 /nfs/dbraw/zinc/94/20/57/492942057.db2.gz SNJKUBKGOKDREX-AEFFLSMTSA-N 2 2 357.495 0.197 10 0 FCAELP Cc1ccc(CNS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)c(N2CCCC2)[nH+]1 ZINC000632196671 492948781 /nfs/dbraw/zinc/94/87/81/492948781.db2.gz GCTBQGYLCJESOU-INIZCTEOSA-N 2 2 368.503 0.740 10 0 FCAELP Cc1ccc(CNS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)c(N2CCCC2)[nH+]1 ZINC000632196671 492948785 /nfs/dbraw/zinc/94/87/85/492948785.db2.gz GCTBQGYLCJESOU-INIZCTEOSA-N 2 2 368.503 0.740 10 0 FCAELP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658570939 492960672 /nfs/dbraw/zinc/96/06/72/492960672.db2.gz SFRYPNSGTWJDNK-INIZCTEOSA-N 2 2 367.538 0.071 10 0 FCAELP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658570939 492960676 /nfs/dbraw/zinc/96/06/76/492960676.db2.gz SFRYPNSGTWJDNK-INIZCTEOSA-N 2 2 367.538 0.071 10 0 FCAELP CCO[C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000652730591 493008289 /nfs/dbraw/zinc/00/82/89/493008289.db2.gz HYCJKYRPVYXQHE-QZTJIDSGSA-N 2 2 374.485 0.153 10 0 FCAELP C[NH+](C)CCN1CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1=O ZINC000652734859 493011294 /nfs/dbraw/zinc/01/12/94/493011294.db2.gz YJOSEMZBLYSFHA-UHFFFAOYSA-N 2 2 369.469 0.706 10 0 FCAELP CC(C)[C@H](C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000652735458 493012545 /nfs/dbraw/zinc/01/25/45/493012545.db2.gz KXNFNOQQENFUSM-SOLBZPMBSA-N 2 2 368.522 0.353 10 0 FCAELP CC(C)[C@H](C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000652735458 493012546 /nfs/dbraw/zinc/01/25/46/493012546.db2.gz KXNFNOQQENFUSM-SOLBZPMBSA-N 2 2 368.522 0.353 10 0 FCAELP CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)c[nH+]1 ZINC000626792265 493019655 /nfs/dbraw/zinc/01/96/55/493019655.db2.gz NIHUQHKGAVJXIO-UHFFFAOYSA-N 2 2 369.425 0.885 10 0 FCAELP C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000652813878 493023132 /nfs/dbraw/zinc/02/31/32/493023132.db2.gz MWSSUBXXLIJPMK-QRVBRYPASA-N 2 2 359.470 0.819 10 0 FCAELP C[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000652813878 493023135 /nfs/dbraw/zinc/02/31/35/493023135.db2.gz MWSSUBXXLIJPMK-QRVBRYPASA-N 2 2 359.470 0.819 10 0 FCAELP C[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000652813878 493023138 /nfs/dbraw/zinc/02/31/38/493023138.db2.gz MWSSUBXXLIJPMK-QRVBRYPASA-N 2 2 359.470 0.819 10 0 FCAELP C[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000652813878 493023141 /nfs/dbraw/zinc/02/31/41/493023141.db2.gz MWSSUBXXLIJPMK-QRVBRYPASA-N 2 2 359.470 0.819 10 0 FCAELP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000658742151 493037904 /nfs/dbraw/zinc/03/79/04/493037904.db2.gz JPOWWMGRXYHJBD-UHFFFAOYSA-N 2 2 373.501 0.945 10 0 FCAELP O=C(c1ccccc1C[NH+]1CCOCC1)N1CC(C[NH+]2CCOCC2)C1 ZINC000646356799 493043550 /nfs/dbraw/zinc/04/35/50/493043550.db2.gz HIDMNWCERYSGRW-UHFFFAOYSA-N 2 2 359.470 0.923 10 0 FCAELP C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C[NH2+]1 ZINC000626887468 493051068 /nfs/dbraw/zinc/05/10/68/493051068.db2.gz MNAMETIZYWMSDE-ZBFHGGJFSA-N 2 2 360.458 0.714 10 0 FCAELP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)Nc2ccc(N)[nH+]c2)CC1 ZINC000626900051 493057321 /nfs/dbraw/zinc/05/73/21/493057321.db2.gz VTWVOBUXVNYORR-UHFFFAOYSA-N 2 2 361.446 0.706 10 0 FCAELP CCN(C(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000658803384 493061634 /nfs/dbraw/zinc/06/16/34/493061634.db2.gz SUDIUMPXQRZHLK-INIZCTEOSA-N 2 2 354.495 0.108 10 0 FCAELP CCN(C(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000658803384 493061637 /nfs/dbraw/zinc/06/16/37/493061637.db2.gz SUDIUMPXQRZHLK-INIZCTEOSA-N 2 2 354.495 0.108 10 0 FCAELP [NH3+]C1(CNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCOCC1 ZINC000626921347 493063373 /nfs/dbraw/zinc/06/33/73/493063373.db2.gz XODGGEHRXBCUML-KRWDZBQOSA-N 2 2 362.474 0.695 10 0 FCAELP [NH3+]C1(CNC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCOCC1 ZINC000626921347 493063376 /nfs/dbraw/zinc/06/33/76/493063376.db2.gz XODGGEHRXBCUML-KRWDZBQOSA-N 2 2 362.474 0.695 10 0 FCAELP C[C@@H]1CN(c2ccc(CNC(=O)NCCOCCC[NH3+])c[nH+]2)C[C@@H](C)O1 ZINC000626931669 493066584 /nfs/dbraw/zinc/06/65/84/493066584.db2.gz KJCDWFUCIXFRAJ-HUUCEWRRSA-N 2 2 365.478 0.860 10 0 FCAELP Cc1ccc(C[NH+]2CC[C@@H](NS(=O)(=O)C[C@@H]3C[N@H+](C)CCO3)C2)cc1 ZINC000632706815 493068045 /nfs/dbraw/zinc/06/80/45/493068045.db2.gz SSKNHGSBTZSASH-MSOLQXFVSA-N 2 2 367.515 0.819 10 0 FCAELP Cc1ccc(C[NH+]2CC[C@@H](NS(=O)(=O)C[C@@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC000632706815 493068049 /nfs/dbraw/zinc/06/80/49/493068049.db2.gz SSKNHGSBTZSASH-MSOLQXFVSA-N 2 2 367.515 0.819 10 0 FCAELP Cc1ccc(C[N@H+]2CC[C@@H](NS(=O)(=O)C[C@@H]3C[NH+](C)CCO3)C2)cc1 ZINC000632706815 493068051 /nfs/dbraw/zinc/06/80/51/493068051.db2.gz SSKNHGSBTZSASH-MSOLQXFVSA-N 2 2 367.515 0.819 10 0 FCAELP Cc1ccc(C[N@@H+]2CC[C@@H](NS(=O)(=O)C[C@@H]3C[NH+](C)CCO3)C2)cc1 ZINC000632706815 493068054 /nfs/dbraw/zinc/06/80/54/493068054.db2.gz SSKNHGSBTZSASH-MSOLQXFVSA-N 2 2 367.515 0.819 10 0 FCAELP C[NH2+]CCOCCN(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000626958063 493070243 /nfs/dbraw/zinc/07/02/43/493070243.db2.gz KEVFMQSEZCZKPY-UHFFFAOYSA-N 3 2 355.527 0.422 10 0 FCAELP C[C@@H]1CC[C@H](NC(=O)NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)C[NH2+]1 ZINC000626971068 493072074 /nfs/dbraw/zinc/07/20/74/493072074.db2.gz XYALPBLFPSAOKE-CJNGLKHVSA-N 2 2 374.489 0.723 10 0 FCAELP CCN(C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000658828388 493076259 /nfs/dbraw/zinc/07/62/59/493076259.db2.gz CUMKNVHGBXLKDM-MRXNPFEDSA-N 2 2 359.474 0.673 10 0 FCAELP CCN(C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000658828388 493076263 /nfs/dbraw/zinc/07/62/63/493076263.db2.gz CUMKNVHGBXLKDM-MRXNPFEDSA-N 2 2 359.474 0.673 10 0 FCAELP O=C(NCCC1CC[NH2+]CC1)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000627111777 493089027 /nfs/dbraw/zinc/08/90/27/493089027.db2.gz UMZMRDMFQPPBIX-GOSISDBHSA-N 2 2 361.490 0.971 10 0 FCAELP O=C(NCCC1CC[NH2+]CC1)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000627111777 493089031 /nfs/dbraw/zinc/08/90/31/493089031.db2.gz UMZMRDMFQPPBIX-GOSISDBHSA-N 2 2 361.490 0.971 10 0 FCAELP [NH3+]CC1(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCCCC1 ZINC000632914905 493095835 /nfs/dbraw/zinc/09/58/35/493095835.db2.gz YBMLGXKRGUCVMC-UHFFFAOYSA-N 2 2 350.467 0.998 10 0 FCAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cn3nc(C)oc3=O)CC2)CC1 ZINC000640416827 493104831 /nfs/dbraw/zinc/10/48/31/493104831.db2.gz IOCOLYMLBBMUIS-UHFFFAOYSA-N 2 2 351.451 0.163 10 0 FCAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Cn3nc(C)oc3=O)CC2)CC1 ZINC000640416827 493104834 /nfs/dbraw/zinc/10/48/34/493104834.db2.gz IOCOLYMLBBMUIS-UHFFFAOYSA-N 2 2 351.451 0.163 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)N3CCC([N@@H+]4CC[C@H](O)C4)CC3)ccc2[nH+]1 ZINC000658902841 493106596 /nfs/dbraw/zinc/10/65/96/493106596.db2.gz GXCLLOFOCXLCPY-INIZCTEOSA-N 2 2 371.441 0.639 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)N3CCC([N@H+]4CC[C@H](O)C4)CC3)ccc2[nH+]1 ZINC000658902841 493106599 /nfs/dbraw/zinc/10/65/99/493106599.db2.gz GXCLLOFOCXLCPY-INIZCTEOSA-N 2 2 371.441 0.639 10 0 FCAELP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NCCOCCC[NH3+])CC1 ZINC000627211816 493108144 /nfs/dbraw/zinc/10/81/44/493108144.db2.gz PGKVOKKNTXOXSJ-INIZCTEOSA-N 2 2 369.510 0.080 10 0 FCAELP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000633088359 493120114 /nfs/dbraw/zinc/12/01/14/493120114.db2.gz QVABRYPSRBURAP-SJORKVTESA-N 2 2 366.506 0.430 10 0 FCAELP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000659024483 493127507 /nfs/dbraw/zinc/12/75/07/493127507.db2.gz DUPQOAQCIHZEKP-GJZGRUSLSA-N 2 2 373.423 0.991 10 0 FCAELP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000659024483 493127510 /nfs/dbraw/zinc/12/75/10/493127510.db2.gz DUPQOAQCIHZEKP-GJZGRUSLSA-N 2 2 373.423 0.991 10 0 FCAELP C[N@@H+]1C[C@H]2CCN(C(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)[C@@H]2C1 ZINC000646937602 493128762 /nfs/dbraw/zinc/12/87/62/493128762.db2.gz OTTGMDUMIFTMKK-IAGOWNOFSA-N 2 2 371.485 0.673 10 0 FCAELP C[N@H+]1C[C@H]2CCN(C(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)[C@@H]2C1 ZINC000646937602 493128766 /nfs/dbraw/zinc/12/87/66/493128766.db2.gz OTTGMDUMIFTMKK-IAGOWNOFSA-N 2 2 371.485 0.673 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)C[C@H]1C[NH3+] ZINC000633110088 493130688 /nfs/dbraw/zinc/13/06/88/493130688.db2.gz HGQXLAPLTUGOGS-KBAYOESNSA-N 2 2 358.486 0.425 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)C[C@H]1C[NH3+] ZINC000633110088 493130692 /nfs/dbraw/zinc/13/06/92/493130692.db2.gz HGQXLAPLTUGOGS-KBAYOESNSA-N 2 2 358.486 0.425 10 0 FCAELP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C[NH2+]1 ZINC000627301975 493142280 /nfs/dbraw/zinc/14/22/80/493142280.db2.gz UOIUERJBGQOCRK-CRAIPNDOSA-N 2 2 374.485 0.392 10 0 FCAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000627312922 493146612 /nfs/dbraw/zinc/14/66/12/493146612.db2.gz NOGNMISDIHTQDL-JJXSEGSLSA-N 2 2 352.479 0.003 10 0 FCAELP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC000627314347 493147610 /nfs/dbraw/zinc/14/76/10/493147610.db2.gz ADGLJHGNURXECL-BBRMVZONSA-N 2 2 371.441 0.463 10 0 FCAELP O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000627313121 493147772 /nfs/dbraw/zinc/14/77/72/493147772.db2.gz VXFDWYQOFSHUBY-PMPSAXMXSA-N 2 2 364.490 0.147 10 0 FCAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000627317195 493148976 /nfs/dbraw/zinc/14/89/76/493148976.db2.gz IFVHJIHUPRBWDP-NILFDRSVSA-N 2 2 359.405 0.631 10 0 FCAELP [NH3+]CCCOCCNC(=O)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000627324548 493153934 /nfs/dbraw/zinc/15/39/34/493153934.db2.gz FETRTCLTHREXDL-UHFFFAOYSA-N 2 2 353.810 0.086 10 0 FCAELP O=C(NCc1ccc(N2CCCC2)[nH+]c1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627338374 493160885 /nfs/dbraw/zinc/16/08/85/493160885.db2.gz DCKLOXNIYSOAIE-OAHLLOKOSA-N 2 2 357.458 0.699 10 0 FCAELP NS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(F)c1 ZINC000647193308 493176698 /nfs/dbraw/zinc/17/66/98/493176698.db2.gz UTVCMHJHDYBNGY-IAGOWNOFSA-N 2 2 371.478 0.941 10 0 FCAELP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)cn1 ZINC000633694967 493182733 /nfs/dbraw/zinc/18/27/33/493182733.db2.gz WCIMEWAMVJCJMF-GOSISDBHSA-N 2 2 372.473 0.471 10 0 FCAELP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)cn1 ZINC000633694967 493182736 /nfs/dbraw/zinc/18/27/36/493182736.db2.gz WCIMEWAMVJCJMF-GOSISDBHSA-N 2 2 372.473 0.471 10 0 FCAELP CN(C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000659364708 493197712 /nfs/dbraw/zinc/19/77/12/493197712.db2.gz OLNUQHHBKXVLHJ-IAGOWNOFSA-N 2 2 364.490 0.005 10 0 FCAELP CN(C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000659364708 493197716 /nfs/dbraw/zinc/19/77/16/493197716.db2.gz OLNUQHHBKXVLHJ-IAGOWNOFSA-N 2 2 364.490 0.005 10 0 FCAELP COCC[NH2+]CCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000659526919 493205896 /nfs/dbraw/zinc/20/58/96/493205896.db2.gz GXOPZHMTHXMNJT-SFHVURJKSA-N 2 2 363.506 0.338 10 0 FCAELP COCC[NH2+]CCNC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000659526919 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CN(C)c1noc(C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000662336751 493508041 /nfs/dbraw/zinc/50/80/41/493508041.db2.gz GJPAWWQDDRGJPL-ZDUSSCGKSA-N 2 2 360.466 0.648 10 0 FCAELP C[N@@H+]1CCN(C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)[C@H](C[NH3+])C1 ZINC000669528962 493508992 /nfs/dbraw/zinc/50/89/92/493508992.db2.gz XVFITGQJWZUBJG-QWHCGFSZSA-N 2 2 352.870 0.598 10 0 FCAELP C[N@H+]1CCN(C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)[C@H](C[NH3+])C1 ZINC000669528962 493508994 /nfs/dbraw/zinc/50/89/94/493508994.db2.gz XVFITGQJWZUBJG-QWHCGFSZSA-N 2 2 352.870 0.598 10 0 FCAELP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000662407862 493513520 /nfs/dbraw/zinc/51/35/20/493513520.db2.gz KEUGBDMZUSDIRO-ZDUSSCGKSA-N 2 2 355.401 0.852 10 0 FCAELP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)cn1 ZINC000676094570 493523311 /nfs/dbraw/zinc/52/33/11/493523311.db2.gz WPXWPHZEAXETLG-UHFFFAOYSA-N 2 2 370.457 0.515 10 0 FCAELP C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)cn1 ZINC000676100103 493524991 /nfs/dbraw/zinc/52/49/91/493524991.db2.gz LGJDNDICFSULLW-UHFFFAOYSA-N 2 2 355.402 0.347 10 0 FCAELP [NH3+]C1(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC2(CCC2)C1 ZINC000662704229 493533344 /nfs/dbraw/zinc/53/33/44/493533344.db2.gz WZTCWPJWIJWZSR-UHFFFAOYSA-N 2 2 371.485 0.898 10 0 FCAELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000662741167 493536117 /nfs/dbraw/zinc/53/61/17/493536117.db2.gz DDRONUWOKKKPTO-CVEARBPZSA-N 2 2 352.429 0.916 10 0 FCAELP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000662741167 493536119 /nfs/dbraw/zinc/53/61/19/493536119.db2.gz DDRONUWOKKKPTO-CVEARBPZSA-N 2 2 352.429 0.916 10 0 FCAELP O=C1C[C@H]([NH2+][C@H]2CCN(c3ccccc3)C2)CN1CC[NH+]1CCOCC1 ZINC000676418314 493550935 /nfs/dbraw/zinc/55/09/35/493550935.db2.gz LYXCZHTUGSCDMP-ROUUACIJSA-N 2 2 358.486 0.788 10 0 FCAELP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000662939820 493557100 /nfs/dbraw/zinc/55/71/00/493557100.db2.gz QAQVUJQFXSWQTM-UHFFFAOYSA-N 2 2 359.474 0.852 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC[N@@H+]1Cc1ccccc1 ZINC000662945623 493558592 /nfs/dbraw/zinc/55/85/92/493558592.db2.gz GDCGBKDLNGVKRH-FVWXCPNNSA-N 2 2 356.470 0.669 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC[N@H+]1Cc1ccccc1 ZINC000662945623 493558595 /nfs/dbraw/zinc/55/85/95/493558595.db2.gz GDCGBKDLNGVKRH-FVWXCPNNSA-N 2 2 356.470 0.669 10 0 FCAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000676634138 493563850 /nfs/dbraw/zinc/56/38/50/493563850.db2.gz SVACTAXDVZJYMS-QZTJIDSGSA-N 2 2 369.531 0.741 10 0 FCAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000676634138 493563852 /nfs/dbraw/zinc/56/38/52/493563852.db2.gz SVACTAXDVZJYMS-QZTJIDSGSA-N 2 2 369.531 0.741 10 0 FCAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000676634138 493563855 /nfs/dbraw/zinc/56/38/55/493563855.db2.gz SVACTAXDVZJYMS-QZTJIDSGSA-N 2 2 369.531 0.741 10 0 FCAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000676634138 493563856 /nfs/dbraw/zinc/56/38/56/493563856.db2.gz SVACTAXDVZJYMS-QZTJIDSGSA-N 2 2 369.531 0.741 10 0 FCAELP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2CCc3c(cccc3C(N)=O)C2)C1=O ZINC000663223555 493578382 /nfs/dbraw/zinc/57/83/82/493578382.db2.gz SAEKAMPWUUVMKN-MRXNPFEDSA-N 2 2 358.442 0.223 10 0 FCAELP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2CCc3c(cccc3C(N)=O)C2)C1=O ZINC000663223555 493578384 /nfs/dbraw/zinc/57/83/84/493578384.db2.gz SAEKAMPWUUVMKN-MRXNPFEDSA-N 2 2 358.442 0.223 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)CC2 ZINC000670608875 493580800 /nfs/dbraw/zinc/58/08/00/493580800.db2.gz KBFOJPPUANNNMZ-QGZVFWFLSA-N 2 2 369.469 0.823 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000663900244 493624405 /nfs/dbraw/zinc/62/44/05/493624405.db2.gz SDYJZBWSYDOXSA-INIZCTEOSA-N 3 2 357.543 0.668 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000663900244 493624406 /nfs/dbraw/zinc/62/44/06/493624406.db2.gz SDYJZBWSYDOXSA-INIZCTEOSA-N 3 2 357.543 0.668 10 0 FCAELP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000663900244 493624408 /nfs/dbraw/zinc/62/44/08/493624408.db2.gz SDYJZBWSYDOXSA-INIZCTEOSA-N 3 2 357.543 0.668 10 0 FCAELP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000663900244 493624410 /nfs/dbraw/zinc/62/44/10/493624410.db2.gz SDYJZBWSYDOXSA-INIZCTEOSA-N 3 2 357.543 0.668 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCCN1CCOC(C)(C)C1 ZINC000663900244 493624412 /nfs/dbraw/zinc/62/44/12/493624412.db2.gz SDYJZBWSYDOXSA-INIZCTEOSA-N 2 2 357.543 0.668 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCCN1CCOC(C)(C)C1 ZINC000663900244 493624413 /nfs/dbraw/zinc/62/44/13/493624413.db2.gz SDYJZBWSYDOXSA-INIZCTEOSA-N 2 2 357.543 0.668 10 0 FCAELP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000677988901 493629191 /nfs/dbraw/zinc/62/91/91/493629191.db2.gz NKJHOISPJGSVOL-TVFCKZIOSA-N 2 2 351.491 0.807 10 0 FCAELP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000677988901 493629193 /nfs/dbraw/zinc/62/91/93/493629193.db2.gz NKJHOISPJGSVOL-TVFCKZIOSA-N 2 2 351.491 0.807 10 0 FCAELP C[C@H]([C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[NH+]1CCOCC1 ZINC000664008710 493630114 /nfs/dbraw/zinc/63/01/14/493630114.db2.gz JRGFZRDKAPQMSD-YESZJQIVSA-N 3 2 357.543 0.667 10 0 FCAELP C[C@H]([C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[NH+]1CCOCC1 ZINC000664008710 493630116 /nfs/dbraw/zinc/63/01/16/493630116.db2.gz JRGFZRDKAPQMSD-YESZJQIVSA-N 3 2 357.543 0.667 10 0 FCAELP C[C@H]([C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)N1CCOCC1 ZINC000664008710 493630119 /nfs/dbraw/zinc/63/01/19/493630119.db2.gz JRGFZRDKAPQMSD-YESZJQIVSA-N 2 2 357.543 0.667 10 0 FCAELP C[C@H]([C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)N1CCOCC1 ZINC000664008710 493630123 /nfs/dbraw/zinc/63/01/23/493630123.db2.gz JRGFZRDKAPQMSD-YESZJQIVSA-N 2 2 357.543 0.667 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000664008709 493630217 /nfs/dbraw/zinc/63/02/17/493630217.db2.gz JRGFZRDKAPQMSD-ULQDDVLXSA-N 3 2 357.543 0.667 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000664008709 493630218 /nfs/dbraw/zinc/63/02/18/493630218.db2.gz JRGFZRDKAPQMSD-ULQDDVLXSA-N 3 2 357.543 0.667 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000664008709 493630219 /nfs/dbraw/zinc/63/02/19/493630219.db2.gz JRGFZRDKAPQMSD-ULQDDVLXSA-N 2 2 357.543 0.667 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000664008709 493630220 /nfs/dbraw/zinc/63/02/20/493630220.db2.gz JRGFZRDKAPQMSD-ULQDDVLXSA-N 2 2 357.543 0.667 10 0 FCAELP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000664025112 493631392 /nfs/dbraw/zinc/63/13/92/493631392.db2.gz KNXCLGUHNZGCRT-IRXDYDNUSA-N 3 2 356.559 0.194 10 0 FCAELP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000664025112 493631395 /nfs/dbraw/zinc/63/13/95/493631395.db2.gz KNXCLGUHNZGCRT-IRXDYDNUSA-N 3 2 356.559 0.194 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000664025112 493631396 /nfs/dbraw/zinc/63/13/96/493631396.db2.gz KNXCLGUHNZGCRT-IRXDYDNUSA-N 3 2 356.559 0.194 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000664025112 493631399 /nfs/dbraw/zinc/63/13/99/493631399.db2.gz KNXCLGUHNZGCRT-IRXDYDNUSA-N 3 2 356.559 0.194 10 0 FCAELP O=C(NCC[NH+]1CCSCC1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000664095426 493636620 /nfs/dbraw/zinc/63/66/20/493636620.db2.gz JZSSJMXHSKOGHI-HZPDHXFCSA-N 2 2 368.547 0.978 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1)[NH+]1CCc2sccc2C1 ZINC000671150748 493643617 /nfs/dbraw/zinc/64/36/17/493643617.db2.gz IPEGGLZCDVIKPO-HIFRSBDPSA-N 2 2 364.515 0.821 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1)[NH+]1CCc2sccc2C1 ZINC000671150748 493643619 /nfs/dbraw/zinc/64/36/19/493643619.db2.gz IPEGGLZCDVIKPO-HIFRSBDPSA-N 2 2 364.515 0.821 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH+](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000671150748 493643621 /nfs/dbraw/zinc/64/36/21/493643621.db2.gz IPEGGLZCDVIKPO-HIFRSBDPSA-N 2 2 364.515 0.821 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH+](C)C1)[N@H+]1CCc2sccc2C1 ZINC000671150748 493643623 /nfs/dbraw/zinc/64/36/23/493643623.db2.gz IPEGGLZCDVIKPO-HIFRSBDPSA-N 2 2 364.515 0.821 10 0 FCAELP CC(C)NC(=O)[C@H]1CCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000664539314 493666491 /nfs/dbraw/zinc/66/64/91/493666491.db2.gz MPPOYRWUSGXOSL-INIZCTEOSA-N 2 2 367.538 0.959 10 0 FCAELP CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)[C@H]2C1 ZINC000664915790 493689976 /nfs/dbraw/zinc/68/99/76/493689976.db2.gz LVDHLNORFIKOOT-BZSNNMDCSA-N 2 2 367.538 0.816 10 0 FCAELP CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)[C@H]2C1 ZINC000664915790 493689979 /nfs/dbraw/zinc/68/99/79/493689979.db2.gz LVDHLNORFIKOOT-BZSNNMDCSA-N 2 2 367.538 0.816 10 0 FCAELP Cn1c(=O)ccc2c1CCC[C@H]2NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000665247130 493706981 /nfs/dbraw/zinc/70/69/81/493706981.db2.gz WDJKJFPBTFBTBU-MRXNPFEDSA-N 2 2 363.506 0.945 10 0 FCAELP Cn1c(=O)ccc2c1CCC[C@H]2NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000665247130 493706983 /nfs/dbraw/zinc/70/69/83/493706983.db2.gz WDJKJFPBTFBTBU-MRXNPFEDSA-N 2 2 363.506 0.945 10 0 FCAELP CN(C)S(=O)(=O)N1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000680326478 493713896 /nfs/dbraw/zinc/71/38/96/493713896.db2.gz FHOTTYSVKHFJKA-UHFFFAOYSA-N 2 2 355.489 0.858 10 0 FCAELP CN1c2ccccc2C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1=O ZINC000665622284 493727621 /nfs/dbraw/zinc/72/76/21/493727621.db2.gz PSYKIBHCYPGESG-INIZCTEOSA-N 2 2 361.490 0.757 10 0 FCAELP CN1c2ccccc2C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1=O ZINC000665622284 493727623 /nfs/dbraw/zinc/72/76/23/493727623.db2.gz PSYKIBHCYPGESG-INIZCTEOSA-N 2 2 361.490 0.757 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000665762989 493735426 /nfs/dbraw/zinc/73/54/26/493735426.db2.gz WSEZNEJSEOLQCR-BZSNNMDCSA-N 3 2 369.554 0.763 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000665762989 493735428 /nfs/dbraw/zinc/73/54/28/493735428.db2.gz WSEZNEJSEOLQCR-BZSNNMDCSA-N 3 2 369.554 0.763 10 0 FCAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@H]3CS(N)(=O)=O)c2cc1C ZINC000409449711 534138504 /nfs/dbraw/zinc/13/85/04/534138504.db2.gz WZQBMRPFWLYWCP-LSDHHAIUSA-N 2 2 366.487 0.767 10 0 FCAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@H]3CS(N)(=O)=O)c2cc1C ZINC000409449711 534138513 /nfs/dbraw/zinc/13/85/13/534138513.db2.gz WZQBMRPFWLYWCP-LSDHHAIUSA-N 2 2 366.487 0.767 10 0 FCAELP Cc1nnc([C@H]2CC[NH+](CC(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)C2)[nH]1 ZINC000412036621 534612163 /nfs/dbraw/zinc/61/21/63/534612163.db2.gz VQPCRLXHIURGJW-HOTGVXAUSA-N 2 2 364.494 0.375 10 0 FCAELP Cc1nnc([C@H]2CC[NH+](CC(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)C2)[nH]1 ZINC000412036621 534612169 /nfs/dbraw/zinc/61/21/69/534612169.db2.gz VQPCRLXHIURGJW-HOTGVXAUSA-N 2 2 364.494 0.375 10 0 FCAELP Cc1nnc([C@H]2CC[N@@H+](CC(=O)NC[C@H]3C[NH+](CC(C)C)CCO3)C2)[nH]1 ZINC000412036621 534612176 /nfs/dbraw/zinc/61/21/76/534612176.db2.gz VQPCRLXHIURGJW-HOTGVXAUSA-N 2 2 364.494 0.375 10 0 FCAELP Cc1nnc([C@H]2CC[N@H+](CC(=O)NC[C@H]3C[NH+](CC(C)C)CCO3)C2)[nH]1 ZINC000412036621 534612180 /nfs/dbraw/zinc/61/21/80/534612180.db2.gz VQPCRLXHIURGJW-HOTGVXAUSA-N 2 2 364.494 0.375 10 0 FCAELP Cc1n[nH]c([C@H]2CC[NH+](CC(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)C2)n1 ZINC000412036621 534612183 /nfs/dbraw/zinc/61/21/83/534612183.db2.gz VQPCRLXHIURGJW-HOTGVXAUSA-N 2 2 364.494 0.375 10 0 FCAELP Cc1n[nH]c([C@H]2CC[NH+](CC(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)C2)n1 ZINC000412036621 534612189 /nfs/dbraw/zinc/61/21/89/534612189.db2.gz VQPCRLXHIURGJW-HOTGVXAUSA-N 2 2 364.494 0.375 10 0 FCAELP Cc1n[nH]c([C@H]2CC[N@@H+](CC(=O)NC[C@H]3C[NH+](CC(C)C)CCO3)C2)n1 ZINC000412036621 534612190 /nfs/dbraw/zinc/61/21/90/534612190.db2.gz VQPCRLXHIURGJW-HOTGVXAUSA-N 2 2 364.494 0.375 10 0 FCAELP Cc1n[nH]c([C@H]2CC[N@H+](CC(=O)NC[C@H]3C[NH+](CC(C)C)CCO3)C2)n1 ZINC000412036621 534612193 /nfs/dbraw/zinc/61/21/93/534612193.db2.gz VQPCRLXHIURGJW-HOTGVXAUSA-N 2 2 364.494 0.375 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](c3nnc[nH]3)C2)C1 ZINC000425552353 535117794 /nfs/dbraw/zinc/11/77/94/535117794.db2.gz RJRAAEAZWVLRIH-HUUCEWRRSA-N 2 2 350.467 0.067 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](c3nnc[nH]3)C2)C1 ZINC000425552353 535117796 /nfs/dbraw/zinc/11/77/96/535117796.db2.gz RJRAAEAZWVLRIH-HUUCEWRRSA-N 2 2 350.467 0.067 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)C1 ZINC000425552353 535117798 /nfs/dbraw/zinc/11/77/98/535117798.db2.gz RJRAAEAZWVLRIH-HUUCEWRRSA-N 2 2 350.467 0.067 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@H](c3nnc[nH]3)C2)C1 ZINC000425552353 535117806 /nfs/dbraw/zinc/11/78/06/535117806.db2.gz RJRAAEAZWVLRIH-HUUCEWRRSA-N 2 2 350.467 0.067 10 0 FCAELP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000419968516 535305123 /nfs/dbraw/zinc/30/51/23/535305123.db2.gz DUYGJQHMYRTVKT-CVEARBPZSA-N 2 2 354.495 0.189 10 0 FCAELP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000414818343 535483576 /nfs/dbraw/zinc/48/35/76/535483576.db2.gz VIOKWWOCZMAACY-HUUCEWRRSA-N 2 2 362.474 0.960 10 0 FCAELP CCO[C@@H]1C[N@H+](CC(=O)NC(=O)Nc2ccc(OC)cc2)C[C@H]1C[NH3+] ZINC000593737054 546747125 /nfs/dbraw/zinc/74/71/25/546747125.db2.gz KHSRDPBYXIPRGA-IUODEOHRSA-N 2 2 350.419 0.639 10 0 FCAELP CCO[C@@H]1C[N@@H+](CC(=O)NC(=O)Nc2ccc(OC)cc2)C[C@H]1C[NH3+] ZINC000593737054 546747127 /nfs/dbraw/zinc/74/71/27/546747127.db2.gz KHSRDPBYXIPRGA-IUODEOHRSA-N 2 2 350.419 0.639 10 0 FCAELP COC(=O)c1ccc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000594821799 546835763 /nfs/dbraw/zinc/83/57/63/546835763.db2.gz NTFSJOCQXZIPIU-UHFFFAOYSA-N 2 2 357.476 0.635 10 0 FCAELP COC(=O)c1ccc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000594821799 546835768 /nfs/dbraw/zinc/83/57/68/546835768.db2.gz NTFSJOCQXZIPIU-UHFFFAOYSA-N 2 2 357.476 0.635 10 0 FCAELP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000550668547 547095756 /nfs/dbraw/zinc/09/57/56/547095756.db2.gz QBQGPDQLSJMFOU-HZPDHXFCSA-N 2 2 356.511 0.306 10 0 FCAELP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000552750385 547230132 /nfs/dbraw/zinc/23/01/32/547230132.db2.gz VXQAPPHABIXYHH-NSHDSACASA-N 2 2 363.384 0.908 10 0 FCAELP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000552750385 547230136 /nfs/dbraw/zinc/23/01/36/547230136.db2.gz VXQAPPHABIXYHH-NSHDSACASA-N 2 2 363.384 0.908 10 0 FCAELP CCOC(=O)N1CCN(C(=O)C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000245445820 674489215 /nfs/dbraw/zinc/48/92/15/674489215.db2.gz ZFWMXMVVVYFFBK-JKSUJKDBSA-N 2 2 354.495 0.949 10 0 FCAELP CCOC(=O)N1CCN(C(=O)C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000245445820 674489217 /nfs/dbraw/zinc/48/92/17/674489217.db2.gz ZFWMXMVVVYFFBK-JKSUJKDBSA-N 2 2 354.495 0.949 10 0 FCAELP CCOC(=O)N1CCN(C(=O)C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)CC1 ZINC000245445820 674489209 /nfs/dbraw/zinc/48/92/09/674489209.db2.gz ZFWMXMVVVYFFBK-JKSUJKDBSA-N 2 2 354.495 0.949 10 0 FCAELP CCOC(=O)N1CCN(C(=O)C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)CC1 ZINC000245445820 674489212 /nfs/dbraw/zinc/48/92/12/674489212.db2.gz ZFWMXMVVVYFFBK-JKSUJKDBSA-N 2 2 354.495 0.949 10 0 FCAELP CN(Cc1ccns1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000897721238 665765955 /nfs/dbraw/zinc/76/59/55/665765955.db2.gz LXLCGQIZTMUPLY-ZDUSSCGKSA-N 2 2 365.503 0.386 10 0 FCAELP CN(Cc1ccns1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000897721238 665765957 /nfs/dbraw/zinc/76/59/57/665765957.db2.gz LXLCGQIZTMUPLY-ZDUSSCGKSA-N 2 2 365.503 0.386 10 0 FCAELP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)C1C[NH+](C2CCOCC2)C1 ZINC000895848984 665061470 /nfs/dbraw/zinc/06/14/70/665061470.db2.gz SJPIHYRWCDSJLX-GOSISDBHSA-N 2 2 369.531 0.421 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)C3C[NH+]([C@H]4CCOC4)C3)CC2)CC1 ZINC000896004559 665066926 /nfs/dbraw/zinc/06/69/26/665066926.db2.gz GBSSWJQTKOBRMC-SFHVURJKSA-N 3 2 350.507 0.382 10 0 FCAELP CN(C(=O)C1C[NH+]([C@@H]2CCOC2)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000896990080 665139656 /nfs/dbraw/zinc/13/96/56/665139656.db2.gz ZLJPTVQRELOUTG-ZWKOTPCHSA-N 3 2 350.507 0.334 10 0 FCAELP CN(C(=O)C1C[NH+]([C@@H]2CCOC2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000896990080 665139658 /nfs/dbraw/zinc/13/96/58/665139658.db2.gz ZLJPTVQRELOUTG-ZWKOTPCHSA-N 3 2 350.507 0.334 10 0 FCAELP CN(CCCN1CC[NH+](C)CC1)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925156069 665174355 /nfs/dbraw/zinc/17/43/55/665174355.db2.gz IMNCNDNKNPDULB-SJORKVTESA-N 2 2 369.579 0.845 10 0 FCAELP CN(CCCN1CC[NH+](C)CC1)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000925156069 665174356 /nfs/dbraw/zinc/17/43/56/665174356.db2.gz IMNCNDNKNPDULB-SJORKVTESA-N 2 2 369.579 0.845 10 0 FCAELP CN(CCC[NH+]1CCN(C)CC1)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925156069 665174358 /nfs/dbraw/zinc/17/43/58/665174358.db2.gz IMNCNDNKNPDULB-SJORKVTESA-N 2 2 369.579 0.845 10 0 FCAELP CN(CCC[NH+]1CCN(C)CC1)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000925156069 665174360 /nfs/dbraw/zinc/17/43/60/665174360.db2.gz IMNCNDNKNPDULB-SJORKVTESA-N 2 2 369.579 0.845 10 0 FCAELP C/C(=C/C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)C[NH+]1CCOCC1 ZINC000907808717 666165589 /nfs/dbraw/zinc/16/55/89/666165589.db2.gz VPPMLNMIIULODS-VZVUQDNOSA-N 2 2 351.491 0.977 10 0 FCAELP C/C(=C/C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)C[NH+]1CCOCC1 ZINC000907808717 666165594 /nfs/dbraw/zinc/16/55/94/666165594.db2.gz VPPMLNMIIULODS-VZVUQDNOSA-N 2 2 351.491 0.977 10 0 FCAELP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@H]2CCCC[NH+]2CCO)C1 ZINC000908541808 666211688 /nfs/dbraw/zinc/21/16/88/666211688.db2.gz QZDUXWWVHDFCTL-JKSUJKDBSA-N 2 2 355.479 0.225 10 0 FCAELP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@H]2CCCC[NH+]2CCO)C1 ZINC000908541808 666211692 /nfs/dbraw/zinc/21/16/92/666211692.db2.gz QZDUXWWVHDFCTL-JKSUJKDBSA-N 2 2 355.479 0.225 10 0 FCAELP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NC[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000908541808 666211696 /nfs/dbraw/zinc/21/16/96/666211696.db2.gz QZDUXWWVHDFCTL-JKSUJKDBSA-N 2 2 355.479 0.225 10 0 FCAELP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NC[C@H]2CCCC[N@H+]2CCO)C1 ZINC000908541808 666211698 /nfs/dbraw/zinc/21/16/98/666211698.db2.gz QZDUXWWVHDFCTL-JKSUJKDBSA-N 2 2 355.479 0.225 10 0 FCAELP Cc1nc(C[NH+]2CCC(C(=O)NC[C@@]3(CO)COCC[NH2+]3)CC2)cs1 ZINC000913189555 666513797 /nfs/dbraw/zinc/51/37/97/666513797.db2.gz ZMGLBXIPNSSMLQ-QGZVFWFLSA-N 2 2 368.503 0.131 10 0 FCAELP CN(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732464066 666874971 /nfs/dbraw/zinc/87/49/71/666874971.db2.gz WGJFHRUJTUSVMQ-INIZCTEOSA-N 2 2 372.535 0.374 10 0 FCAELP CN(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000732464066 666874974 /nfs/dbraw/zinc/87/49/74/666874974.db2.gz WGJFHRUJTUSVMQ-INIZCTEOSA-N 2 2 372.535 0.374 10 0 FCAELP C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)c2cccc3c2CC[N@H+](C)C3)C1 ZINC000918963899 667144627 /nfs/dbraw/zinc/14/46/27/667144627.db2.gz WTIZQXRBMKRLKD-GOSISDBHSA-N 2 2 367.515 0.752 10 0 FCAELP C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)C1 ZINC000918963899 667144630 /nfs/dbraw/zinc/14/46/30/667144630.db2.gz WTIZQXRBMKRLKD-GOSISDBHSA-N 2 2 367.515 0.752 10 0 FCAELP C[C@@H]1C[N@H+](CC(=O)NCc2ccc(S(C)(=O)=O)cc2)CC[C@H]1C[NH3+] ZINC000923494438 667841129 /nfs/dbraw/zinc/84/11/29/667841129.db2.gz MXHRYXMJVSZIEQ-HIFRSBDPSA-N 2 2 353.488 0.623 10 0 FCAELP C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(S(C)(=O)=O)cc2)CC[C@H]1C[NH3+] ZINC000923494438 667841130 /nfs/dbraw/zinc/84/11/30/667841130.db2.gz MXHRYXMJVSZIEQ-HIFRSBDPSA-N 2 2 353.488 0.623 10 0 FCAELP CCCN(C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000923499874 667841582 /nfs/dbraw/zinc/84/15/82/667841582.db2.gz NWHKBQYNQKOXBA-JONQDZQNSA-N 2 2 359.536 0.717 10 0 FCAELP CCCN(C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000923499874 667841586 /nfs/dbraw/zinc/84/15/86/667841586.db2.gz NWHKBQYNQKOXBA-JONQDZQNSA-N 2 2 359.536 0.717 10 0 FCAELP C[C@@H]1C[N@H+](CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)CC[C@@H]1C[NH3+] ZINC000923499144 667841749 /nfs/dbraw/zinc/84/17/49/667841749.db2.gz KKOSSPHXBYMEDO-BFYDXBDKSA-N 2 2 371.547 0.861 10 0 FCAELP C[C@@H]1C[N@@H+](CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)CC[C@@H]1C[NH3+] ZINC000923499144 667841755 /nfs/dbraw/zinc/84/17/55/667841755.db2.gz KKOSSPHXBYMEDO-BFYDXBDKSA-N 2 2 371.547 0.861 10 0 FCAELP COc1cc(OCC[NH+](C)C)ccc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000819492233 669006856 /nfs/dbraw/zinc/00/68/56/669006856.db2.gz ZDZOLRMSUUKOHK-OAHLLOKOSA-N 2 2 353.463 0.741 10 0 FCAELP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000829645041 669714678 /nfs/dbraw/zinc/71/46/78/669714678.db2.gz CJWBSPDNKHJPJK-CABCVRRESA-N 2 2 354.495 0.996 10 0 FCAELP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000852748345 671523138 /nfs/dbraw/zinc/52/31/38/671523138.db2.gz RVRULZLUACNNJU-YJBOKZPZSA-N 2 2 352.479 0.751 10 0 FCAELP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000852748345 671523141 /nfs/dbraw/zinc/52/31/41/671523141.db2.gz RVRULZLUACNNJU-YJBOKZPZSA-N 2 2 352.479 0.751 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1csc(-c2nc[nH]n2)n1 ZINC000855417367 671642009 /nfs/dbraw/zinc/64/20/09/671642009.db2.gz ZRYOVFFEDOZPKN-UHFFFAOYSA-N 2 2 351.480 0.470 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1csc(-c2nc[nH]n2)n1 ZINC000855417367 671642011 /nfs/dbraw/zinc/64/20/11/671642011.db2.gz ZRYOVFFEDOZPKN-UHFFFAOYSA-N 2 2 351.480 0.470 10 0 FCAELP CCc1nn(C)cc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562565 675945283 /nfs/dbraw/zinc/94/52/83/675945283.db2.gz OODCLWHTYPNZHG-GASCZTMLSA-N 2 2 367.519 0.572 10 0 FCAELP CCc1nn(C)cc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562565 675945284 /nfs/dbraw/zinc/94/52/84/675945284.db2.gz OODCLWHTYPNZHG-GASCZTMLSA-N 2 2 367.519 0.572 10 0 FCAELP CO[C@@H]1CN2C(=O)N([C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C(=O)[C@]2(C)C1 ZINC000865304144 672237637 /nfs/dbraw/zinc/23/76/37/672237637.db2.gz RBEBNFIJMYKADG-VKJFTORMSA-N 2 2 350.463 0.597 10 0 FCAELP CO[C@@H]1CN2C(=O)N([C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C(=O)[C@]2(C)C1 ZINC000865304144 672237638 /nfs/dbraw/zinc/23/76/38/672237638.db2.gz RBEBNFIJMYKADG-VKJFTORMSA-N 2 2 350.463 0.597 10 0 FCAELP C[C@@H](C(=O)NCc1cccs1)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866708870 672290393 /nfs/dbraw/zinc/29/03/93/672290393.db2.gz PVYBKAQGEOHYDY-VIRABCJISA-N 2 2 364.471 0.620 10 0 FCAELP C[C@@H](C(=O)NCc1cccs1)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866708870 672290394 /nfs/dbraw/zinc/29/03/94/672290394.db2.gz PVYBKAQGEOHYDY-VIRABCJISA-N 2 2 364.471 0.620 10 0 FCAELP O=C(C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)NCc1cccs1 ZINC000866710545 672290660 /nfs/dbraw/zinc/29/06/60/672290660.db2.gz YUWKGFJUUVGESG-BNOWGMLFSA-N 2 2 350.444 0.231 10 0 FCAELP O=C(C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)NCc1cccs1 ZINC000866710545 672290662 /nfs/dbraw/zinc/29/06/62/672290662.db2.gz YUWKGFJUUVGESG-BNOWGMLFSA-N 2 2 350.444 0.231 10 0 FCAELP CCc1nc(C[NH+]2CCC(CNS(=O)(=O)C3C[NH2+]C3)CC2)cs1 ZINC000923608833 672427427 /nfs/dbraw/zinc/42/74/27/672427427.db2.gz XHPUEQBPOBZGNS-UHFFFAOYSA-N 2 2 358.533 0.809 10 0 FCAELP CC[NH+](CC)CCSCC(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870068091 672466043 /nfs/dbraw/zinc/46/60/43/672466043.db2.gz RJEGWTBHAGHHOE-MRXNPFEDSA-N 2 2 359.536 0.621 10 0 FCAELP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923618805 672486203 /nfs/dbraw/zinc/48/62/03/672486203.db2.gz PWRBLADXQJEKFV-WMZOPIPTSA-N 2 2 366.531 0.869 10 0 FCAELP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000872148091 672594428 /nfs/dbraw/zinc/59/44/28/672594428.db2.gz HRIVVJSLCOVLAP-WCFLWFBJSA-N 2 2 350.385 0.135 10 0 FCAELP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000872148091 672594430 /nfs/dbraw/zinc/59/44/30/672594430.db2.gz HRIVVJSLCOVLAP-WCFLWFBJSA-N 2 2 350.385 0.135 10 0 FCAELP CN(CCCCCC[NH3+])C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000872186521 672596840 /nfs/dbraw/zinc/59/68/40/672596840.db2.gz WIFRTMGFUUCXLS-INIZCTEOSA-N 2 2 354.495 0.287 10 0 FCAELP CN(C(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000925164324 673780005 /nfs/dbraw/zinc/78/00/05/673780005.db2.gz OCONLYLNMDDQIC-UGUYLWEFSA-N 2 2 354.520 0.681 10 0 FCAELP CN(C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000925164324 673780013 /nfs/dbraw/zinc/78/00/13/673780013.db2.gz OCONLYLNMDDQIC-UGUYLWEFSA-N 2 2 354.520 0.681 10 0 FCAELP CN(C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000925164324 673780017 /nfs/dbraw/zinc/78/00/17/673780017.db2.gz OCONLYLNMDDQIC-UGUYLWEFSA-N 2 2 354.520 0.681 10 0 FCAELP CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000925811608 673804995 /nfs/dbraw/zinc/80/49/95/673804995.db2.gz IWQSMJQYXFQFFJ-MGPQQGTHSA-N 2 2 351.538 0.944 10 0 FCAELP CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925807831 673805038 /nfs/dbraw/zinc/80/50/38/673805038.db2.gz DKSHPOHBVFCRRH-KBPBESRZSA-N 2 2 351.538 0.802 10 0 FCAELP [NH3+]C1CC[NH+](CCNC(=O)Nc2nc(CN3CCOCC3)cs2)CC1 ZINC000925914972 673805778 /nfs/dbraw/zinc/80/57/78/673805778.db2.gz HTSJXDYAEQIUHK-UHFFFAOYSA-N 2 2 368.507 0.520 10 0 FCAELP CCO[C@@H](CNC(=O)N1CCC(N2CC[NH+](C)CC2)CC1)C[NH+](C)C ZINC000926850762 673845816 /nfs/dbraw/zinc/84/58/16/673845816.db2.gz RRVMOOMJOXERDF-KRWDZBQOSA-N 2 2 355.527 0.375 10 0 FCAELP Cc1ccc(NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c(N(C)C)[nH+]1 ZINC000927843693 673883167 /nfs/dbraw/zinc/88/31/67/673883167.db2.gz ZDYHAAZTHVKNBP-NXEZZACHSA-N 2 2 359.352 0.743 10 0 FCAELP C[NH+]1CC[C@@H]1CNC(=O)c1cscc1CC(=O)NC[C@H]1CC[N@H+]1C ZINC000928556104 673919381 /nfs/dbraw/zinc/91/93/81/673919381.db2.gz RRCNVINLEVNMHQ-ZIAGYGMSSA-N 2 2 350.488 0.545 10 0 FCAELP C[NH+]1CC[C@@H]1CNC(=O)c1cscc1CC(=O)NC[C@H]1CC[N@@H+]1C ZINC000928556104 673919382 /nfs/dbraw/zinc/91/93/82/673919382.db2.gz RRCNVINLEVNMHQ-ZIAGYGMSSA-N 2 2 350.488 0.545 10 0 FCAELP C[NH+]1CC[C@@H]1CNC(=O)Cc1cscc1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928556104 673919383 /nfs/dbraw/zinc/91/93/83/673919383.db2.gz RRCNVINLEVNMHQ-ZIAGYGMSSA-N 2 2 350.488 0.545 10 0 FCAELP C[NH+]1CC[C@@H]1CNC(=O)Cc1cscc1C(=O)NC[C@H]1CC[N@H+]1C ZINC000928556104 673919385 /nfs/dbraw/zinc/91/93/85/673919385.db2.gz RRCNVINLEVNMHQ-ZIAGYGMSSA-N 2 2 350.488 0.545 10 0 FCAELP C/C(=C/C(=O)N1CC[NH+](CC2CCOCC2)CC1)C[NH+]1CCOCC1 ZINC000900759734 675714079 /nfs/dbraw/zinc/71/40/79/675714079.db2.gz ACRUQDRJEQSLFM-VKAVYKQESA-N 2 2 351.491 0.836 10 0 FCAELP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+]([C@@H](CC)CO)CC2)C1 ZINC000901146936 675763824 /nfs/dbraw/zinc/76/38/24/675763824.db2.gz MXNPYYYKVBPJMW-CVEARBPZSA-N 2 2 355.479 0.177 10 0 FCAELP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+]([C@@H](CC)CO)CC2)C1 ZINC000901146936 675763827 /nfs/dbraw/zinc/76/38/27/675763827.db2.gz MXNPYYYKVBPJMW-CVEARBPZSA-N 2 2 355.479 0.177 10 0 FCAELP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000897489316 1192195524 /nfs/dbraw/zinc/19/55/24/1192195524.db2.gz CXENVQGKHBOJNR-LSDHHAIUSA-N 2 2 356.430 0.520 10 0 FCAELP O=C(NCCN1CC[NH+](C[C@H]2CCCOC2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001266285498 1167875428 /nfs/dbraw/zinc/87/54/28/1167875428.db2.gz BGZZTLGKZFKBDO-BRWVUGGUSA-N 2 2 361.490 0.674 10 0 FCAELP O=C(NCCN1CC[NH+](C[C@H]2CCCOC2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001266285498 1167875433 /nfs/dbraw/zinc/87/54/33/1167875433.db2.gz BGZZTLGKZFKBDO-BRWVUGGUSA-N 2 2 361.490 0.674 10 0 FCAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CC(=O)Nc1cnccn1 ZINC001266971718 1171183262 /nfs/dbraw/zinc/18/32/62/1171183262.db2.gz OUINRELEHZSDLV-YNEHKIRRSA-N 2 2 357.418 0.047 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCc2ccnn2C)C1 ZINC001267058639 1171571591 /nfs/dbraw/zinc/57/15/91/1171571591.db2.gz NKQXDYIXLFGYDD-USXIJHARSA-N 2 2 356.474 0.938 10 0 FCAELP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000897852413 1192848700 /nfs/dbraw/zinc/84/87/00/1192848700.db2.gz CSHMVTYVNQVFMH-MRXNPFEDSA-N 2 2 359.474 0.817 10 0 FCAELP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000897852413 1192848701 /nfs/dbraw/zinc/84/87/01/1192848701.db2.gz CSHMVTYVNQVFMH-MRXNPFEDSA-N 2 2 359.474 0.817 10 0 FCAELP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000897946241 1192852575 /nfs/dbraw/zinc/85/25/75/1192852575.db2.gz NCRPDSUTMFIWOA-INIZCTEOSA-N 2 2 374.489 0.389 10 0 FCAELP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000897946241 1192852576 /nfs/dbraw/zinc/85/25/76/1192852576.db2.gz NCRPDSUTMFIWOA-INIZCTEOSA-N 2 2 374.489 0.389 10 0 FCAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C3C[NH+]([C@H]4CCOC4)C3)CC2)CC1 ZINC000897997653 1192852858 /nfs/dbraw/zinc/85/28/58/1192852858.db2.gz JLSXIAJOKXDWMU-IBGZPJMESA-N 3 2 364.534 0.726 10 0 FCAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C3C[NH+]([C@H]4CCOC4)C3)CC2)CC1 ZINC000897997653 1192852860 /nfs/dbraw/zinc/85/28/60/1192852860.db2.gz JLSXIAJOKXDWMU-IBGZPJMESA-N 3 2 364.534 0.726 10 0 FCAELP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC000898157236 1192861550 /nfs/dbraw/zinc/86/15/50/1192861550.db2.gz NRLGSOCIOMLKOS-ZWKOTPCHSA-N 2 2 358.486 0.896 10 0 FCAELP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC000898157236 1192861551 /nfs/dbraw/zinc/86/15/51/1192861551.db2.gz NRLGSOCIOMLKOS-ZWKOTPCHSA-N 2 2 358.486 0.896 10 0 FCAELP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000898157236 1192861554 /nfs/dbraw/zinc/86/15/54/1192861554.db2.gz NRLGSOCIOMLKOS-ZWKOTPCHSA-N 2 2 358.486 0.896 10 0 FCAELP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000898157236 1192861555 /nfs/dbraw/zinc/86/15/55/1192861555.db2.gz NRLGSOCIOMLKOS-ZWKOTPCHSA-N 2 2 358.486 0.896 10 0 FCAELP C[N@H+](CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)CC[C@@H]1CCOC1 ZINC001267209577 1178856254 /nfs/dbraw/zinc/85/62/54/1178856254.db2.gz DZMCOVRTXSHWSJ-KURKYZTESA-N 2 2 369.506 0.341 10 0 FCAELP C[N@@H+](CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)CC[C@@H]1CCOC1 ZINC001267209577 1178856256 /nfs/dbraw/zinc/85/62/56/1178856256.db2.gz DZMCOVRTXSHWSJ-KURKYZTESA-N 2 2 369.506 0.341 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC001481112806 1182364592 /nfs/dbraw/zinc/36/45/92/1182364592.db2.gz SPSZGMCKUJDUFE-BZUAXINKSA-N 2 2 359.474 0.488 10 0 FCAELP 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C[C@@H](C[NH2+]CC(=O)Nc1cnccn1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001268704765 1187764118 /nfs/dbraw/zinc/76/41/18/1187764118.db2.gz QRXSFLQDQPGITD-YNEHKIRRSA-N 2 2 357.418 0.047 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](C[NH2+]CCc1ccnn1C)C1CC1 ZINC001269120847 1187816725 /nfs/dbraw/zinc/81/67/25/1187816725.db2.gz UWWIHOYOJDOPDA-ZACQAIPSSA-N 2 2 356.474 0.984 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCC2([NH2+][C@@H](C(N)=O)c3ccc(F)cc3)CC2)CC[N@@H+]1C ZINC001269415313 1187847297 /nfs/dbraw/zinc/84/72/97/1187847297.db2.gz CXBZYSZBDFTLEI-DAXOMENPSA-N 2 2 362.449 0.931 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCC2([NH2+][C@@H](C(N)=O)c3ccc(F)cc3)CC2)CC[N@H+]1C ZINC001269415313 1187847299 /nfs/dbraw/zinc/84/72/99/1187847299.db2.gz CXBZYSZBDFTLEI-DAXOMENPSA-N 2 2 362.449 0.931 10 0 FCAELP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001719861526 1187924542 /nfs/dbraw/zinc/92/45/42/1187924542.db2.gz GNZOJEPTCJLVPH-FZKCQIBNSA-N 2 2 359.474 0.645 10 0 FCAELP 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ZINC001483588488 1196389483 /nfs/dbraw/zinc/38/94/83/1196389483.db2.gz GHOXXJRUFXNSDZ-ZACQAIPSSA-N 2 2 369.469 0.907 10 0 FCAELP Cc1cc(N2CCN(C(=O)C[NH2+][C@@H](CO)C3CC3)CC2)nc(C(C)C)[nH+]1 ZINC000771809141 1200652217 /nfs/dbraw/zinc/65/22/17/1200652217.db2.gz RKNFOVJCKQZAAI-INIZCTEOSA-N 2 2 361.490 0.918 10 0 FCAELP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000793808061 1201266932 /nfs/dbraw/zinc/26/69/32/1201266932.db2.gz CRAYGCASVLQMPS-HNNXBMFYSA-N 2 2 356.430 0.402 10 0 FCAELP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000793808061 1201266941 /nfs/dbraw/zinc/26/69/41/1201266941.db2.gz CRAYGCASVLQMPS-HNNXBMFYSA-N 2 2 356.430 0.402 10 0 FCAELP C[NH+](C)CCN1CC[N@H+](C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1=O ZINC000846012528 1204575804 /nfs/dbraw/zinc/57/58/04/1204575804.db2.gz CSVVWKHCPIEGPO-KXBFYZLASA-N 2 2 366.506 0.949 10 0 FCAELP C[NH+](C)CCN1CC[N@@H+](C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1=O ZINC000846012528 1204575807 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IFILMPCXGDTQGD-ILXRZTDVSA-N 2 2 367.494 0.286 10 0 FCAELP CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001489293209 1208723118 /nfs/dbraw/zinc/72/31/18/1208723118.db2.gz IFILMPCXGDTQGD-ILXRZTDVSA-N 2 2 367.494 0.286 10 0 FCAELP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001489654086 1209040838 /nfs/dbraw/zinc/04/08/38/1209040838.db2.gz AUTJFYHPJIVACR-BZUAXINKSA-N 2 2 365.453 0.622 10 0 FCAELP CN(C[C@@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(=O)C1(C[NH+](C)C)CC1 ZINC001489780055 1209096264 /nfs/dbraw/zinc/09/62/64/1209096264.db2.gz XSQRQLHIZGZMDR-RRFJBIMHSA-N 2 2 359.474 0.914 10 0 FCAELP CN(C[C@@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(=O)C1(C[NH+](C)C)CC1 ZINC001489780055 1209096265 /nfs/dbraw/zinc/09/62/65/1209096265.db2.gz XSQRQLHIZGZMDR-RRFJBIMHSA-N 2 2 359.474 0.914 10 0 FCAELP C[NH+](C)CCCCC(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001490042853 1209224045 /nfs/dbraw/zinc/22/40/45/1209224045.db2.gz 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Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)CC1 ZINC000860156483 1209840531 /nfs/dbraw/zinc/84/05/31/1209840531.db2.gz BVATXLKBPPWVTM-QZTJIDSGSA-N 2 2 357.454 0.744 10 0 FCAELP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)CC1 ZINC000860156483 1209840534 /nfs/dbraw/zinc/84/05/34/1209840534.db2.gz BVATXLKBPPWVTM-QZTJIDSGSA-N 2 2 357.454 0.744 10 0 FCAELP O=C(C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000860156257 1209840704 /nfs/dbraw/zinc/84/07/04/1209840704.db2.gz ILZODBGOUFBUIV-HZPDHXFCSA-N 2 2 365.474 0.243 10 0 FCAELP O=C(C[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000860156257 1209840706 /nfs/dbraw/zinc/84/07/06/1209840706.db2.gz ILZODBGOUFBUIV-HZPDHXFCSA-N 2 2 365.474 0.243 10 0 FCAELP [NH3+]C1(CNC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CCOCC1 ZINC000861740459 1209878707 /nfs/dbraw/zinc/87/87/07/1209878707.db2.gz ROLMDFDRTGMUEK-UHFFFAOYSA-N 2 2 357.414 0.113 10 0 FCAELP Cc1cccc(OCCNC(=O)CN2C[C@@H](c3c[nH+]cn3C)[C@H]([NH3+])C2)c1 ZINC000864302966 1209957305 /nfs/dbraw/zinc/95/73/05/1209957305.db2.gz ORPCHPNIIBEGTC-IAGOWNOFSA-N 2 2 357.458 0.650 10 0 FCAELP CO[C@H]1CCn2cc(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)nc2C1 ZINC000865749306 1209983654 /nfs/dbraw/zinc/98/36/54/1209983654.db2.gz CPWUXFBBMKVJEL-ZBFHGGJFSA-N 2 2 361.490 0.743 10 0 FCAELP CO[C@H]1CCn2cc(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)nc2C1 ZINC000865749306 1209983657 /nfs/dbraw/zinc/98/36/57/1209983657.db2.gz CPWUXFBBMKVJEL-ZBFHGGJFSA-N 2 2 361.490 0.743 10 0 FCAELP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000865997246 1209989588 /nfs/dbraw/zinc/98/95/88/1209989588.db2.gz WMBOKFIVYYJEIU-GOSISDBHSA-N 2 2 373.457 0.732 10 0 FCAELP Cc1cccnc1NC(=O)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000866669017 1210000736 /nfs/dbraw/zinc/00/07/36/1210000736.db2.gz MVQTVFUOVGBEKL-CABCVRRESA-N 2 2 359.430 0.586 10 0 FCAELP Cn1cc(-c2nc(C[N@@H+]3CC[C@@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)cs2)cn1 ZINC000866714461 1210004837 /nfs/dbraw/zinc/00/48/37/1210004837.db2.gz PJODWGKLSXDFRQ-KFWWJZLASA-N 2 2 374.470 0.911 10 0 FCAELP Cn1cc(-c2nc(C[N@H+]3CC[C@@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)cs2)cn1 ZINC000866714461 1210004840 /nfs/dbraw/zinc/00/48/40/1210004840.db2.gz PJODWGKLSXDFRQ-KFWWJZLASA-N 2 2 374.470 0.911 10 0 FCAELP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000867573185 1210014862 /nfs/dbraw/zinc/01/48/62/1210014862.db2.gz XUUPFNNFUZXFDV-HZPDHXFCSA-N 2 2 366.506 0.108 10 0 FCAELP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000867573185 1210014865 /nfs/dbraw/zinc/01/48/65/1210014865.db2.gz XUUPFNNFUZXFDV-HZPDHXFCSA-N 2 2 366.506 0.108 10 0 FCAELP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867573185 1210014868 /nfs/dbraw/zinc/01/48/68/1210014868.db2.gz XUUPFNNFUZXFDV-HZPDHXFCSA-N 2 2 366.506 0.108 10 0 FCAELP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000867573185 1210014872 /nfs/dbraw/zinc/01/48/72/1210014872.db2.gz XUUPFNNFUZXFDV-HZPDHXFCSA-N 2 2 366.506 0.108 10 0 FCAELP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000867573187 1210015233 /nfs/dbraw/zinc/01/52/33/1210015233.db2.gz XUUPFNNFUZXFDV-JKSUJKDBSA-N 2 2 366.506 0.108 10 0 FCAELP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000867573187 1210015235 /nfs/dbraw/zinc/01/52/35/1210015235.db2.gz XUUPFNNFUZXFDV-JKSUJKDBSA-N 2 2 366.506 0.108 10 0 FCAELP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867573187 1210015238 /nfs/dbraw/zinc/01/52/38/1210015238.db2.gz XUUPFNNFUZXFDV-JKSUJKDBSA-N 2 2 366.506 0.108 10 0 FCAELP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867573187 1210015242 /nfs/dbraw/zinc/01/52/42/1210015242.db2.gz XUUPFNNFUZXFDV-JKSUJKDBSA-N 2 2 366.506 0.108 10 0 FCAELP 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Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C\C[NH2+]CC(=O)Nc1cnccn1 ZINC001274369818 1211038712 /nfs/dbraw/zinc/03/87/12/1211038712.db2.gz RFBDKGQBAZFDNH-DTSKHDKYSA-N 2 2 369.429 0.214 10 0 FCAELP C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2c[nH]c[nH+]2)C3)CC1 ZINC001490820507 1211399906 /nfs/dbraw/zinc/39/99/06/1211399906.db2.gz MWTSOQRJQJIBJT-ZACQAIPSSA-N 2 2 359.474 0.932 10 0 FCAELP C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2c[nH+]c[nH]2)C3)CC1 ZINC001490820507 1211399911 /nfs/dbraw/zinc/39/99/11/1211399911.db2.gz MWTSOQRJQJIBJT-ZACQAIPSSA-N 2 2 359.474 0.932 10 0 FCAELP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)N1CCNCC[NH2+]CC1 ZINC000925964869 1211511378 /nfs/dbraw/zinc/51/13/78/1211511378.db2.gz KVPMMZIYCOLEFW-UHFFFAOYSA-N 2 2 361.490 0.588 10 0 FCAELP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC000926366027 1211540939 /nfs/dbraw/zinc/54/09/39/1211540939.db2.gz HTSGHMGFYSVAOZ-DNVCBOLYSA-N 2 2 359.474 0.871 10 0 FCAELP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H]3C[NH2+]C[C@H]3C)cc2)CC1 ZINC000927812857 1211583087 /nfs/dbraw/zinc/58/30/87/1211583087.db2.gz LHHUZFJVOUTIEU-CRAIPNDOSA-N 2 2 373.501 0.487 10 0 FCAELP C[NH+]1CC[C@H]1CNC(=O)[C@@]1(c2ccccc2)C[C@H]1C(=O)NC[C@H]1CC[N@H+]1C ZINC000928572025 1211605333 /nfs/dbraw/zinc/60/53/33/1211605333.db2.gz UVGUDWKGGMSNPR-OEMYIYORSA-N 2 2 370.497 0.585 10 0 FCAELP C[NH+]1CC[C@H]1CNC(=O)[C@@]1(c2ccccc2)C[C@H]1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928572025 1211605334 /nfs/dbraw/zinc/60/53/34/1211605334.db2.gz UVGUDWKGGMSNPR-OEMYIYORSA-N 2 2 370.497 0.585 10 0 FCAELP C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@@]1(C(=O)NC[C@@H]1CC[N@@H+]1C)c1ccccc1 ZINC000928572025 1211605336 /nfs/dbraw/zinc/60/53/36/1211605336.db2.gz UVGUDWKGGMSNPR-OEMYIYORSA-N 2 2 370.497 0.585 10 0 FCAELP C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@@]1(C(=O)NC[C@@H]1CC[N@H+]1C)c1ccccc1 ZINC000928572025 1211605337 /nfs/dbraw/zinc/60/53/37/1211605337.db2.gz UVGUDWKGGMSNPR-OEMYIYORSA-N 2 2 370.497 0.585 10 0 FCAELP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000928647084 1211607925 /nfs/dbraw/zinc/60/79/25/1211607925.db2.gz DVFMIWPFMVEXDA-FGTMMUONSA-N 2 2 363.506 0.682 10 0 FCAELP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000928647084 1211607926 /nfs/dbraw/zinc/60/79/26/1211607926.db2.gz DVFMIWPFMVEXDA-FGTMMUONSA-N 2 2 363.506 0.682 10 0 FCAELP CCO[C@@H](CNC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1)C[NH+](C)C ZINC000929686696 1211654613 /nfs/dbraw/zinc/65/46/13/1211654613.db2.gz OYUDKSKNKBKLLC-KRWDZBQOSA-N 2 2 362.474 0.201 10 0 FCAELP Cc1cc(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)cc(C)[nH+]1 ZINC000930872737 1211725887 /nfs/dbraw/zinc/72/58/87/1211725887.db2.gz RDXZQRMVAOSNLF-KRWDZBQOSA-N 2 2 360.458 0.684 10 0 FCAELP Cc1cc(CNC(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)cc(C)[nH+]1 ZINC000930872737 1211725888 /nfs/dbraw/zinc/72/58/88/1211725888.db2.gz RDXZQRMVAOSNLF-KRWDZBQOSA-N 2 2 360.458 0.684 10 0 FCAELP C[NH+]1C[C@]2(C)C[NH+](C[C@@H](O)CN3C(=O)c4ccccc4C3=O)C[C@@]2(C)C1 ZINC000931309411 1211750537 /nfs/dbraw/zinc/75/05/37/1211750537.db2.gz ROLRHPGSRHUNME-JSNMRZPZSA-N 2 2 357.454 0.917 10 0 FCAELP CN1CC[N@H+](CCCNC(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)[C@@H](c2ccccc2)C1 ZINC000900164390 1217966207 /nfs/dbraw/zinc/96/62/07/1217966207.db2.gz VXXCKSFDAGVKDA-SBHAEUEKSA-N 2 2 374.529 0.937 10 0 FCAELP CN1CC[N@@H+](CCCNC(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)[C@@H](c2ccccc2)C1 ZINC000900164390 1217966211 /nfs/dbraw/zinc/96/62/11/1217966211.db2.gz VXXCKSFDAGVKDA-SBHAEUEKSA-N 2 2 374.529 0.937 10 0 FCAELP CN1CC[NH+](CCCNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)[C@@H](c2ccccc2)C1 ZINC000900164390 1217966214 /nfs/dbraw/zinc/96/62/14/1217966214.db2.gz VXXCKSFDAGVKDA-SBHAEUEKSA-N 2 2 374.529 0.937 10 0 FCAELP CN1CC[NH+](CCCNC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)[C@@H](c2ccccc2)C1 ZINC000900164390 1217966217 /nfs/dbraw/zinc/96/62/17/1217966217.db2.gz VXXCKSFDAGVKDA-SBHAEUEKSA-N 2 2 374.529 0.937 10 0 FCAELP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCCN1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000900164390 1217966219 /nfs/dbraw/zinc/96/62/19/1217966219.db2.gz VXXCKSFDAGVKDA-SBHAEUEKSA-N 2 2 374.529 0.937 10 0 FCAELP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCCN1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000900164390 1217966223 /nfs/dbraw/zinc/96/62/23/1217966223.db2.gz VXXCKSFDAGVKDA-SBHAEUEKSA-N 2 2 374.529 0.937 10 0 FCAELP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000900164390 1217966226 /nfs/dbraw/zinc/96/62/26/1217966226.db2.gz VXXCKSFDAGVKDA-SBHAEUEKSA-N 2 2 374.529 0.937 10 0 FCAELP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000900164390 1217966229 /nfs/dbraw/zinc/96/62/29/1217966229.db2.gz VXXCKSFDAGVKDA-SBHAEUEKSA-N 2 2 374.529 0.937 10 0 FCAELP CN1CC[N@H+](CCCNC(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)[C@H](c2ccccc2)C1 ZINC000900164389 1217966257 /nfs/dbraw/zinc/96/62/57/1217966257.db2.gz VXXCKSFDAGVKDA-DYXWJJEUSA-N 2 2 374.529 0.937 10 0 FCAELP CN1CC[N@@H+](CCCNC(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)[C@H](c2ccccc2)C1 ZINC000900164389 1217966261 /nfs/dbraw/zinc/96/62/61/1217966261.db2.gz VXXCKSFDAGVKDA-DYXWJJEUSA-N 2 2 374.529 0.937 10 0 FCAELP CN1CC[NH+](CCCNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)[C@H](c2ccccc2)C1 ZINC000900164389 1217966263 /nfs/dbraw/zinc/96/62/63/1217966263.db2.gz VXXCKSFDAGVKDA-DYXWJJEUSA-N 2 2 374.529 0.937 10 0 FCAELP CN1CC[NH+](CCCNC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)[C@H](c2ccccc2)C1 ZINC000900164389 1217966269 /nfs/dbraw/zinc/96/62/69/1217966269.db2.gz VXXCKSFDAGVKDA-DYXWJJEUSA-N 2 2 374.529 0.937 10 0 FCAELP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCCN1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000900164389 1217966272 /nfs/dbraw/zinc/96/62/72/1217966272.db2.gz VXXCKSFDAGVKDA-DYXWJJEUSA-N 2 2 374.529 0.937 10 0 FCAELP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCCN1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000900164389 1217966275 /nfs/dbraw/zinc/96/62/75/1217966275.db2.gz VXXCKSFDAGVKDA-DYXWJJEUSA-N 2 2 374.529 0.937 10 0 FCAELP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000900164389 1217966278 /nfs/dbraw/zinc/96/62/78/1217966278.db2.gz VXXCKSFDAGVKDA-DYXWJJEUSA-N 2 2 374.529 0.937 10 0 FCAELP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000900164389 1217966282 /nfs/dbraw/zinc/96/62/82/1217966282.db2.gz VXXCKSFDAGVKDA-DYXWJJEUSA-N 2 2 374.529 0.937 10 0 FCAELP C/C(=C\C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C[NH+]1CCOCC1 ZINC000901230417 1218096050 /nfs/dbraw/zinc/09/60/50/1218096050.db2.gz NLDLIYRCEXKOHI-MAUBAPBLSA-N 2 2 368.522 0.474 10 0 FCAELP C/C(=C/C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C[NH+]1CCOCC1 ZINC000901230418 1218096149 /nfs/dbraw/zinc/09/61/49/1218096149.db2.gz NLDLIYRCEXKOHI-NOCRFKNCSA-N 2 2 368.522 0.474 10 0 FCAELP CCN(CC)C(=O)C[NH+]1CCN(C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903879113 1218559098 /nfs/dbraw/zinc/55/90/98/1218559098.db2.gz SPLDCIKJRJNNBN-KRWDZBQOSA-N 2 2 364.538 0.332 10 0 FCAELP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)[C@@H]1CN(C)CC[NH+]1C ZINC001119454752 1221919109 /nfs/dbraw/zinc/91/91/09/1221919109.db2.gz MQXZQHIRRUIPQY-HPBDAGMYSA-N 2 2 362.522 0.206 10 0 FCAELP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)[C@@H]1CN(C)CC[NH+]1C ZINC001119454752 1221919114 /nfs/dbraw/zinc/91/91/14/1221919114.db2.gz MQXZQHIRRUIPQY-HPBDAGMYSA-N 2 2 362.522 0.206 10 0 FCAELP C[C@H](NC(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001119454752 1221919119 /nfs/dbraw/zinc/91/91/19/1221919119.db2.gz MQXZQHIRRUIPQY-HPBDAGMYSA-N 2 2 362.522 0.206 10 0 FCAELP C[C@H](NC(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1)[C@@H]1CN(C)CC[N@H+]1C ZINC001119454752 1221919125 /nfs/dbraw/zinc/91/91/25/1221919125.db2.gz MQXZQHIRRUIPQY-HPBDAGMYSA-N 2 2 362.522 0.206 10 0 FCAELP O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1CC1CC[NH+](C2CCOCC2)CC1 ZINC001119699532 1221952240 /nfs/dbraw/zinc/95/22/40/1221952240.db2.gz SMLJJGDIBAXFQQ-INIZCTEOSA-N 2 2 361.446 0.764 10 0 FCAELP 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FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC3CC4(CC4(F)F)C3)C2)CC1 ZINC001328035644 1265474179 /nfs/dbraw/zinc/47/41/79/1265474179.db2.gz ISLRITFRVIBEPB-POZPTJLLSA-N 2 2 370.444 0.575 10 0 FCAELP COCCCC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001328540854 1265573596 /nfs/dbraw/zinc/57/35/96/1265573596.db2.gz AJLHQWGZICMTSD-HZPDHXFCSA-N 2 2 364.490 0.893 10 0 FCAELP Cc1nc(C)n(CC[NH2+]CC2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)n1 ZINC001328869557 1265634175 /nfs/dbraw/zinc/63/41/75/1265634175.db2.gz RCCVXSZZQCVHPE-QDIHITRGSA-N 2 2 357.462 0.906 10 0 FCAELP Cc1nc(C)n(CC[NH2+]CC2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)n1 ZINC001328869557 1265634185 /nfs/dbraw/zinc/63/41/85/1265634185.db2.gz RCCVXSZZQCVHPE-QDIHITRGSA-N 2 2 357.462 0.906 10 0 FCAELP C[NH+]1C[C@H](O)C[C@@]1(C)c1nnc(N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)n1CC1CC1 ZINC001518348284 1265661893 /nfs/dbraw/zinc/66/18/93/1265661893.db2.gz ZUEHBHVEHJVBQK-YKCBXCCJSA-N 2 2 374.533 0.988 10 0 FCAELP C[NH+]1C[C@H](O)C[C@@]1(C)c1nnc(N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)n1CC1CC1 ZINC001518348284 1265661901 /nfs/dbraw/zinc/66/19/01/1265661901.db2.gz ZUEHBHVEHJVBQK-YKCBXCCJSA-N 2 2 374.533 0.988 10 0 FCAELP C[NH+]1C[C@@H]2CN(c3nnc([C@]4(C)C[C@@H](O)C[N@@H+]4C)n3CC3CC3)C[C@]2(C)C1 ZINC001518348284 1265661910 /nfs/dbraw/zinc/66/19/10/1265661910.db2.gz ZUEHBHVEHJVBQK-YKCBXCCJSA-N 2 2 374.533 0.988 10 0 FCAELP C[NH+]1C[C@@H]2CN(c3nnc([C@]4(C)C[C@@H](O)C[N@H+]4C)n3CC3CC3)C[C@]2(C)C1 ZINC001518348284 1265661919 /nfs/dbraw/zinc/66/19/19/1265661919.db2.gz ZUEHBHVEHJVBQK-YKCBXCCJSA-N 2 2 374.533 0.988 10 0 FCAELP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001329952559 1265905786 /nfs/dbraw/zinc/90/57/86/1265905786.db2.gz QHNVSNRETCSKGG-HRCADAONSA-N 2 2 359.474 0.554 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1nnc(C2CCOCC2)[nH]1 ZINC001520328982 1265908258 /nfs/dbraw/zinc/90/82/58/1265908258.db2.gz QBVWTPOOUMQQLN-AWEZNQCLSA-N 2 2 366.510 0.629 10 0 FCAELP 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ZINC001520815110 1266008449 /nfs/dbraw/zinc/00/84/49/1266008449.db2.gz BNKIBJPNQVPJOQ-VYDXJSESSA-N 2 2 361.490 0.893 10 0 FCAELP CCC[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC001520815110 1266008462 /nfs/dbraw/zinc/00/84/62/1266008462.db2.gz BNKIBJPNQVPJOQ-VYDXJSESSA-N 2 2 361.490 0.893 10 0 FCAELP CC[NH+](CC)CC(=O)N1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001521941274 1266244735 /nfs/dbraw/zinc/24/47/35/1266244735.db2.gz ZEHIYXIQXXPLPZ-HZPDHXFCSA-N 2 2 363.506 0.905 10 0 FCAELP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001521945902 1266249080 /nfs/dbraw/zinc/24/90/80/1266249080.db2.gz PONPKRRCXPGVLA-BRWVUGGUSA-N 2 2 361.490 0.968 10 0 FCAELP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001521945902 1266249085 /nfs/dbraw/zinc/24/90/85/1266249085.db2.gz PONPKRRCXPGVLA-BRWVUGGUSA-N 2 2 361.490 0.968 10 0 FCAELP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001522013203 1266298478 /nfs/dbraw/zinc/29/84/78/1266298478.db2.gz URDKTZHYMVHUQO-HZPDHXFCSA-N 2 2 363.506 0.905 10 0 FCAELP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001522013203 1266298486 /nfs/dbraw/zinc/29/84/86/1266298486.db2.gz URDKTZHYMVHUQO-HZPDHXFCSA-N 2 2 363.506 0.905 10 0 FCAELP C[C@@H](CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC(=O)NC(N)=O)n1cc[nH+]c1 ZINC001264001981 1260361990 /nfs/dbraw/zinc/36/19/90/1260361990.db2.gz PLVCUAXGIUGRAW-RDBSUJKOSA-N 2 2 364.450 0.246 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@@H+]1CC(=O)NC(C)(C)C ZINC001264625697 1260384214 /nfs/dbraw/zinc/38/42/14/1260384214.db2.gz JIVHYXDNNXHVAT-XHSDSOJGSA-N 2 2 368.522 0.591 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@H+]1CC(=O)NC(C)(C)C ZINC001264625697 1260384218 /nfs/dbraw/zinc/38/42/18/1260384218.db2.gz JIVHYXDNNXHVAT-XHSDSOJGSA-N 2 2 368.522 0.591 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC[NH+]1CC(=O)NC(C)(C)C ZINC001264625697 1260384228 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PHBIMVDNYMYKFK-ZWKOTPCHSA-N 2 2 367.515 0.495 10 0 FCAELP CCC[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH+]cn1C)C2 ZINC001282775997 1261624706 /nfs/dbraw/zinc/62/47/06/1261624706.db2.gz GKKYJCKWGNHQAQ-OIISXLGYSA-N 2 2 361.490 0.943 10 0 FCAELP CCC[N@@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH+]cn1C)C2 ZINC001282775997 1261624710 /nfs/dbraw/zinc/62/47/10/1261624710.db2.gz GKKYJCKWGNHQAQ-OIISXLGYSA-N 2 2 361.490 0.943 10 0 FCAELP CC[C@H](C(=O)NCCC[NH+]1CCN(C(=O)[C@]23C[C@H]2COC3)CC1)[NH+](C)C ZINC001283820915 1261709607 /nfs/dbraw/zinc/70/96/07/1261709607.db2.gz RZPQAAVXLFNPMP-FCEWJHQRSA-N 2 2 366.506 0.014 10 0 FCAELP CC(C)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001284506199 1261761014 /nfs/dbraw/zinc/76/10/14/1261761014.db2.gz RKFGDAKJMDLDKI-KSZLIROESA-N 2 2 371.522 0.273 10 0 FCAELP CC(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001284506199 1261761017 /nfs/dbraw/zinc/76/10/17/1261761017.db2.gz RKFGDAKJMDLDKI-KSZLIROESA-N 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Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CCNC(=O)C2CC2)C1 ZINC001500260981 1264060822 /nfs/dbraw/zinc/06/08/22/1264060822.db2.gz DPJPDPIIFVIBHK-CLCXKQKWSA-N 2 2 359.474 0.630 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001500260981 1264060826 /nfs/dbraw/zinc/06/08/26/1264060826.db2.gz DPJPDPIIFVIBHK-CLCXKQKWSA-N 2 2 359.474 0.630 10 0 FCAELP C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](C[NH2+]C2CCOCC2)CC3)CC1 ZINC001322774320 1264261966 /nfs/dbraw/zinc/26/19/66/1264261966.db2.gz PXHYMUSOCPVBPG-HNNXBMFYSA-N 2 2 361.490 0.602 10 0 FCAELP Cc1cc(NC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n(C)n1 ZINC001505922873 1264283703 /nfs/dbraw/zinc/28/37/03/1264283703.db2.gz USDJNXMMKMMPND-RBSFLKMASA-N 2 2 364.494 0.444 10 0 FCAELP Cc1cc(NC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n(C)n1 ZINC001505922873 1264283710 /nfs/dbraw/zinc/28/37/10/1264283710.db2.gz USDJNXMMKMMPND-RBSFLKMASA-N 2 2 364.494 0.444 10 0 FCAELP 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C[C@H](C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)CS(C)(=O)=O ZINC001506886015 1264346152 /nfs/dbraw/zinc/34/61/52/1264346152.db2.gz DZKIQHRVFIIKRS-KJWHEZOQSA-N 2 2 368.503 0.678 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1C ZINC001511551277 1264553774 /nfs/dbraw/zinc/55/37/74/1264553774.db2.gz CSXCLRYCWMXIRF-HRCADAONSA-N 2 2 365.478 0.008 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1C ZINC001511551277 1264553793 /nfs/dbraw/zinc/55/37/93/1264553793.db2.gz CSXCLRYCWMXIRF-HRCADAONSA-N 2 2 365.478 0.008 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1C ZINC001511551277 1264553796 /nfs/dbraw/zinc/55/37/96/1264553796.db2.gz CSXCLRYCWMXIRF-HRCADAONSA-N 2 2 365.478 0.008 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1C ZINC001511551277 1264553800 /nfs/dbraw/zinc/55/38/00/1264553800.db2.gz CSXCLRYCWMXIRF-HRCADAONSA-N 2 2 365.478 0.008 10 0 FCAELP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001513269145 1265007737 /nfs/dbraw/zinc/00/77/37/1265007737.db2.gz JTGGWANBYZXEQS-GDBMZVCRSA-N 2 2 361.490 0.658 10 0 FCAELP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001514422385 1265351112 /nfs/dbraw/zinc/35/11/12/1265351112.db2.gz XSBTURMOLHPTGX-ARFHVFGLSA-N 2 2 361.490 0.941 10 0 FCAELP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001514418870 1265351345 /nfs/dbraw/zinc/35/13/45/1265351345.db2.gz BNSKSORGCUASNP-ARFHVFGLSA-N 2 2 361.490 0.941 10 0 FCAELP COC[C@H](O)C[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC001333180476 1266549106 /nfs/dbraw/zinc/54/91/06/1266549106.db2.gz GLZBJAPKCYEETB-BZUAXINKSA-N 2 2 362.474 0.881 10 0 FCAELP COC[C@H](O)C[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC001333180476 1266549112 /nfs/dbraw/zinc/54/91/12/1266549112.db2.gz GLZBJAPKCYEETB-BZUAXINKSA-N 2 2 362.474 0.881 10 0 FCAELP CC[NH+](CC)CC[C@H](C)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001522840449 1266586563 /nfs/dbraw/zinc/58/65/63/1266586563.db2.gz RXZJOUBOYYBFEB-IRXDYDNUSA-N 2 2 368.522 0.404 10 0 FCAELP C[N@@H+]1CC[C@@H](C(=O)N(CCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C2CC2)C1 ZINC001524008503 1266674211 /nfs/dbraw/zinc/67/42/11/1266674211.db2.gz PNJWIEAEBNZZAW-FVQBIDKESA-N 2 2 359.474 0.962 10 0 FCAELP C[N@H+]1CC[C@@H](C(=O)N(CCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C2CC2)C1 ZINC001524008503 1266674226 /nfs/dbraw/zinc/67/42/26/1266674226.db2.gz PNJWIEAEBNZZAW-FVQBIDKESA-N 2 2 359.474 0.962 10 0 FCAELP C[N@@H+]1CC[C@@H](C(=O)N(CCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C2CC2)C1 ZINC001524008503 1266674232 /nfs/dbraw/zinc/67/42/32/1266674232.db2.gz PNJWIEAEBNZZAW-FVQBIDKESA-N 2 2 359.474 0.962 10 0 FCAELP C[N@H+]1CC[C@@H](C(=O)N(CCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C2CC2)C1 ZINC001524008503 1266674236 /nfs/dbraw/zinc/67/42/36/1266674236.db2.gz PNJWIEAEBNZZAW-FVQBIDKESA-N 2 2 359.474 0.962 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC3(C)CC(F)(F)C3)C2)CC1 ZINC001333794499 1266718741 /nfs/dbraw/zinc/71/87/41/1266718741.db2.gz XFHYEJNSJDPIOT-ZDUSSCGKSA-N 2 2 372.460 0.823 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC3(C)CC(F)(F)C3)C2)CC1 ZINC001333794499 1266718747 /nfs/dbraw/zinc/71/87/47/1266718747.db2.gz XFHYEJNSJDPIOT-ZDUSSCGKSA-N 2 2 372.460 0.823 10 0 FCAELP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@H]1CCCC[N@H+]1C ZINC001528037759 1266940789 /nfs/dbraw/zinc/94/07/89/1266940789.db2.gz PZEIAGFTNDTUSQ-QAPCUYQASA-N 2 2 354.495 0.386 10 0 FCAELP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@H]1CCCC[N@@H+]1C ZINC001528037759 1266940793 /nfs/dbraw/zinc/94/07/93/1266940793.db2.gz PZEIAGFTNDTUSQ-QAPCUYQASA-N 2 2 354.495 0.386 10 0 FCAELP C[NH+]1CCCC[C@@H]1CNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001528037759 1266940803 /nfs/dbraw/zinc/94/08/03/1266940803.db2.gz PZEIAGFTNDTUSQ-QAPCUYQASA-N 2 2 354.495 0.386 10 0 FCAELP CCN(CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)C12CC[NH+](CC1)C2 ZINC001529122073 1267032299 /nfs/dbraw/zinc/03/22/99/1267032299.db2.gz FYVYXLOPWPSRKZ-HUUCEWRRSA-N 2 2 359.474 0.584 10 0 FCAELP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCC[C@@H]2C(N)=O)c1)[C@@H]1CCC[C@H]1O ZINC001542210062 1267491241 /nfs/dbraw/zinc/49/12/41/1267491241.db2.gz WBIDIOBSENYIEQ-KZNAEPCWSA-N 2 2 374.485 0.920 10 0 FCAELP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCC[C@@H]2C(N)=O)c1)[C@@H]1CCC[C@H]1O ZINC001542210062 1267491245 /nfs/dbraw/zinc/49/12/45/1267491245.db2.gz WBIDIOBSENYIEQ-KZNAEPCWSA-N 2 2 374.485 0.920 10 0 FCAELP C[NH+](CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)[C@@H]1CCC[C@H]1O ZINC001542210062 1267491246 /nfs/dbraw/zinc/49/12/46/1267491246.db2.gz WBIDIOBSENYIEQ-KZNAEPCWSA-N 2 2 374.485 0.920 10 0 FCAELP C[NH+](CC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)[C@@H]1CCC[C@H]1O ZINC001542210062 1267491249 /nfs/dbraw/zinc/49/12/49/1267491249.db2.gz WBIDIOBSENYIEQ-KZNAEPCWSA-N 2 2 374.485 0.920 10 0 FCAELP CC[N@@H+]1CC[C@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001544375214 1267578402 /nfs/dbraw/zinc/57/84/02/1267578402.db2.gz DXMLRKDCECSGHD-KRWDZBQOSA-N 2 2 366.506 0.158 10 0 FCAELP CC[N@H+]1CC[C@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001544375214 1267578409 /nfs/dbraw/zinc/57/84/09/1267578409.db2.gz DXMLRKDCECSGHD-KRWDZBQOSA-N 2 2 366.506 0.158 10 0 FCAELP C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2nc(C[NH+](C)C)cs2)CC[N@@H+]1C ZINC001340694684 1268625758 /nfs/dbraw/zinc/62/57/58/1268625758.db2.gz RKPFJOVLEFXDHV-NEPJUHHUSA-N 2 2 353.492 0.420 10 0 FCAELP C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2nc(C[NH+](C)C)cs2)CC[N@H+]1C ZINC001340694684 1268625764 /nfs/dbraw/zinc/62/57/64/1268625764.db2.gz RKPFJOVLEFXDHV-NEPJUHHUSA-N 2 2 353.492 0.420 10 0 FCAELP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001341069367 1268770010 /nfs/dbraw/zinc/77/00/10/1268770010.db2.gz CMWALALDTHRNEL-DLBZAZTESA-N 2 2 370.457 0.928 10 0 FCAELP C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C[NH2+]CCc2cnn(C)c2)C1 ZINC001565962148 1269534066 /nfs/dbraw/zinc/53/40/66/1269534066.db2.gz SMQVZOOPKUWABV-BPQIPLTHSA-N 2 2 363.506 0.510 10 0 FCAELP C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C[NH2+]CCc2cnn(C)c2)C1 ZINC001565962148 1269534071 /nfs/dbraw/zinc/53/40/71/1269534071.db2.gz SMQVZOOPKUWABV-BPQIPLTHSA-N 2 2 363.506 0.510 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[N@@H+]1Cc1cnon1 ZINC001566024618 1269562490 /nfs/dbraw/zinc/56/24/90/1269562490.db2.gz MLKXZQLPZNKYTG-JKSUJKDBSA-N 2 2 351.451 0.650 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[N@H+]1Cc1cnon1 ZINC001566024618 1269562500 /nfs/dbraw/zinc/56/25/00/1269562500.db2.gz MLKXZQLPZNKYTG-JKSUJKDBSA-N 2 2 351.451 0.650 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCn2cncn2)C1 ZINC001569685269 1269796280 /nfs/dbraw/zinc/79/62/80/1269796280.db2.gz MRGMUKBIIFQQOP-IIDMSEBBSA-N 2 2 357.462 0.644 10 0 FCAELP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001573855636 1270908875 /nfs/dbraw/zinc/90/88/75/1270908875.db2.gz DEEMKHWHHNYBRZ-GDBMZVCRSA-N 2 2 361.490 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C[C@@H]1[C@H](C(=O)NC[C@@H](NC(=O)CCc2c[nH+]cn2C)C2CC2)CC[N@@H+]1C ZINC001758618284 1290834135 /nfs/dbraw/zinc/83/41/35/1290834135.db2.gz ZGSQAQPTLGWSFL-KBRIMQKVSA-N 2 2 361.490 0.704 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@@H](NC(=O)CCc2c[nH+]cn2C)C2CC2)CC[N@H+]1C ZINC001758618284 1290834147 /nfs/dbraw/zinc/83/41/47/1290834147.db2.gz ZGSQAQPTLGWSFL-KBRIMQKVSA-N 2 2 361.490 0.704 10 0 FCAELP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCN2C(=O)N[C@@H](C)C2=O)CC1 ZINC001652430032 1291277978 /nfs/dbraw/zinc/27/79/78/1291277978.db2.gz QBIZHOXTBRQQDB-JYJNAYRXSA-N 2 2 351.495 0.417 10 0 FCAELP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001656369877 1291516333 /nfs/dbraw/zinc/51/63/33/1291516333.db2.gz QFBKPAGWRBXLBL-SOUVJXGZSA-N 2 2 368.503 0.272 10 0 FCAELP CCO[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C[NH2+]CCOC ZINC001656477742 1291529986 /nfs/dbraw/zinc/52/99/86/1291529986.db2.gz GCOOFIRSSLZHCW-ZMSDIMECSA-N 2 2 350.463 0.545 10 0 FCAELP CCO[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C[NH2+]CCO ZINC001656486900 1291532286 /nfs/dbraw/zinc/53/22/86/1291532286.db2.gz ARUVGRAWUUSJOM-SJLPKXTDSA-N 2 2 358.442 0.931 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1C[C@H](C)CS(C)(=O)=O ZINC001656759989 1291560179 /nfs/dbraw/zinc/56/01/79/1291560179.db2.gz VPRLWGHFLAQTHR-HRCADAONSA-N 2 2 359.536 0.732 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1C[C@H](C)CS(C)(=O)=O ZINC001656759989 1291560182 /nfs/dbraw/zinc/56/01/82/1291560182.db2.gz VPRLWGHFLAQTHR-HRCADAONSA-N 2 2 359.536 0.732 10 0 FCAELP CC(C)N(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001662685217 1291731387 /nfs/dbraw/zinc/73/13/87/1291731387.db2.gz FBJCFYIBBSFCNZ-BZUAXINKSA-N 2 2 361.490 0.829 10 0 FCAELP CN(CC[NH2+]C[C@H]1CCCS(=O)(=O)C1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001663992302 1291779699 /nfs/dbraw/zinc/77/96/99/1291779699.db2.gz KPPIJJOPPZDLPZ-MGPQQGTHSA-N 2 2 354.476 0.386 10 0 FCAELP CN(CC[NH2+]C[C@H]1CCCS(=O)(=O)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001663992302 1291779702 /nfs/dbraw/zinc/77/97/02/1291779702.db2.gz KPPIJJOPPZDLPZ-MGPQQGTHSA-N 2 2 354.476 0.386 10 0 FCAELP CC(C)CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001663993133 1291779756 /nfs/dbraw/zinc/77/97/56/1291779756.db2.gz SIKQXEPDBPUHIM-CHWSQXEVSA-N 2 2 364.450 0.043 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC001664740680 1291807867 /nfs/dbraw/zinc/80/78/67/1291807867.db2.gz IYFRQUDSHVYLNR-ARFHVFGLSA-N 2 2 357.462 0.644 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001664740680 1291807882 /nfs/dbraw/zinc/80/78/82/1291807882.db2.gz IYFRQUDSHVYLNR-ARFHVFGLSA-N 2 2 357.462 0.644 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCOCCO)C1 ZINC001664834947 1291818402 /nfs/dbraw/zinc/81/84/02/1291818402.db2.gz AZPFZJJPVSJRIR-ARFHVFGLSA-N 2 2 350.463 0.313 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCOCCO)C1 ZINC001664834947 1291818412 /nfs/dbraw/zinc/81/84/12/1291818412.db2.gz AZPFZJJPVSJRIR-ARFHVFGLSA-N 2 2 350.463 0.313 10 0 FCAELP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CC(=O)NCC(F)(F)F ZINC001665805725 1291883145 /nfs/dbraw/zinc/88/31/45/1291883145.db2.gz YPVFJSPCBPCLSB-HBNTYKKESA-N 2 2 361.368 0.676 10 0 FCAELP CCc1nc(C)c(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)o1 ZINC001667893396 1291948147 /nfs/dbraw/zinc/94/81/47/1291948147.db2.gz IRCRSFFAJWWKLU-MGPQQGTHSA-N 2 2 361.446 0.649 10 0 FCAELP O=C(NC[C@H](CO)[NH2+]CC1CCCC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001676560416 1292209632 /nfs/dbraw/zinc/20/96/32/1292209632.db2.gz VTBJGINBRPUKBQ-KURKYZTESA-N 2 2 369.506 0.123 10 0 FCAELP CN(CCC[NH2+]CC(=O)Nc1nncs1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001276057954 861307321 /nfs/dbraw/zinc/30/73/21/861307321.db2.gz LDQMDQSNSVJPEE-GHMZBOCLSA-N 2 2 363.447 0.442 10 0 FCAELP CC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC001117021809 846849077 /nfs/dbraw/zinc/84/90/77/846849077.db2.gz CUHQVCBWTPSAOF-UHFFFAOYSA-N 2 2 354.495 0.158 10 0 FCAELP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cncs1 ZINC001119770283 847970870 /nfs/dbraw/zinc/97/08/70/847970870.db2.gz SFTHTQXWHOAYTL-STQMWFEESA-N 2 2 365.503 0.605 10 0 FCAELP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cncs1 ZINC001119770283 847970875 /nfs/dbraw/zinc/97/08/75/847970875.db2.gz SFTHTQXWHOAYTL-STQMWFEESA-N 2 2 365.503 0.605 10 0 FCAELP O=C(NCC[N@@H+]1CCC2(C1)OCCO2)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC001123615019 848613695 /nfs/dbraw/zinc/61/36/95/848613695.db2.gz SGHLHGGFCHZHBU-GJZGRUSLSA-N 2 2 370.519 0.314 10 0 FCAELP O=C(NCC[N@H+]1CCC2(C1)OCCO2)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC001123615019 848613698 /nfs/dbraw/zinc/61/36/98/848613698.db2.gz SGHLHGGFCHZHBU-GJZGRUSLSA-N 2 2 370.519 0.314 10 0 FCAELP O=C(NCC[NH+]1CCC2(C1)OCCO2)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001123615019 848613701 /nfs/dbraw/zinc/61/37/01/848613701.db2.gz SGHLHGGFCHZHBU-GJZGRUSLSA-N 2 2 370.519 0.314 10 0 FCAELP O=C(NCC[NH+]1CCC2(C1)OCCO2)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001123615019 848613704 /nfs/dbraw/zinc/61/37/04/848613704.db2.gz SGHLHGGFCHZHBU-GJZGRUSLSA-N 2 2 370.519 0.314 10 0 FCAELP Cn1nc(C2CCOCC2)cc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC001123924271 848654929 /nfs/dbraw/zinc/65/49/29/848654929.db2.gz KSPMPODABNLGLP-UHFFFAOYSA-N 2 2 351.495 0.927 10 0 FCAELP Cn1nc(C2CCOCC2)cc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC001123924271 848654939 /nfs/dbraw/zinc/65/49/39/848654939.db2.gz KSPMPODABNLGLP-UHFFFAOYSA-N 2 2 351.495 0.927 10 0 FCAELP C[NH+]1CCN(Cc2ccc(C(=O)N[C@H](CO)C[NH+]3CCCC3)s2)CC1 ZINC001141653528 849403618 /nfs/dbraw/zinc/40/36/18/849403618.db2.gz DCWFUZDSQXUQRY-HNNXBMFYSA-N 2 2 366.531 0.682 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H](C[C@@H]1COCCO1)C(F)(F)F ZINC001146891188 849569541 /nfs/dbraw/zinc/56/95/41/849569541.db2.gz QPYVKOGMCIMZJW-ZIAGYGMSSA-N 2 2 369.428 0.970 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H](C[C@@H]1COCCO1)C(F)(F)F ZINC001146891188 849569546 /nfs/dbraw/zinc/56/95/46/849569546.db2.gz QPYVKOGMCIMZJW-ZIAGYGMSSA-N 2 2 369.428 0.970 10 0 FCAELP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCC[C@@]3(CCOC3)O2)CC1 ZINC001168331412 850582476 /nfs/dbraw/zinc/58/24/76/850582476.db2.gz FYUZUGGBKKGOFM-SCTDSRPQSA-N 2 2 351.491 0.953 10 0 FCAELP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCC[C@@]3(CCOC3)O2)CC1 ZINC001168331412 850582485 /nfs/dbraw/zinc/58/24/85/850582485.db2.gz FYUZUGGBKKGOFM-SCTDSRPQSA-N 2 2 351.491 0.953 10 0 FCAELP CCOCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001279508764 862926762 /nfs/dbraw/zinc/92/67/62/862926762.db2.gz FXNXNVDNCAXUPK-IIDMSEBBSA-N 2 2 350.463 0.503 10 0 FCAELP CCOCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001279508764 862926781 /nfs/dbraw/zinc/92/67/81/862926781.db2.gz FXNXNVDNCAXUPK-IIDMSEBBSA-N 2 2 350.463 0.503 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC001261819867 858675558 /nfs/dbraw/zinc/67/55/58/858675558.db2.gz LBOMWQHBZRBTJR-PWSUYJOCSA-N 2 2 361.368 0.065 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC001263782267 859212370 /nfs/dbraw/zinc/21/23/70/859212370.db2.gz BUCNUHNSTODRRB-RYQLBKOJSA-N 3 2 351.539 0.994 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC001263782267 859212377 /nfs/dbraw/zinc/21/23/77/859212377.db2.gz BUCNUHNSTODRRB-RYQLBKOJSA-N 3 2 351.539 0.994 10 0 FCAELP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001263782267 859212384 /nfs/dbraw/zinc/21/23/84/859212384.db2.gz BUCNUHNSTODRRB-RYQLBKOJSA-N 3 2 351.539 0.994 10 0 FCAELP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001263782267 859212390 /nfs/dbraw/zinc/21/23/90/859212390.db2.gz BUCNUHNSTODRRB-RYQLBKOJSA-N 3 2 351.539 0.994 10 0 FCAELP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)NCC2CC2)[C@@H]1C ZINC001264140586 859322502 /nfs/dbraw/zinc/32/25/02/859322502.db2.gz LLGKTRGZKQNMBU-PVAVHDDUSA-N 2 2 350.507 0.964 10 0 FCAELP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)NCC2CC2)[C@@H]1C ZINC001264140586 859322509 /nfs/dbraw/zinc/32/25/09/859322509.db2.gz LLGKTRGZKQNMBU-PVAVHDDUSA-N 2 2 350.507 0.964 10 0 FCAELP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)NCC2CC2)[C@@H]1C ZINC001264140586 859322515 /nfs/dbraw/zinc/32/25/15/859322515.db2.gz LLGKTRGZKQNMBU-PVAVHDDUSA-N 2 2 350.507 0.964 10 0 FCAELP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC2CC2)[C@@H]1C ZINC001264140586 859322520 /nfs/dbraw/zinc/32/25/20/859322520.db2.gz LLGKTRGZKQNMBU-PVAVHDDUSA-N 2 2 350.507 0.964 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001264175792 859345095 /nfs/dbraw/zinc/34/50/95/859345095.db2.gz ZANXIUBOHAZNIL-KGLIPLIRSA-N 2 2 350.467 0.063 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001264175792 859345109 /nfs/dbraw/zinc/34/51/09/859345109.db2.gz ZANXIUBOHAZNIL-KGLIPLIRSA-N 2 2 350.467 0.063 10 0 FCAELP C[C@H](C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)CS(C)(=O)=O ZINC001264424490 859353525 /nfs/dbraw/zinc/35/35/25/859353525.db2.gz JOJRKGDGGJFESX-KJWHEZOQSA-N 2 2 368.503 0.678 10 0 FCAELP C[C@H](C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)CS(C)(=O)=O ZINC001264424490 859353535 /nfs/dbraw/zinc/35/35/35/859353535.db2.gz JOJRKGDGGJFESX-KJWHEZOQSA-N 2 2 368.503 0.678 10 0 FCAELP C[C@@H](C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1)CS(C)(=O)=O ZINC001264658610 859417581 /nfs/dbraw/zinc/41/75/81/859417581.db2.gz SJTIABOLMDVNLA-XHSDSOJGSA-N 2 2 368.503 0.344 10 0 FCAELP C[C@@H](C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1)CS(C)(=O)=O ZINC001264658610 859417588 /nfs/dbraw/zinc/41/75/88/859417588.db2.gz SJTIABOLMDVNLA-XHSDSOJGSA-N 2 2 368.503 0.344 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001264713898 859434460 /nfs/dbraw/zinc/43/44/60/859434460.db2.gz LKTWSZYQJLDMCE-ILXRZTDVSA-N 2 2 354.476 0.287 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001264713898 859434464 /nfs/dbraw/zinc/43/44/64/859434464.db2.gz LKTWSZYQJLDMCE-ILXRZTDVSA-N 2 2 354.476 0.287 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2nc(C(F)F)no2)CC[N@@H+]1C ZINC001268307385 859527924 /nfs/dbraw/zinc/52/79/24/859527924.db2.gz HRIHZHYQPGHMBJ-OUAUKWLOSA-N 2 2 361.393 0.304 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2nc(C(F)F)no2)CC[N@H+]1C ZINC001268307385 859527933 /nfs/dbraw/zinc/52/79/33/859527933.db2.gz HRIHZHYQPGHMBJ-OUAUKWLOSA-N 2 2 361.393 0.304 10 0 FCAELP Cc1cc(NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)on1 ZINC001268732313 859540329 /nfs/dbraw/zinc/54/03/29/859540329.db2.gz XIKOVWRXSSDBIE-MGPQQGTHSA-N 2 2 351.451 0.698 10 0 FCAELP Cc1cc(NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)on1 ZINC001268732313 859540339 /nfs/dbraw/zinc/54/03/39/859540339.db2.gz XIKOVWRXSSDBIE-MGPQQGTHSA-N 2 2 351.451 0.698 10 0 FCAELP Cc1cc(NC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)on1 ZINC001268732313 859540347 /nfs/dbraw/zinc/54/03/47/859540347.db2.gz XIKOVWRXSSDBIE-MGPQQGTHSA-N 2 2 351.451 0.698 10 0 FCAELP Cc1cc(NC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)on1 ZINC001268732313 859540357 /nfs/dbraw/zinc/54/03/57/859540357.db2.gz XIKOVWRXSSDBIE-MGPQQGTHSA-N 2 2 351.451 0.698 10 0 FCAELP CS(=O)(=O)CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001269742473 859552775 /nfs/dbraw/zinc/55/27/75/859552775.db2.gz UHVMBYDEVVZKGU-RRFJBIMHSA-N 2 2 368.503 0.776 10 0 FCAELP CS(=O)(=O)CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001269742473 859552781 /nfs/dbraw/zinc/55/27/81/859552781.db2.gz UHVMBYDEVVZKGU-RRFJBIMHSA-N 2 2 368.503 0.776 10 0 FCAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[NH2+]CC1CCS(=O)(=O)CC1 ZINC001270428028 859749029 /nfs/dbraw/zinc/74/90/29/859749029.db2.gz UWGGBBHJWZGTQI-BPLDGKMQSA-N 2 2 368.503 0.680 10 0 FCAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[NH2+]CC1CCS(=O)(=O)CC1 ZINC001270428028 859749035 /nfs/dbraw/zinc/74/90/35/859749035.db2.gz UWGGBBHJWZGTQI-BPLDGKMQSA-N 2 2 368.503 0.680 10 0 FCAELP CC[C@@H](C[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1)OC ZINC001281808791 863759471 /nfs/dbraw/zinc/75/94/71/863759471.db2.gz RITLYDPMUPZCQN-RRFJBIMHSA-N 2 2 350.463 0.881 10 0 FCAELP CC[C@@H](C[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1)OC ZINC001281808791 863759479 /nfs/dbraw/zinc/75/94/79/863759479.db2.gz RITLYDPMUPZCQN-RRFJBIMHSA-N 2 2 350.463 0.881 10 0 FCAELP COC[C@H](O)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001284685838 864589188 /nfs/dbraw/zinc/58/91/88/864589188.db2.gz ACUYVCOXFOWROG-DTZQCDIJSA-N 2 2 350.463 0.737 10 0 FCAELP COC[C@H](O)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001284685838 864589193 /nfs/dbraw/zinc/58/91/93/864589193.db2.gz ACUYVCOXFOWROG-DTZQCDIJSA-N 2 2 350.463 0.737 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCCC[NH+]2CCN(C(=O)C(F)F)CC2)CC[N@@H+]1C ZINC001294669204 865847478 /nfs/dbraw/zinc/84/74/78/865847478.db2.gz OUHQUXBEKWZQOO-UONOGXRCSA-N 2 2 360.449 0.632 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCCC[NH+]2CCN(C(=O)C(F)F)CC2)CC[N@H+]1C ZINC001294669204 865847485 /nfs/dbraw/zinc/84/74/85/865847485.db2.gz OUHQUXBEKWZQOO-UONOGXRCSA-N 2 2 360.449 0.632 10 0 FCAELP CC[NH+](CC)CCSCC(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001295431262 865898006 /nfs/dbraw/zinc/89/80/06/865898006.db2.gz YPRIEQWNCTZUCU-OAHLLOKOSA-N 2 2 357.520 0.958 10 0 FCAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCCCNC(N)=O)CC2)CC1 ZINC001299519879 866180078 /nfs/dbraw/zinc/18/00/78/866180078.db2.gz CLHGXPKIWXTKTP-UHFFFAOYSA-N 2 2 353.511 0.844 10 0 FCAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCCCNC(N)=O)CC2)CC1 ZINC001299519879 866180084 /nfs/dbraw/zinc/18/00/84/866180084.db2.gz CLHGXPKIWXTKTP-UHFFFAOYSA-N 2 2 353.511 0.844 10 0 FCAELP COC(C)(C)[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001351164673 866797394 /nfs/dbraw/zinc/79/73/94/866797394.db2.gz LIANSZSHZFOICQ-KBPBESRZSA-N 2 2 354.495 0.201 10 0 FCAELP COC(C)(C)[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001351164673 866797403 /nfs/dbraw/zinc/79/74/03/866797403.db2.gz LIANSZSHZFOICQ-KBPBESRZSA-N 2 2 354.495 0.201 10 0 FCAELP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CCO[C@@H](C[NH+]4CCOCC4)C3)C[N@@H+]2C1 ZINC001352485812 867151653 /nfs/dbraw/zinc/15/16/53/867151653.db2.gz KPWZFMCHTPJQET-OWSLCNJRSA-N 2 2 351.491 0.666 10 0 FCAELP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CCO[C@@H](C[NH+]4CCOCC4)C3)C[N@H+]2C1 ZINC001352485812 867151667 /nfs/dbraw/zinc/15/16/67/867151667.db2.gz KPWZFMCHTPJQET-OWSLCNJRSA-N 2 2 351.491 0.666 10 0 FCAELP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NC[C@@H]2CCOC2)[C@@H]1C ZINC001316797028 867498855 /nfs/dbraw/zinc/49/88/55/867498855.db2.gz AVDJSXKELOYHEU-PMPSAXMXSA-N 2 2 354.495 0.060 10 0 FCAELP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NC[C@@H]2CCOC2)[C@@H]1C ZINC001316797028 867498865 /nfs/dbraw/zinc/49/88/65/867498865.db2.gz AVDJSXKELOYHEU-PMPSAXMXSA-N 2 2 354.495 0.060 10 0 FCAELP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCOC2)[C@@H]1C ZINC001316797028 867498870 /nfs/dbraw/zinc/49/88/70/867498870.db2.gz AVDJSXKELOYHEU-PMPSAXMXSA-N 2 2 354.495 0.060 10 0 FCAELP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCOC2)[C@@H]1C ZINC001316797028 867498876 /nfs/dbraw/zinc/49/88/76/867498876.db2.gz AVDJSXKELOYHEU-PMPSAXMXSA-N 2 2 354.495 0.060 10 0 FCAELP C[C@@H](CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)[NH2+]Cc1cncs1 ZINC001317252574 867525948 /nfs/dbraw/zinc/52/59/48/867525948.db2.gz BNUQPPQOGTWWEU-LZWOXQAQSA-N 2 2 368.503 0.617 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)NC3CC(CC(N)=O)C3)CC2)CC1 ZINC001354150259 867554316 /nfs/dbraw/zinc/55/43/16/867554316.db2.gz YPXNKUUVYJBESF-UHFFFAOYSA-N 2 2 351.495 0.498 10 0 FCAELP C[NH+]1CCN(C(=O)CC2CCN(C(=O)c3csc(C[NH3+])n3)CC2)CC1 ZINC001326014463 870140500 /nfs/dbraw/zinc/14/05/00/870140500.db2.gz XXFRVUFADGMGSZ-UHFFFAOYSA-N 2 2 365.503 0.618 10 0 FCAELP CN(C(=O)C(=O)N[C@H]1CSC1(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001343847303 870634353 /nfs/dbraw/zinc/63/43/53/870634353.db2.gz XJQNATLUNZPNOQ-GJZGRUSLSA-N 2 2 368.547 0.624 10 0 FCAELP CN(C(=O)C(=O)N[C@H]1CSC1(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001343847303 870634364 /nfs/dbraw/zinc/63/43/64/870634364.db2.gz XJQNATLUNZPNOQ-GJZGRUSLSA-N 2 2 368.547 0.624 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CSC3(C)C)C2)CC1 ZINC001328841767 871659468 /nfs/dbraw/zinc/65/94/68/871659468.db2.gz BMPZRGSIEVGBKH-OCCSQVGLSA-N 2 2 354.520 0.281 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CSC3(C)C)C2)CC1 ZINC001328841767 871659474 /nfs/dbraw/zinc/65/94/74/871659474.db2.gz BMPZRGSIEVGBKH-OCCSQVGLSA-N 2 2 354.520 0.281 10 0 FCAELP COCCc1noc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001331453833 873111151 /nfs/dbraw/zinc/11/11/51/873111151.db2.gz BESOBWYOIBZDCW-BFHYXJOUSA-N 2 2 353.467 0.535 10 0 FCAELP COCCc1noc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001331453833 873111158 /nfs/dbraw/zinc/11/11/58/873111158.db2.gz BESOBWYOIBZDCW-BFHYXJOUSA-N 2 2 353.467 0.535 10 0 FCAELP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292264864 214090602 /nfs/dbraw/zinc/09/06/02/214090602.db2.gz YZXKAZRTINSOOI-LPHOPBHVSA-N 2 2 358.490 0.541 10 0 FCAELP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292264864 214090605 /nfs/dbraw/zinc/09/06/05/214090605.db2.gz YZXKAZRTINSOOI-LPHOPBHVSA-N 2 2 358.490 0.541 10 0 FCAELP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292264864 214090607 /nfs/dbraw/zinc/09/06/07/214090607.db2.gz YZXKAZRTINSOOI-LPHOPBHVSA-N 2 2 358.490 0.541 10 0 FCAELP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292264864 214090610 /nfs/dbraw/zinc/09/06/10/214090610.db2.gz YZXKAZRTINSOOI-LPHOPBHVSA-N 2 2 358.490 0.541 10 0 FCAELP O[C@H]1COCC[N@H+](Cc2cc(Cl)cc(C[NH+]3CCOC[C@@H](O)C3)c2)C1 ZINC000295552662 214304094 /nfs/dbraw/zinc/30/40/94/214304094.db2.gz KLTRGZZQMCUKBF-HDICACEKSA-N 2 2 370.877 0.726 10 0 FCAELP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000930492097 674031586 /nfs/dbraw/zinc/03/15/86/674031586.db2.gz VMJGVDWAQUVJNB-BXUZGUMPSA-N 2 2 365.503 0.420 10 0 FCAELP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000930492097 674031593 /nfs/dbraw/zinc/03/15/93/674031593.db2.gz VMJGVDWAQUVJNB-BXUZGUMPSA-N 2 2 365.503 0.420 10 0 FCAELP C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000410491477 530066299 /nfs/dbraw/zinc/06/62/99/530066299.db2.gz VSOQWVHTOOFTPB-KRWDZBQOSA-N 2 2 350.507 0.875 10 0 FCAELP CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1ccc2c(c1)C[NH+](CC(N)=O)CC2 ZINC000333025880 215226391 /nfs/dbraw/zinc/22/63/91/215226391.db2.gz KSRTVYRBAAAHHI-KRWDZBQOSA-N 2 2 374.489 0.947 10 0 FCAELP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Nc1ccc2c(c1)C[NH+](CC(N)=O)CC2 ZINC000333025880 215226394 /nfs/dbraw/zinc/22/63/94/215226394.db2.gz KSRTVYRBAAAHHI-KRWDZBQOSA-N 2 2 374.489 0.947 10 0 FCAELP CN1CC[NH+](C)C[C@@H]1CNC(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000333025880 215226397 /nfs/dbraw/zinc/22/63/97/215226397.db2.gz KSRTVYRBAAAHHI-KRWDZBQOSA-N 2 2 374.489 0.947 10 0 FCAELP CN1CC[NH+](C)C[C@@H]1CNC(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000333025880 215226399 /nfs/dbraw/zinc/22/63/99/215226399.db2.gz KSRTVYRBAAAHHI-KRWDZBQOSA-N 2 2 374.489 0.947 10 0 FCAELP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333490495 215288243 /nfs/dbraw/zinc/28/82/43/215288243.db2.gz DFHIERJJWKMWKS-ZDUSSCGKSA-N 2 2 358.450 0.337 10 0 FCAELP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000285379670 213333075 /nfs/dbraw/zinc/33/30/75/213333075.db2.gz HQGUBFZJSPPTSL-UHFFFAOYSA-N 2 2 368.441 0.499 10 0 FCAELP O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000285016499 213266563 /nfs/dbraw/zinc/26/65/63/213266563.db2.gz MPWQCGAGGJIPKS-UHFFFAOYSA-N 2 2 362.499 0.529 10 0 FCAELP O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000285016499 213266566 /nfs/dbraw/zinc/26/65/66/213266566.db2.gz MPWQCGAGGJIPKS-UHFFFAOYSA-N 2 2 362.499 0.529 10 0 FCAELP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000284952508 213256097 /nfs/dbraw/zinc/25/60/97/213256097.db2.gz OKMZHQYDWGQXLO-HNNXBMFYSA-N 2 2 370.457 0.684 10 0 FCAELP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000284952508 213256101 /nfs/dbraw/zinc/25/61/01/213256101.db2.gz OKMZHQYDWGQXLO-HNNXBMFYSA-N 2 2 370.457 0.684 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](O)[C@H](CO)C2)CC1 ZINC000412054974 237148274 /nfs/dbraw/zinc/14/82/74/237148274.db2.gz NPRFRHJTGGPHAX-NEWSRXKRSA-N 2 2 361.486 0.567 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](O)[C@H](CO)C2)CC1 ZINC000412054974 237148280 /nfs/dbraw/zinc/14/82/80/237148280.db2.gz NPRFRHJTGGPHAX-NEWSRXKRSA-N 2 2 361.486 0.567 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)CC1 ZINC000412054978 237149411 /nfs/dbraw/zinc/14/94/11/237149411.db2.gz NPRFRHJTGGPHAX-QRQLOZEOSA-N 2 2 361.486 0.567 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](O)[C@@H](CO)C2)CC1 ZINC000412054978 237149423 /nfs/dbraw/zinc/14/94/23/237149423.db2.gz NPRFRHJTGGPHAX-QRQLOZEOSA-N 2 2 361.486 0.567 10 0 FCAELP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368156211 216208561 /nfs/dbraw/zinc/20/85/61/216208561.db2.gz AICJBDICPJUBPQ-CQSZACIVSA-N 2 2 371.441 0.962 10 0 FCAELP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368156211 216208563 /nfs/dbraw/zinc/20/85/63/216208563.db2.gz AICJBDICPJUBPQ-CQSZACIVSA-N 2 2 371.441 0.962 10 0 FCAELP C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000246545217 209389387 /nfs/dbraw/zinc/38/93/87/209389387.db2.gz XTZLMSRAZIKCBF-QZTJIDSGSA-N 2 2 362.474 0.690 10 0 FCAELP C[N@H+]1CCO[C@H](CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000246545217 209389389 /nfs/dbraw/zinc/38/93/89/209389389.db2.gz XTZLMSRAZIKCBF-QZTJIDSGSA-N 2 2 362.474 0.690 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)CC1 ZINC000246198030 209381815 /nfs/dbraw/zinc/38/18/15/209381815.db2.gz AJCKXEPHTDGMQQ-RBUKOAKNSA-N 3 2 365.566 0.641 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)CC1 ZINC000246198030 209381818 /nfs/dbraw/zinc/38/18/18/209381818.db2.gz AJCKXEPHTDGMQQ-RBUKOAKNSA-N 3 2 365.566 0.641 10 0 FCAELP CCN1CCN(C(=O)[C@H](C)[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)CC1 ZINC000246198030 209381821 /nfs/dbraw/zinc/38/18/21/209381821.db2.gz AJCKXEPHTDGMQQ-RBUKOAKNSA-N 2 2 365.566 0.641 10 0 FCAELP CCN1CCN(C(=O)[C@H](C)[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)CC1 ZINC000246198030 209381823 /nfs/dbraw/zinc/38/18/23/209381823.db2.gz AJCKXEPHTDGMQQ-RBUKOAKNSA-N 2 2 365.566 0.641 10 0 FCAELP CCOC(=O)C1CCC(O)(C[C@H](O)C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)CC1 ZINC000931276879 674106673 /nfs/dbraw/zinc/10/66/73/674106673.db2.gz KUFGFANVTHLIFI-USWIILLASA-N 2 2 354.491 0.714 10 0 FCAELP CCOC(=O)C1CCC(O)(C[C@H](O)C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)CC1 ZINC000931276879 674106674 /nfs/dbraw/zinc/10/66/74/674106674.db2.gz KUFGFANVTHLIFI-USWIILLASA-N 2 2 354.491 0.714 10 0 FCAELP CNC(=O)C[N@@H+]1CCCN(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)CC1 ZINC000368829548 216302833 /nfs/dbraw/zinc/30/28/33/216302833.db2.gz LPTYSLHIOHXLBZ-UHFFFAOYSA-N 2 2 373.501 0.887 10 0 FCAELP CNC(=O)C[N@H+]1CCCN(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)CC1 ZINC000368829548 216302836 /nfs/dbraw/zinc/30/28/36/216302836.db2.gz LPTYSLHIOHXLBZ-UHFFFAOYSA-N 2 2 373.501 0.887 10 0 FCAELP CC[N@@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)C[C@H](O)C(F)(F)F ZINC000189507089 209253807 /nfs/dbraw/zinc/25/38/07/209253807.db2.gz VIOIWGBIVZKSDR-KGLIPLIRSA-N 2 2 369.428 0.705 10 0 FCAELP CC[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)C[C@H](O)C(F)(F)F ZINC000189507089 209253809 /nfs/dbraw/zinc/25/38/09/209253809.db2.gz VIOIWGBIVZKSDR-KGLIPLIRSA-N 2 2 369.428 0.705 10 0 FCAELP CC[NH+](CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C[C@H](O)C(F)(F)F ZINC000189507089 209253811 /nfs/dbraw/zinc/25/38/11/209253811.db2.gz VIOIWGBIVZKSDR-KGLIPLIRSA-N 2 2 369.428 0.705 10 0 FCAELP CC[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)C[C@H](O)C(F)(F)F ZINC000189507089 209253813 /nfs/dbraw/zinc/25/38/13/209253813.db2.gz VIOIWGBIVZKSDR-KGLIPLIRSA-N 2 2 369.428 0.705 10 0 FCAELP C[N@H+](C[C@H](O)CN1CCCC1=O)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188292560 209228883 /nfs/dbraw/zinc/22/88/83/209228883.db2.gz HHHLYUMYTRELDC-AZUAARDMSA-N 2 2 361.486 0.539 10 0 FCAELP C[N@@H+](C[C@H](O)CN1CCCC1=O)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188292560 209228889 /nfs/dbraw/zinc/22/88/89/209228889.db2.gz HHHLYUMYTRELDC-AZUAARDMSA-N 2 2 361.486 0.539 10 0 FCAELP C[NH+](C[C@H](O)CN1CCCC1=O)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188292560 209228892 /nfs/dbraw/zinc/22/88/92/209228892.db2.gz HHHLYUMYTRELDC-AZUAARDMSA-N 2 2 361.486 0.539 10 0 FCAELP C[NH+](C[C@H](O)CN1CCCC1=O)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188292560 209228897 /nfs/dbraw/zinc/22/88/97/209228897.db2.gz HHHLYUMYTRELDC-AZUAARDMSA-N 2 2 361.486 0.539 10 0 FCAELP CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)[NH+]1CCOCC1 ZINC000414684848 245309551 /nfs/dbraw/zinc/30/95/51/245309551.db2.gz WZSOLKPCPPQVGH-QGZVFWFLSA-N 2 2 360.458 0.701 10 0 FCAELP CC(C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)[NH+]1CCOCC1 ZINC000414684847 245312672 /nfs/dbraw/zinc/31/26/72/245312672.db2.gz WZSOLKPCPPQVGH-KRWDZBQOSA-N 2 2 360.458 0.701 10 0 FCAELP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C[C@H](C)O1 ZINC000415193281 245358986 /nfs/dbraw/zinc/35/89/86/245358986.db2.gz JSXIAZZIQZXYKB-OKILXGFUSA-N 2 2 360.458 0.796 10 0 FCAELP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C[C@H](C)O1 ZINC000415193281 245358994 /nfs/dbraw/zinc/35/89/94/245358994.db2.gz JSXIAZZIQZXYKB-OKILXGFUSA-N 2 2 360.458 0.796 10 0 FCAELP CC[C@H](O)C[NH+]1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)CC1 ZINC000184823797 209168031 /nfs/dbraw/zinc/16/80/31/209168031.db2.gz OSSHWCQKBXXFHJ-INIZCTEOSA-N 2 2 358.446 0.865 10 0 FCAELP Cn1ccnc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1=O ZINC000183886724 209153766 /nfs/dbraw/zinc/15/37/66/209153766.db2.gz NXRSAPQPNRTCSC-UHFFFAOYSA-N 2 2 362.478 0.852 10 0 FCAELP COC1(OC)CC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@H]1O ZINC000931632564 674123708 /nfs/dbraw/zinc/12/37/08/674123708.db2.gz SOYAAKHFOCEWOZ-QZTJIDSGSA-N 2 2 350.459 0.679 10 0 FCAELP COC1(OC)CC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@H]1O ZINC000931632564 674123711 /nfs/dbraw/zinc/12/37/11/674123711.db2.gz SOYAAKHFOCEWOZ-QZTJIDSGSA-N 2 2 350.459 0.679 10 0 FCAELP COC1(OC)CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@H]1O ZINC000931632564 674123713 /nfs/dbraw/zinc/12/37/13/674123713.db2.gz SOYAAKHFOCEWOZ-QZTJIDSGSA-N 2 2 350.459 0.679 10 0 FCAELP COC1(OC)CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@H]1O ZINC000931632564 674123715 /nfs/dbraw/zinc/12/37/15/674123715.db2.gz SOYAAKHFOCEWOZ-QZTJIDSGSA-N 2 2 350.459 0.679 10 0 FCAELP CC(C)Nc1nc(N2CCCC[C@H]([NH+]3CCCC3)C2)nc(NCCO)[nH+]1 ZINC000376214740 217370125 /nfs/dbraw/zinc/37/01/25/217370125.db2.gz ZIQBUPLPRKKJJE-HNNXBMFYSA-N 2 2 363.510 0.395 10 0 FCAELP C[NH+](C)CCOc1cc(CNC(=O)C2([NH+]3CCOCC3)CCC2)ccn1 ZINC000376283949 217379806 /nfs/dbraw/zinc/37/98/06/217379806.db2.gz XFFYXHLNYKTUAO-UHFFFAOYSA-N 2 2 362.474 0.893 10 0 FCAELP [NH3+]C[C@H](NC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1)C1CCCC1 ZINC000419645898 246227979 /nfs/dbraw/zinc/22/79/79/246227979.db2.gz KNACXWNVBQEQEE-INIZCTEOSA-N 2 2 359.474 0.800 10 0 FCAELP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000419647064 246228912 /nfs/dbraw/zinc/22/89/12/246228912.db2.gz QQSYDAXHQIAGMV-LSDHHAIUSA-N 2 2 355.442 0.756 10 0 FCAELP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000419915369 246365617 /nfs/dbraw/zinc/36/56/17/246365617.db2.gz PDOIOXSPUZIWIV-UXLLHSPISA-N 2 2 362.474 0.370 10 0 FCAELP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000419915369 246365623 /nfs/dbraw/zinc/36/56/23/246365623.db2.gz PDOIOXSPUZIWIV-UXLLHSPISA-N 2 2 362.474 0.370 10 0 FCAELP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000419915368 246366591 /nfs/dbraw/zinc/36/65/91/246366591.db2.gz PDOIOXSPUZIWIV-HLLBOEOZSA-N 2 2 362.474 0.370 10 0 FCAELP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000419915368 246366593 /nfs/dbraw/zinc/36/65/93/246366593.db2.gz PDOIOXSPUZIWIV-HLLBOEOZSA-N 2 2 362.474 0.370 10 0 FCAELP [NH3+][C@@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000419925431 246370224 /nfs/dbraw/zinc/37/02/24/246370224.db2.gz IQJKBRVCWPTKOV-ROUUACIJSA-N 2 2 374.485 0.516 10 0 FCAELP [NH3+][C@@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000419933341 246375320 /nfs/dbraw/zinc/37/53/20/246375320.db2.gz QLYMZJBEGDVROH-SJORKVTESA-N 2 2 360.458 0.126 10 0 FCAELP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000419895344 246356731 /nfs/dbraw/zinc/35/67/31/246356731.db2.gz SFMQMHVJHIBTAL-LSDHHAIUSA-N 2 2 359.474 0.794 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000419900973 246360019 /nfs/dbraw/zinc/36/00/19/246360019.db2.gz SUUPYXBEKKDCQU-HZPDHXFCSA-N 2 2 359.474 0.543 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1 ZINC000423738474 247135025 /nfs/dbraw/zinc/13/50/25/247135025.db2.gz QSJSTDBNGDZUQX-ZBFHGGJFSA-N 2 2 359.474 0.624 10 0 FCAELP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)c1 ZINC000424456993 247224489 /nfs/dbraw/zinc/22/44/89/247224489.db2.gz QJWYPJWLXWMCMT-UHFFFAOYSA-N 2 2 370.457 0.470 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)NC[C@@H]3CCCC[N@@H+]3CCO)ccc2[nH+]1 ZINC000453823698 249376588 /nfs/dbraw/zinc/37/65/88/249376588.db2.gz RRNJWEVQQHVBPJ-HNNXBMFYSA-N 2 2 359.430 0.544 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)NC[C@@H]3CCCC[N@H+]3CCO)ccc2[nH+]1 ZINC000453823698 249376590 /nfs/dbraw/zinc/37/65/90/249376590.db2.gz RRNJWEVQQHVBPJ-HNNXBMFYSA-N 2 2 359.430 0.544 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000270048259 211145848 /nfs/dbraw/zinc/14/58/48/211145848.db2.gz GXDJKNQDNOKGGS-MRXNPFEDSA-N 2 2 374.489 0.466 10 0 FCAELP O=C(NCCC[NH+]1CCOCC1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000073426257 208047563 /nfs/dbraw/zinc/04/75/63/208047563.db2.gz DFJLZRZZIUCBKK-KRWDZBQOSA-N 2 2 354.495 0.605 10 0 FCAELP C[C@@H](CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1)[NH+]1CCOCC1 ZINC000078030045 208078937 /nfs/dbraw/zinc/07/89/37/208078937.db2.gz KBNIGDLEKROAFK-KRWDZBQOSA-N 2 2 361.490 0.431 10 0 FCAELP CN1CC[NH+]([C@@H]2CCCCN(C(=O)NCCC[NH+]3CCOCC3)C2)CC1 ZINC000091843093 208141353 /nfs/dbraw/zinc/14/13/53/208141353.db2.gz XFHTXNSYOPPVRO-GOSISDBHSA-N 2 2 367.538 0.520 10 0 FCAELP C[NH+]1CCN([C@@H]2CCCCN(C(=O)NCCC[NH+]3CCOCC3)C2)CC1 ZINC000091843093 208141359 /nfs/dbraw/zinc/14/13/59/208141359.db2.gz XFHTXNSYOPPVRO-GOSISDBHSA-N 2 2 367.538 0.520 10 0 FCAELP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000092320608 208144054 /nfs/dbraw/zinc/14/40/54/208144054.db2.gz XTLHJVHCESVTPZ-UONOGXRCSA-N 2 2 372.477 0.678 10 0 FCAELP COCCCNC(=O)[C@H](C)[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106121697 208209379 /nfs/dbraw/zinc/20/93/79/208209379.db2.gz GDWWRBFJXKVXOD-ROUUACIJSA-N 2 2 370.538 0.254 10 0 FCAELP COCCCNC(=O)[C@H](C)[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106121697 208209385 /nfs/dbraw/zinc/20/93/85/208209385.db2.gz GDWWRBFJXKVXOD-ROUUACIJSA-N 2 2 370.538 0.254 10 0 FCAELP C[N@@H+]1CCO[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000104778173 208187974 /nfs/dbraw/zinc/18/79/74/208187974.db2.gz KHVOGMGTWGAOGV-GOSISDBHSA-N 2 2 362.474 0.649 10 0 FCAELP C[N@H+]1CCO[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000104778173 208187980 /nfs/dbraw/zinc/18/79/80/208187980.db2.gz KHVOGMGTWGAOGV-GOSISDBHSA-N 2 2 362.474 0.649 10 0 FCAELP COc1cccc([C@H](CNC(=O)NC[C@H]2C[N@H+](C)CCO2)[NH+](C)C)c1 ZINC000105083164 208190265 /nfs/dbraw/zinc/19/02/65/208190265.db2.gz ZSUUWROMEAUNMX-IRXDYDNUSA-N 2 2 350.463 0.928 10 0 FCAELP COc1cccc([C@H](CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)[NH+](C)C)c1 ZINC000105083164 208190269 /nfs/dbraw/zinc/19/02/69/208190269.db2.gz ZSUUWROMEAUNMX-IRXDYDNUSA-N 2 2 350.463 0.928 10 0 FCAELP COCC[N@@H+]1CCN(CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC000106109051 208211589 /nfs/dbraw/zinc/21/15/89/208211589.db2.gz YXFUOFKSACUOQI-ZWKOTPCHSA-N 2 2 370.538 0.112 10 0 FCAELP COCC[N@H+]1CCN(CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC000106109051 208211593 /nfs/dbraw/zinc/21/15/93/208211593.db2.gz YXFUOFKSACUOQI-ZWKOTPCHSA-N 2 2 370.538 0.112 10 0 FCAELP COCC[NH+]1CCN(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC000106109051 208211601 /nfs/dbraw/zinc/21/16/01/208211601.db2.gz YXFUOFKSACUOQI-ZWKOTPCHSA-N 2 2 370.538 0.112 10 0 FCAELP COCC[NH+]1CCN(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC000106109051 208211607 /nfs/dbraw/zinc/21/16/07/208211607.db2.gz YXFUOFKSACUOQI-ZWKOTPCHSA-N 2 2 370.538 0.112 10 0 FCAELP CCOC(=O)CCCNC(=O)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000111230794 208276394 /nfs/dbraw/zinc/27/63/94/208276394.db2.gz HWVNNJJEWNZQEG-QGZVFWFLSA-N 2 2 368.522 0.548 10 0 FCAELP CCOC(=O)CCCNC(=O)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000111230794 208276399 /nfs/dbraw/zinc/27/63/99/208276399.db2.gz HWVNNJJEWNZQEG-QGZVFWFLSA-N 2 2 368.522 0.548 10 0 FCAELP CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109753614 208261061 /nfs/dbraw/zinc/26/10/61/208261061.db2.gz CGOQLUFHVZXKCG-CVEARBPZSA-N 2 2 353.511 0.711 10 0 FCAELP CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109753614 208261064 /nfs/dbraw/zinc/26/10/64/208261064.db2.gz CGOQLUFHVZXKCG-CVEARBPZSA-N 2 2 353.511 0.711 10 0 FCAELP Cc1noc(COCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000114322196 208309540 /nfs/dbraw/zinc/30/95/40/208309540.db2.gz DFJWYAARJKWBKA-UHFFFAOYSA-N 2 2 351.451 0.569 10 0 FCAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000116519079 208332223 /nfs/dbraw/zinc/33/22/23/208332223.db2.gz CWORWQDRGCRKLO-AEFFLSMTSA-N 2 2 361.490 0.923 10 0 FCAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000116519079 208332231 /nfs/dbraw/zinc/33/22/31/208332231.db2.gz CWORWQDRGCRKLO-AEFFLSMTSA-N 2 2 361.490 0.923 10 0 FCAELP O=C(NCCn1cc[nH+]c1)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000117467887 208345216 /nfs/dbraw/zinc/34/52/16/208345216.db2.gz OLBFIVRCMCXOFF-QGZVFWFLSA-N 2 2 373.457 0.650 10 0 FCAELP C[C@@H]1CCN(C(=O)[C@H]([NH3+])CCS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC000119320661 208358999 /nfs/dbraw/zinc/35/89/99/208358999.db2.gz QVOVQZJTZJUXEE-NVXWUHKLSA-N 2 2 367.515 0.871 10 0 FCAELP C[C@@H]1CCN(C(=O)[C@H]([NH3+])CCS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC000119320661 208359007 /nfs/dbraw/zinc/35/90/07/208359007.db2.gz QVOVQZJTZJUXEE-NVXWUHKLSA-N 2 2 367.515 0.871 10 0 FCAELP COCCCNC(=O)[C@@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119591127 208363640 /nfs/dbraw/zinc/36/36/40/208363640.db2.gz IRZXSDOMUCUJMY-HRBLRVMOSA-N 2 2 352.523 0.770 10 0 FCAELP COCCCNC(=O)[C@@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119591127 208363648 /nfs/dbraw/zinc/36/36/48/208363648.db2.gz IRZXSDOMUCUJMY-HRBLRVMOSA-N 2 2 352.523 0.770 10 0 FCAELP COCCCNC(=O)[C@@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119591127 208363654 /nfs/dbraw/zinc/36/36/54/208363654.db2.gz IRZXSDOMUCUJMY-HRBLRVMOSA-N 2 2 352.523 0.770 10 0 FCAELP COCCCNC(=O)[C@@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119591127 208363660 /nfs/dbraw/zinc/36/36/60/208363660.db2.gz IRZXSDOMUCUJMY-HRBLRVMOSA-N 2 2 352.523 0.770 10 0 FCAELP CNc1[nH+]cnc2c1cnn2CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000194429448 533088792 /nfs/dbraw/zinc/08/87/92/533088792.db2.gz RIOKVPACUMRWKT-CYBMUJFWSA-N 2 2 361.450 0.341 10 0 FCAELP CNc1[nH+]cnc2c1cnn2CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000194429448 533088798 /nfs/dbraw/zinc/08/87/98/533088798.db2.gz RIOKVPACUMRWKT-CYBMUJFWSA-N 2 2 361.450 0.341 10 0 FCAELP CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC1 ZINC000177908228 209038552 /nfs/dbraw/zinc/03/85/52/209038552.db2.gz PHVNIFKBWGZDGG-QGZVFWFLSA-N 2 2 360.458 0.486 10 0 FCAELP CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC1 ZINC000177908228 209038555 /nfs/dbraw/zinc/03/85/55/209038555.db2.gz PHVNIFKBWGZDGG-QGZVFWFLSA-N 2 2 360.458 0.486 10 0 FCAELP CCN(C(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000178326467 209048725 /nfs/dbraw/zinc/04/87/25/209048725.db2.gz WWMZYOBCKAGJNE-HZPDHXFCSA-N 2 2 368.503 0.692 10 0 FCAELP CCN(C(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000178326467 209048728 /nfs/dbraw/zinc/04/87/28/209048728.db2.gz WWMZYOBCKAGJNE-HZPDHXFCSA-N 2 2 368.503 0.692 10 0 FCAELP C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000179834179 209087491 /nfs/dbraw/zinc/08/74/91/209087491.db2.gz SVRVCYUFGYLRAW-SFHVURJKSA-N 2 2 374.485 0.710 10 0 FCAELP C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000179834179 209087488 /nfs/dbraw/zinc/08/74/88/209087488.db2.gz SVRVCYUFGYLRAW-SFHVURJKSA-N 2 2 374.485 0.710 10 0 FCAELP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2S(=O)(=O)CC[NH+]2CCCC2)C[C@H](C)O1 ZINC000189422151 229254977 /nfs/dbraw/zinc/25/49/77/229254977.db2.gz CJIMSCLGGTUEIL-BBWFWOEESA-N 2 2 359.536 0.986 10 0 FCAELP C[C@@H]1C[N@H+](C[C@@H]2CCCN2S(=O)(=O)CC[NH+]2CCCC2)C[C@H](C)O1 ZINC000189422151 229254980 /nfs/dbraw/zinc/25/49/80/229254980.db2.gz CJIMSCLGGTUEIL-BBWFWOEESA-N 2 2 359.536 0.986 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N(CC[NH+](C)C)C(C)C)CC1 ZINC000410884417 230289635 /nfs/dbraw/zinc/28/96/35/230289635.db2.gz JXGASBBAWHFEFJ-UHFFFAOYSA-N 2 2 361.490 0.837 10 0 FCAELP CS[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@@H]1[NH+](C)C ZINC000935111475 674307412 /nfs/dbraw/zinc/30/74/12/674307412.db2.gz OSKOWCKIZPCUFU-FXUDXRNXSA-N 2 2 357.520 0.370 10 0 FCAELP Cc1cc(NCCNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000627418676 484359059 /nfs/dbraw/zinc/35/90/59/484359059.db2.gz YPIZOZPTLURXPR-GXTWGEPZSA-N 2 2 362.478 0.551 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)NC[C@H](C)[N@H+](C)C3CC3)CC2)cc[nH+]1 ZINC000287730351 488899674 /nfs/dbraw/zinc/89/96/74/488899674.db2.gz GFHPTCQPLORYIZ-ZDUSSCGKSA-N 2 2 360.462 0.033 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)NC[C@H](C)[N@@H+](C)C3CC3)CC2)cc[nH+]1 ZINC000287730351 488899677 /nfs/dbraw/zinc/89/96/77/488899677.db2.gz GFHPTCQPLORYIZ-ZDUSSCGKSA-N 2 2 360.462 0.033 10 0 FCAELP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@@]4(CNC(=O)C4)C3)CC2)c1 ZINC000278908781 488904768 /nfs/dbraw/zinc/90/47/68/488904768.db2.gz QGJKVEGNKAPTRO-OAQYLSRUSA-N 2 2 370.497 0.851 10 0 FCAELP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@@]4(CNC(=O)C4)C3)CC2)c1 ZINC000278908781 488904769 /nfs/dbraw/zinc/90/47/69/488904769.db2.gz QGJKVEGNKAPTRO-OAQYLSRUSA-N 2 2 370.497 0.851 10 0 FCAELP C[C@H]1CN(c2cc[nH+]c(N3CCOCC3)n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000364003480 488911941 /nfs/dbraw/zinc/91/19/41/488911941.db2.gz VVHDUYHQFZPVPI-DLBZAZTESA-N 2 2 360.506 0.775 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(C(=O)N(C)C)CC2)C1 ZINC000016339776 487588506 /nfs/dbraw/zinc/58/85/06/487588506.db2.gz SRZVAPGFGZZGRO-QGZVFWFLSA-N 2 2 368.522 0.260 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(C(=O)N(C)C)CC2)C1 ZINC000016339776 487588516 /nfs/dbraw/zinc/58/85/16/487588516.db2.gz SRZVAPGFGZZGRO-QGZVFWFLSA-N 2 2 368.522 0.260 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](CC(N)=O)C2CCCC2)C1 ZINC000052826449 488183350 /nfs/dbraw/zinc/18/33/50/488183350.db2.gz RGBVUGIEPWQIFS-MRXNPFEDSA-N 2 2 354.495 0.189 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](CC(N)=O)C2CCCC2)C1 ZINC000052826449 488183353 /nfs/dbraw/zinc/18/33/53/488183353.db2.gz RGBVUGIEPWQIFS-MRXNPFEDSA-N 2 2 354.495 0.189 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](CC(N)=O)C2CCCC2)C1 ZINC000052826449 488183355 /nfs/dbraw/zinc/18/33/55/488183355.db2.gz RGBVUGIEPWQIFS-MRXNPFEDSA-N 2 2 354.495 0.189 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](CC(N)=O)C2CCCC2)C1 ZINC000052826449 488183358 /nfs/dbraw/zinc/18/33/58/488183358.db2.gz RGBVUGIEPWQIFS-MRXNPFEDSA-N 2 2 354.495 0.189 10 0 FCAELP Cn1cc[nH+]c1[C@@H]1CN(C(=O)NC[C@H]2CCc3[nH+]ccn3C2)CCN1C ZINC000279805839 488969485 /nfs/dbraw/zinc/96/94/85/488969485.db2.gz DYOVCIKXLOTZQP-CABCVRRESA-N 2 2 357.462 0.877 10 0 FCAELP C[NH+]1CCN(CCNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000063695924 488306805 /nfs/dbraw/zinc/30/68/05/488306805.db2.gz ZVFANIXKWDBNAE-UHFFFAOYSA-N 2 2 359.518 0.168 10 0 FCAELP CC[NH+]1CCN(CC(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000073945726 488386985 /nfs/dbraw/zinc/38/69/85/488386985.db2.gz DFRBWIAZZHDQDO-LJQANCHMSA-N 2 2 373.545 0.951 10 0 FCAELP COC[C@](C)(O)CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000074768338 488393945 /nfs/dbraw/zinc/39/39/45/488393945.db2.gz KAORKCAZZUTTIA-QGZVFWFLSA-N 2 2 356.511 0.633 10 0 FCAELP CC[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@@H+]1C[C@@H](C)O ZINC000184706153 488397403 /nfs/dbraw/zinc/39/74/03/488397403.db2.gz MLFWVXDKOQEGMY-HZPDHXFCSA-N 2 2 356.511 0.584 10 0 FCAELP CC[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@H+]1C[C@@H](C)O ZINC000184706153 488397405 /nfs/dbraw/zinc/39/74/05/488397405.db2.gz MLFWVXDKOQEGMY-HZPDHXFCSA-N 2 2 356.511 0.584 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000192657431 488423322 /nfs/dbraw/zinc/42/33/22/488423322.db2.gz IDARXDBZYDCZQD-ZIAGYGMSSA-N 2 2 368.503 0.537 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000192657450 488423413 /nfs/dbraw/zinc/42/34/13/488423413.db2.gz IDARXDBZYDCZQD-KGLIPLIRSA-N 2 2 368.503 0.537 10 0 FCAELP CCOC1CC(CNC(=O)N(C)CCC[NH+](C)C)([NH+]2CCOCC2)C1 ZINC000194992236 488435039 /nfs/dbraw/zinc/43/50/39/488435039.db2.gz VINOYHKPZQVTFK-UHFFFAOYSA-N 2 2 356.511 0.849 10 0 FCAELP CC[NH+]1CCC(CCNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000083735274 488448693 /nfs/dbraw/zinc/44/86/93/488448693.db2.gz OYBUCJAVVIPKGD-QGZVFWFLSA-N 2 2 356.511 0.443 10 0 FCAELP C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)CSCC(=O)N1[C@H](C)C[NH+](C)C[C@H]1C ZINC000245901412 488466635 /nfs/dbraw/zinc/46/66/35/488466635.db2.gz LGYXLIPADCWXFG-KLHDSHLOSA-N 2 2 370.563 0.822 10 0 FCAELP O=C1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CN1CC[NH+]1CCOCC1 ZINC000245966651 488468123 /nfs/dbraw/zinc/46/81/23/488468123.db2.gz ZCWVWOSMIRMYBP-ISARSNTHSA-N 2 2 363.502 0.857 10 0 FCAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCN(c3cnccn3)CC2)[C@@H](C)C1 ZINC000246452582 488473142 /nfs/dbraw/zinc/47/31/42/488473142.db2.gz FMLDCUHYSNSMSI-IRXDYDNUSA-N 2 2 360.506 0.787 10 0 FCAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCN(c3cnccn3)CC2)[C@@H](C)C1 ZINC000246452582 488473144 /nfs/dbraw/zinc/47/31/44/488473144.db2.gz FMLDCUHYSNSMSI-IRXDYDNUSA-N 2 2 360.506 0.787 10 0 FCAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCN(c3cnccn3)CC2)[C@@H](C)C1 ZINC000246452582 488473146 /nfs/dbraw/zinc/47/31/46/488473146.db2.gz FMLDCUHYSNSMSI-IRXDYDNUSA-N 2 2 360.506 0.787 10 0 FCAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCN(c3cnccn3)CC2)[C@@H](C)C1 ZINC000246452582 488473148 /nfs/dbraw/zinc/47/31/48/488473148.db2.gz FMLDCUHYSNSMSI-IRXDYDNUSA-N 2 2 360.506 0.787 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000246995382 488479518 /nfs/dbraw/zinc/47/95/18/488479518.db2.gz NPMGKAXELWZMTM-IAGOWNOFSA-N 2 2 354.495 0.459 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000246995382 488479519 /nfs/dbraw/zinc/47/95/19/488479519.db2.gz 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/nfs/dbraw/zinc/80/70/05/488807005.db2.gz FWBQLRAVUOTMMK-UHFFFAOYSA-N 2 2 356.426 0.665 10 0 FCAELP [NH3+]Cc1ccc(C(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)o1 ZINC000168293501 488812328 /nfs/dbraw/zinc/81/23/28/488812328.db2.gz DXFBVRVJOVCETF-HNNXBMFYSA-N 2 2 359.426 0.936 10 0 FCAELP CC(C)(CNC(=O)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1)[NH+]1CCOCC1 ZINC000171503887 488823448 /nfs/dbraw/zinc/82/34/48/488823448.db2.gz ZKXAMIMOVJWZHL-MRXNPFEDSA-N 2 2 364.494 0.217 10 0 FCAELP CC(C)(CNC(=O)C[N@H+]1CCC[C@@H](Cn2cncn2)C1)[NH+]1CCOCC1 ZINC000171503887 488823450 /nfs/dbraw/zinc/82/34/50/488823450.db2.gz ZKXAMIMOVJWZHL-MRXNPFEDSA-N 2 2 364.494 0.217 10 0 FCAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000172071714 488830051 /nfs/dbraw/zinc/83/00/51/488830051.db2.gz VBXFOBARCUMMAP-MRXNPFEDSA-N 2 2 364.494 0.195 10 0 FCAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000172071714 488830052 /nfs/dbraw/zinc/83/00/52/488830052.db2.gz VBXFOBARCUMMAP-MRXNPFEDSA-N 2 2 364.494 0.195 10 0 FCAELP C[C@@H](CNC(=O)C1CC[NH+](Cc2nccn2C)CC1)C[NH+]1CCOCC1 ZINC000172459253 488834428 /nfs/dbraw/zinc/83/44/28/488834428.db2.gz GLSQFTIBXGYLDX-INIZCTEOSA-N 2 2 363.506 0.717 10 0 FCAELP CC[C@@H](C)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000554761127 491223852 /nfs/dbraw/zinc/22/38/52/491223852.db2.gz PKENLRLJXHTUGG-HZPDHXFCSA-N 2 2 358.446 0.865 10 0 FCAELP C[C@@H](CNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1)[NH+]1CCOCC1 ZINC000173825309 488845634 /nfs/dbraw/zinc/84/56/34/488845634.db2.gz KLWWLFSXZHMIEV-KRWDZBQOSA-N 2 2 368.522 0.994 10 0 FCAELP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000174748872 488850894 /nfs/dbraw/zinc/85/08/94/488850894.db2.gz HOSICTBRWNKNRA-IAGOWNOFSA-N 3 2 355.527 0.375 10 0 FCAELP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000174748872 488850895 /nfs/dbraw/zinc/85/08/95/488850895.db2.gz HOSICTBRWNKNRA-IAGOWNOFSA-N 3 2 355.527 0.375 10 0 FCAELP 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ZINC000182053867 488863936 /nfs/dbraw/zinc/86/39/36/488863936.db2.gz NBARVXORYXBRAZ-IAGOWNOFSA-N 3 2 369.554 0.499 10 0 FCAELP COC(=O)C1CC[NH+](CCCNC(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000364693905 488987243 /nfs/dbraw/zinc/98/72/43/488987243.db2.gz IENWZZONKIZRSU-UHFFFAOYSA-N 2 2 367.490 0.633 10 0 FCAELP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329362680 488997690 /nfs/dbraw/zinc/99/76/90/488997690.db2.gz HKAWHNQSHZORSX-QGZVFWFLSA-N 2 2 366.506 0.110 10 0 FCAELP CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329362680 488997691 /nfs/dbraw/zinc/99/76/91/488997691.db2.gz HKAWHNQSHZORSX-QGZVFWFLSA-N 2 2 366.506 0.110 10 0 FCAELP COCCOC1CC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000364770929 488999944 /nfs/dbraw/zinc/99/99/44/488999944.db2.gz MWTBVICASLOIRM-SFHVURJKSA-N 2 2 371.522 0.587 10 0 FCAELP COCCOC1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000364770929 488999948 /nfs/dbraw/zinc/99/99/48/488999948.db2.gz 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ZINC000563673931 491262588 /nfs/dbraw/zinc/26/25/88/491262588.db2.gz VXBYADSRCAJJAN-JYYAWHABSA-N 2 2 359.536 0.634 10 0 FCAELP CC(C)(C(N)=O)[NH+]1CCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000416158407 489572686 /nfs/dbraw/zinc/57/26/86/489572686.db2.gz FVBDMWLDCAPWHZ-UHFFFAOYSA-N 2 2 358.486 0.843 10 0 FCAELP CC(C)(C(N)=O)[NH+]1CCN(C(=O)CC[N@H+]2CCc3ccccc3C2)CC1 ZINC000416158407 489572689 /nfs/dbraw/zinc/57/26/89/489572689.db2.gz FVBDMWLDCAPWHZ-UHFFFAOYSA-N 2 2 358.486 0.843 10 0 FCAELP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)c[nH+]2)C[C@@H](C)O1 ZINC000372356682 489575036 /nfs/dbraw/zinc/57/50/36/489575036.db2.gz MJFQHTLIQSFOAJ-NUJGCVRESA-N 2 2 373.501 0.701 10 0 FCAELP C[C@@H]1CN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)[C@@H](C)C[N@@H+]1CCO ZINC000416300632 489580573 /nfs/dbraw/zinc/58/05/73/489580573.db2.gz UGOPQNVQHYGRSW-AOIWGVFYSA-N 2 2 361.486 0.801 10 0 FCAELP C[C@@H]1CN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)[C@@H](C)C[N@H+]1CCO ZINC000416300632 489580574 /nfs/dbraw/zinc/58/05/74/489580574.db2.gz UGOPQNVQHYGRSW-AOIWGVFYSA-N 2 2 361.486 0.801 10 0 FCAELP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[C@@H](C)C[NH+]1CCO ZINC000416300632 489580576 /nfs/dbraw/zinc/58/05/76/489580576.db2.gz UGOPQNVQHYGRSW-AOIWGVFYSA-N 2 2 361.486 0.801 10 0 FCAELP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@@H](C)C[NH+]1CCO ZINC000416300632 489580577 /nfs/dbraw/zinc/58/05/77/489580577.db2.gz UGOPQNVQHYGRSW-AOIWGVFYSA-N 2 2 361.486 0.801 10 0 FCAELP C[C@@H](C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1)[NH+]1CCN(C)CC1 ZINC000427142974 489596447 /nfs/dbraw/zinc/59/64/47/489596447.db2.gz LFDKKQTUUDTWOW-ROUUACIJSA-N 2 2 352.523 0.726 10 0 FCAELP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000417631358 489660389 /nfs/dbraw/zinc/66/03/89/489660389.db2.gz SBZHNEXCQQUEEH-HUUCEWRRSA-N 2 2 353.511 0.746 10 0 FCAELP CC(C)C[C@@H](C[NH3+])NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000417698084 489661788 /nfs/dbraw/zinc/66/17/88/489661788.db2.gz DGCLFBAKZVKSMX-INIZCTEOSA-N 2 2 353.511 0.603 10 0 FCAELP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCc1cn(C)c[nH+]1 ZINC000458397473 489680931 /nfs/dbraw/zinc/68/09/31/489680931.db2.gz MTNOGIKDDRBYCY-MRXNPFEDSA-N 2 2 371.489 0.868 10 0 FCAELP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000489511153 489714966 /nfs/dbraw/zinc/71/49/66/489714966.db2.gz URBWCSZEUHXTKP-KRWDZBQOSA-N 2 2 371.441 0.831 10 0 FCAELP CC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000418866114 489764669 /nfs/dbraw/zinc/76/46/69/489764669.db2.gz MOVTWTANGHJJHG-HIFRSBDPSA-N 2 2 372.391 0.773 10 0 FCAELP CC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000418866845 489766192 /nfs/dbraw/zinc/76/61/92/489766192.db2.gz NGXSPZUIBUSMPV-JSGCOSHPSA-N 2 2 358.364 0.430 10 0 FCAELP CC[N@H+]1CC[C@H](NC(=O)C(=O)NCC[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000418866845 489766195 /nfs/dbraw/zinc/76/61/95/489766195.db2.gz NGXSPZUIBUSMPV-JSGCOSHPSA-N 2 2 358.364 0.430 10 0 FCAELP COc1cccc([C@H]2[C@@H](NC(=O)C(=O)N3CC[NH2+]CC3)CC[N@@H+]2C2CC2)c1 ZINC000418879645 489771850 /nfs/dbraw/zinc/77/18/50/489771850.db2.gz NLVLFJCBUIYNBM-ROUUACIJSA-N 2 2 372.469 0.521 10 0 FCAELP COc1cccc([C@H]2[C@@H](NC(=O)C(=O)N3CC[NH2+]CC3)CC[N@H+]2C2CC2)c1 ZINC000418879645 489771853 /nfs/dbraw/zinc/77/18/53/489771853.db2.gz NLVLFJCBUIYNBM-ROUUACIJSA-N 2 2 372.469 0.521 10 0 FCAELP C[C@H]1C[N@H+](CCn2nc3ccccn3c2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490648423 489778119 /nfs/dbraw/zinc/77/81/19/489778119.db2.gz LKNCWOHPSLKSTC-DLBZAZTESA-N 2 2 358.490 0.454 10 0 FCAELP C[C@H]1C[N@@H+](CCn2nc3ccccn3c2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490648423 489778122 /nfs/dbraw/zinc/77/81/22/489778122.db2.gz LKNCWOHPSLKSTC-DLBZAZTESA-N 2 2 358.490 0.454 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000418899186 489781012 /nfs/dbraw/zinc/78/10/12/489781012.db2.gz BPRZMDKVQHSPOP-HUUCEWRRSA-N 2 2 352.385 0.258 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000418899186 489781016 /nfs/dbraw/zinc/78/10/16/489781016.db2.gz BPRZMDKVQHSPOP-HUUCEWRRSA-N 2 2 352.385 0.258 10 0 FCAELP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418900107 489781969 /nfs/dbraw/zinc/78/19/69/489781969.db2.gz CPVSGHJQRAEBNM-UVBJJODRSA-N 2 2 366.412 0.647 10 0 FCAELP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418900107 489781973 /nfs/dbraw/zinc/78/19/73/489781973.db2.gz CPVSGHJQRAEBNM-UVBJJODRSA-N 2 2 366.412 0.647 10 0 FCAELP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418904709 489783947 /nfs/dbraw/zinc/78/39/47/489783947.db2.gz JGDUMVHQTKTPAQ-ZIAGYGMSSA-N 2 2 356.829 0.806 10 0 FCAELP CC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418904709 489783951 /nfs/dbraw/zinc/78/39/51/489783951.db2.gz JGDUMVHQTKTPAQ-ZIAGYGMSSA-N 2 2 356.829 0.806 10 0 FCAELP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418905281 489784044 /nfs/dbraw/zinc/78/40/44/489784044.db2.gz JWYCOYGYBJVDQC-PMPSAXMXSA-N 2 2 368.428 0.926 10 0 FCAELP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418905281 489784048 /nfs/dbraw/zinc/78/40/48/489784048.db2.gz JWYCOYGYBJVDQC-PMPSAXMXSA-N 2 2 368.428 0.926 10 0 FCAELP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418905213 489784402 /nfs/dbraw/zinc/78/44/02/489784402.db2.gz JRTYZQAFOKZMSH-RLCCDNCMSA-N 2 2 368.428 0.940 10 0 FCAELP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418905213 489784406 /nfs/dbraw/zinc/78/44/06/489784406.db2.gz JRTYZQAFOKZMSH-RLCCDNCMSA-N 2 2 368.428 0.940 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418907822 489785667 /nfs/dbraw/zinc/78/56/67/489785667.db2.gz MIMUSRAJLGCBFL-GJZGRUSLSA-N 2 2 366.412 0.824 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418907822 489785671 /nfs/dbraw/zinc/78/56/71/489785671.db2.gz MIMUSRAJLGCBFL-GJZGRUSLSA-N 2 2 366.412 0.824 10 0 FCAELP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000419034418 489827439 /nfs/dbraw/zinc/82/74/39/489827439.db2.gz ZNBHFRFYRFUUGJ-SWLSCSKDSA-N 2 2 359.405 0.742 10 0 FCAELP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000419123290 489866896 /nfs/dbraw/zinc/86/68/96/489866896.db2.gz YEVQAHBABXAQLA-TZMCWYRMSA-N 2 2 359.430 0.222 10 0 FCAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419124566 489868063 /nfs/dbraw/zinc/86/80/63/489868063.db2.gz XTAIGPSESMGWCM-BETUJISGSA-N 2 2 361.833 0.957 10 0 FCAELP CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)CNC(=O)C[NH3+] ZINC000571093229 491285641 /nfs/dbraw/zinc/28/56/41/491285641.db2.gz IVMKZBDQBYCQNR-RHSMWYFYSA-N 2 2 361.490 0.524 10 0 FCAELP CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CNC(=O)C[NH3+] ZINC000571093229 491285644 /nfs/dbraw/zinc/28/56/44/491285644.db2.gz IVMKZBDQBYCQNR-RHSMWYFYSA-N 2 2 361.490 0.524 10 0 FCAELP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)CNC(=O)C[NH3+] ZINC000571093230 491285652 /nfs/dbraw/zinc/28/56/52/491285652.db2.gz IVMKZBDQBYCQNR-WMLDXEAASA-N 2 2 361.490 0.524 10 0 FCAELP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CNC(=O)C[NH3+] ZINC000571093230 491285655 /nfs/dbraw/zinc/28/56/55/491285655.db2.gz IVMKZBDQBYCQNR-WMLDXEAASA-N 2 2 361.490 0.524 10 0 FCAELP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000420097072 489911304 /nfs/dbraw/zinc/91/13/04/489911304.db2.gz HNDQRHWFOMCZFP-WBVHZDCISA-N 2 2 374.485 0.454 10 0 FCAELP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C[C@H]3C)CC2)c1 ZINC000420100825 489912361 /nfs/dbraw/zinc/91/23/61/489912361.db2.gz LFOIHKWHUIKQPW-AEFFLSMTSA-N 2 2 358.486 0.753 10 0 FCAELP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000420123344 489919897 /nfs/dbraw/zinc/91/98/97/489919897.db2.gz NJBLPJLXURBFFZ-HZPDHXFCSA-N 2 2 354.495 0.333 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(OCCC(=O)NC)CC2)CC1 ZINC000494932193 489920422 /nfs/dbraw/zinc/92/04/22/489920422.db2.gz QAUDHXALPMVWLZ-OAHLLOKOSA-N 2 2 354.495 0.156 10 0 FCAELP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000420128832 489922527 /nfs/dbraw/zinc/92/25/27/489922527.db2.gz WKAPPUGBEOBPCL-RDJZCZTQSA-N 2 2 374.485 0.454 10 0 FCAELP [NH3+]CC(F)(F)CNC(=O)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000420150989 489932502 /nfs/dbraw/zinc/93/25/02/489932502.db2.gz MDMOWYVMMRZUPX-GFCCVEGCSA-N 2 2 369.416 0.636 10 0 FCAELP O=C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000420355235 489967252 /nfs/dbraw/zinc/96/72/52/489967252.db2.gz CEEBCTRJOZVVSH-LJQANCHMSA-N 2 2 360.458 0.640 10 0 FCAELP O=C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000420355235 489967254 /nfs/dbraw/zinc/96/72/54/489967254.db2.gz CEEBCTRJOZVVSH-LJQANCHMSA-N 2 2 360.458 0.640 10 0 FCAELP O=C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000420355230 489967362 /nfs/dbraw/zinc/96/73/62/489967362.db2.gz CEEBCTRJOZVVSH-IBGZPJMESA-N 2 2 360.458 0.640 10 0 FCAELP O=C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000420355230 489967364 /nfs/dbraw/zinc/96/73/64/489967364.db2.gz CEEBCTRJOZVVSH-IBGZPJMESA-N 2 2 360.458 0.640 10 0 FCAELP CCC[NH+]1CCC(CNC(=O)C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000477748428 489989267 /nfs/dbraw/zinc/98/92/67/489989267.db2.gz PZIIJCGYAUFBRN-OAHLLOKOSA-N 2 2 354.495 0.062 10 0 FCAELP CCC[NH+]1CCC(CNC(=O)C(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000477748428 489989270 /nfs/dbraw/zinc/98/92/70/489989270.db2.gz PZIIJCGYAUFBRN-OAHLLOKOSA-N 2 2 354.495 0.062 10 0 FCAELP C[NH+]1CCN(c2cc(CNC(=O)N[C@H]3CCc4[nH+]c[nH]c4C3)ccn2)CC1 ZINC000378024976 489997636 /nfs/dbraw/zinc/99/76/36/489997636.db2.gz OZXCDAPDRNROJK-HNNXBMFYSA-N 2 2 369.473 0.913 10 0 FCAELP CC(C)(CNC(=O)C(=O)NCc1ccc2c[nH+]cn2c1)[NH+]1CCOCC1 ZINC000420829075 490025062 /nfs/dbraw/zinc/02/50/62/490025062.db2.gz XZDNEYYIZHRGNU-UHFFFAOYSA-N 2 2 359.430 0.178 10 0 FCAELP O=C1C[C@H]([NH2+]Cc2ccc(-c3cc[nH]n3)o2)CN1CC[NH+]1CCOCC1 ZINC000378220713 490030782 /nfs/dbraw/zinc/03/07/82/490030782.db2.gz FGUBIXCWPGOFRZ-AWEZNQCLSA-N 2 2 359.430 0.692 10 0 FCAELP CS(=O)(=O)N[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420918008 490031754 /nfs/dbraw/zinc/03/17/54/490031754.db2.gz UWIFSANAXUTAQJ-KRWDZBQOSA-N 2 2 353.488 0.642 10 0 FCAELP CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420918008 490031756 /nfs/dbraw/zinc/03/17/56/490031756.db2.gz UWIFSANAXUTAQJ-KRWDZBQOSA-N 2 2 353.488 0.642 10 0 FCAELP CC(C)[C@@H](CNC(=O)C(=O)NCCc1cn(C)c[nH+]1)[NH+]1CCC(C)CC1 ZINC000421531435 490086905 /nfs/dbraw/zinc/08/69/05/490086905.db2.gz XSJHBRNVIKGQIG-QGZVFWFLSA-N 2 2 363.506 0.952 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000519821014 490091000 /nfs/dbraw/zinc/09/10/00/490091000.db2.gz AQBULYISYMZLJR-UHFFFAOYSA-N 2 2 371.485 0.641 10 0 FCAELP C[NH+](C)CCN1C(=O)C[C@@H]([NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)C1=O ZINC000545225796 490100784 /nfs/dbraw/zinc/10/07/84/490100784.db2.gz MVBYKNIOKSSEOM-IUODEOHRSA-N 2 2 365.396 0.701 10 0 FCAELP CC(C)(CNC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1)[NH+]1CCOCC1 ZINC000532747886 490106292 /nfs/dbraw/zinc/10/62/92/490106292.db2.gz CHXVECXXIRZDFM-IAGOWNOFSA-N 2 2 353.507 0.962 10 0 FCAELP CC(C)(CNC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1)[NH+]1CCOCC1 ZINC000532747886 490106296 /nfs/dbraw/zinc/10/62/96/490106296.db2.gz CHXVECXXIRZDFM-IAGOWNOFSA-N 2 2 353.507 0.962 10 0 FCAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000389906235 490135317 /nfs/dbraw/zinc/13/53/17/490135317.db2.gz HCYUDVHIRJREAF-BMFZPTHFSA-N 2 2 353.488 0.385 10 0 FCAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000389906235 490135322 /nfs/dbraw/zinc/13/53/22/490135322.db2.gz HCYUDVHIRJREAF-BMFZPTHFSA-N 2 2 353.488 0.385 10 0 FCAELP O[C@H](C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)CN1CCOCC1 ZINC000390850273 490140613 /nfs/dbraw/zinc/14/06/13/490140613.db2.gz JAVPWQVUKAIBCX-UXHICEINSA-N 2 2 363.502 0.560 10 0 FCAELP O[C@H](C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)CN1CCOCC1 ZINC000390850273 490140619 /nfs/dbraw/zinc/14/06/19/490140619.db2.gz JAVPWQVUKAIBCX-UXHICEINSA-N 2 2 363.502 0.560 10 0 FCAELP O[C@H](CNC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C[NH+]1CCOCC1 ZINC000390850273 490140624 /nfs/dbraw/zinc/14/06/24/490140624.db2.gz JAVPWQVUKAIBCX-UXHICEINSA-N 2 2 363.502 0.560 10 0 FCAELP O[C@H](CNC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C[NH+]1CCOCC1 ZINC000390850273 490140633 /nfs/dbraw/zinc/14/06/33/490140633.db2.gz JAVPWQVUKAIBCX-UXHICEINSA-N 2 2 363.502 0.560 10 0 FCAELP Cc1ccc([C@@H](CNC(=O)C(=O)NCCc2cn(C)c[nH+]2)[NH+](C)C)cc1 ZINC000422115985 490166478 /nfs/dbraw/zinc/16/64/78/490166478.db2.gz MSPLYCXIBWITIS-QGZVFWFLSA-N 2 2 357.458 0.806 10 0 FCAELP C[C@@H]1CN(C(=O)C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)C[C@H](C)O1 ZINC000533071386 490167587 /nfs/dbraw/zinc/16/75/87/490167587.db2.gz ADKABRAXLJUOPS-GASCZTMLSA-N 2 2 362.478 0.300 10 0 FCAELP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000556227308 491304352 /nfs/dbraw/zinc/30/43/52/491304352.db2.gz JAVQKGPNNHMYRL-GOSISDBHSA-N 2 2 369.469 0.958 10 0 FCAELP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000556227308 491304354 /nfs/dbraw/zinc/30/43/54/491304354.db2.gz JAVQKGPNNHMYRL-GOSISDBHSA-N 2 2 369.469 0.958 10 0 FCAELP C[C@H](CC[NH+](C)C)NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000497688327 490194487 /nfs/dbraw/zinc/19/44/87/490194487.db2.gz NPGGTGFKFNHPCZ-OAHLLOKOSA-N 2 2 353.511 0.570 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCN3CCOC[C@H]3C2)CC1 ZINC000520892344 490203074 /nfs/dbraw/zinc/20/30/74/490203074.db2.gz ALLIVNSPHQPJPV-UYAOXDASSA-N 2 2 372.513 0.908 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCN3CCOC[C@H]3C2)CC1 ZINC000520892344 490203079 /nfs/dbraw/zinc/20/30/79/490203079.db2.gz ALLIVNSPHQPJPV-UYAOXDASSA-N 2 2 372.513 0.908 10 0 FCAELP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000422256506 490209226 /nfs/dbraw/zinc/20/92/26/490209226.db2.gz GBNSCKLMWYVHSU-GASCZTMLSA-N 2 2 363.506 0.952 10 0 FCAELP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000422256506 490209232 /nfs/dbraw/zinc/20/92/32/490209232.db2.gz GBNSCKLMWYVHSU-GASCZTMLSA-N 2 2 363.506 0.952 10 0 FCAELP CC1(C)C[NH+](CC(=O)N2CCCN(C(=O)C[NH+]3CC(C)(C)C3)CC2)C1 ZINC000521065090 490219969 /nfs/dbraw/zinc/21/99/69/490219969.db2.gz JWBBOWCHAZXPCA-UHFFFAOYSA-N 2 2 350.507 0.731 10 0 FCAELP CSCCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000521575716 490277352 /nfs/dbraw/zinc/27/73/52/490277352.db2.gz YPXNOJDRRZCKQN-UHFFFAOYSA-N 2 2 356.536 0.436 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000533849450 490291747 /nfs/dbraw/zinc/29/17/47/490291747.db2.gz PCMKEJPBBGVAFW-GOSISDBHSA-N 2 2 373.501 0.979 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000533849450 490291753 /nfs/dbraw/zinc/29/17/53/490291753.db2.gz PCMKEJPBBGVAFW-GOSISDBHSA-N 2 2 373.501 0.979 10 0 FCAELP CC(C)C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)C(=O)NCC[NH+](C)C ZINC000534050914 490313604 /nfs/dbraw/zinc/31/36/04/490313604.db2.gz UPKQPKBGOUPLET-HNNXBMFYSA-N 2 2 373.461 0.485 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)N2CC[C@@H](C[NH+](C)C)C2)C1=O ZINC000547866985 490369153 /nfs/dbraw/zinc/36/91/53/490369153.db2.gz DIDRXVUYHQVMPC-LSDHHAIUSA-N 2 2 362.478 0.504 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N2CC[C@H](C[NH+](C)C)C2)C1=O ZINC000547866982 490369714 /nfs/dbraw/zinc/36/97/14/490369714.db2.gz DIDRXVUYHQVMPC-CABCVRRESA-N 2 2 362.478 0.504 10 0 FCAELP CC(C)(C)OC(=O)[C@@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000468281302 490381130 /nfs/dbraw/zinc/38/11/30/490381130.db2.gz MZWATYCFZRSZOZ-OAHLLOKOSA-N 2 2 369.506 0.877 10 0 FCAELP CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000468281302 490381138 /nfs/dbraw/zinc/38/11/38/490381138.db2.gz MZWATYCFZRSZOZ-OAHLLOKOSA-N 2 2 369.506 0.877 10 0 FCAELP C[NH+]1CCN(S(=O)(=O)N2CC[NH+]([C@@H]3C[C@@H]3c3ccccc3)CC2)CC1 ZINC000411165121 490398358 /nfs/dbraw/zinc/39/83/58/490398358.db2.gz OJOZYFIZLPRUIT-QZTJIDSGSA-N 2 2 364.515 0.652 10 0 FCAELP CCOC1CC(CNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)([NH+]2CCOCC2)C1 ZINC000571745902 491326482 /nfs/dbraw/zinc/32/64/82/491326482.db2.gz URFDXGWEQVKEOS-GIOYIUAESA-N 2 2 366.506 0.792 10 0 FCAELP COC1CCN(C2(C[NH2+]C[C@H](O)CN3CC[NH+](C)CC3)CCCC2)CC1 ZINC000564855252 491331428 /nfs/dbraw/zinc/33/14/28/491331428.db2.gz DNESRUITQCFSMV-SFHVURJKSA-N 2 2 368.566 0.608 10 0 FCAELP COC1CC[NH+](C2(CNC[C@H](O)C[NH+]3CCN(C)CC3)CCCC2)CC1 ZINC000564855252 491331430 /nfs/dbraw/zinc/33/14/30/491331430.db2.gz DNESRUITQCFSMV-SFHVURJKSA-N 2 2 368.566 0.608 10 0 FCAELP CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422939554 490503145 /nfs/dbraw/zinc/50/31/45/490503145.db2.gz MBWGRDKXVSMOKZ-IAGOWNOFSA-N 2 2 353.488 0.794 10 0 FCAELP O=C(NCCNc1cc[nH+]cc1)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000536018732 490547400 /nfs/dbraw/zinc/54/74/00/490547400.db2.gz PMVJREQJPAHTGV-UHFFFAOYSA-N 2 2 374.489 0.159 10 0 FCAELP C[NH+]1CCC([NH2+]C[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)CC1 ZINC000549517505 490586275 /nfs/dbraw/zinc/58/62/75/490586275.db2.gz MSRTYYMNOMHYDW-INIZCTEOSA-N 3 2 374.533 0.517 10 0 FCAELP C[NH+]1CCN(c2cccc(C(=O)N3CCC[C@H]3C[NH+]3CCOCC3)n2)CC1 ZINC000536600514 490596681 /nfs/dbraw/zinc/59/66/81/490596681.db2.gz BERIPOQNAPRPND-KRWDZBQOSA-N 2 2 373.501 0.770 10 0 FCAELP Cc1[nH+]ccn1CCCNC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000511881986 490633897 /nfs/dbraw/zinc/63/38/97/490633897.db2.gz LVXWSKHIBBVYEC-HNNXBMFYSA-N 2 2 373.461 0.806 10 0 FCAELP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H]2CCC[C@@H]21 ZINC000556886881 491342526 /nfs/dbraw/zinc/34/25/26/491342526.db2.gz PRWDRKQSZGPECB-OWSLCNJRSA-N 3 2 350.507 0.382 10 0 FCAELP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H]2CCC[C@@H]21 ZINC000556886881 491342529 /nfs/dbraw/zinc/34/25/29/491342529.db2.gz PRWDRKQSZGPECB-OWSLCNJRSA-N 3 2 350.507 0.382 10 0 FCAELP C[C@H](OCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1nccn1C ZINC000512218428 490665311 /nfs/dbraw/zinc/66/53/11/490665311.db2.gz MGKHGHVBRHEQAB-HNNXBMFYSA-N 2 2 351.495 0.982 10 0 FCAELP C[C@H](OCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1nccn1C ZINC000512218428 490665314 /nfs/dbraw/zinc/66/53/14/490665314.db2.gz MGKHGHVBRHEQAB-HNNXBMFYSA-N 2 2 351.495 0.982 10 0 FCAELP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NCCC[NH+]1CCOCC1 ZINC000512581298 490688708 /nfs/dbraw/zinc/68/87/08/490688708.db2.gz GAMHXVFCURZNFK-UHFFFAOYSA-N 2 2 360.502 0.643 10 0 FCAELP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000572144773 491351975 /nfs/dbraw/zinc/35/19/75/491351975.db2.gz DHLLYMJVHBXEIQ-KRWDZBQOSA-N 2 2 368.522 0.548 10 0 FCAELP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000572144773 491351978 /nfs/dbraw/zinc/35/19/78/491351978.db2.gz DHLLYMJVHBXEIQ-KRWDZBQOSA-N 2 2 368.522 0.548 10 0 FCAELP CCn1nncc1CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000528067346 490775973 /nfs/dbraw/zinc/77/59/73/490775973.db2.gz ZBIRAFMTEGRZBN-XYPWUTKMSA-N 2 2 361.494 0.750 10 0 FCAELP CCn1nncc1CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000528067346 490775975 /nfs/dbraw/zinc/77/59/75/490775975.db2.gz ZBIRAFMTEGRZBN-XYPWUTKMSA-N 2 2 361.494 0.750 10 0 FCAELP CC1([NH+]2CCOCC2)CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000528729352 490823946 /nfs/dbraw/zinc/82/39/46/490823946.db2.gz RQYGMTONDKMEDL-INIZCTEOSA-N 2 2 359.536 0.845 10 0 FCAELP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529300205 490848303 /nfs/dbraw/zinc/84/83/03/490848303.db2.gz ACSNHXXZPPHAJG-DOTOQJQBSA-N 2 2 354.495 0.507 10 0 FCAELP C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529300205 490848306 /nfs/dbraw/zinc/84/83/06/490848306.db2.gz ACSNHXXZPPHAJG-DOTOQJQBSA-N 2 2 354.495 0.507 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)N[C@H]2CC[NH2+]C23CCC3)C1=O ZINC000529320446 490851416 /nfs/dbraw/zinc/85/14/16/490851416.db2.gz DWQMYLHJARWHKT-KGLIPLIRSA-N 2 2 360.462 0.495 10 0 FCAELP O=C(NCCC[NH+]1CCC(O)CC1)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000516518033 490866617 /nfs/dbraw/zinc/86/66/17/490866617.db2.gz CRQOOWUYQSTWII-UHFFFAOYSA-N 2 2 362.474 0.490 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+][C@H](Cc2ccccc2)C(N)=O)C1=O ZINC000541799732 490872281 /nfs/dbraw/zinc/87/22/81/490872281.db2.gz LVQZLCVHQPISGJ-JKSUJKDBSA-N 2 2 355.442 0.597 10 0 FCAELP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)CC1 ZINC000516862324 490881365 /nfs/dbraw/zinc/88/13/65/490881365.db2.gz VWAZTPZYLCULQL-ZDUSSCGKSA-N 2 2 372.395 0.446 10 0 FCAELP Cc1ccc2nc(C[NH+]3CCN(C(=O)N4CC[NH2+]CC4)CC3)cc(=O)n2c1 ZINC000530227899 490894144 /nfs/dbraw/zinc/89/41/44/490894144.db2.gz INDCGAAMBFLKKQ-UHFFFAOYSA-N 2 2 370.457 0.146 10 0 FCAELP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2cn(-c3ccccc3)nn2)CC1 ZINC000517254653 490901616 /nfs/dbraw/zinc/90/16/16/490901616.db2.gz RUXGRCSIACRQRI-UHFFFAOYSA-N 2 2 357.458 0.926 10 0 FCAELP C[C@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ncnn1C ZINC000530439268 490906103 /nfs/dbraw/zinc/90/61/03/490906103.db2.gz FUOOTYITRFJCKM-LSVZVQIISA-N 2 2 361.494 0.829 10 0 FCAELP C[C@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1ncnn1C ZINC000530439268 490906105 /nfs/dbraw/zinc/90/61/05/490906105.db2.gz FUOOTYITRFJCKM-LSVZVQIISA-N 2 2 361.494 0.829 10 0 FCAELP CS(=O)(=O)[C@H]1CCCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000518068175 490929867 /nfs/dbraw/zinc/92/98/67/490929867.db2.gz PEULRGSLDGLTLG-INIZCTEOSA-N 2 2 357.520 0.629 10 0 FCAELP CS(=O)(=O)[C@H]1CCCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000518068175 490929869 /nfs/dbraw/zinc/92/98/69/490929869.db2.gz PEULRGSLDGLTLG-INIZCTEOSA-N 2 2 357.520 0.629 10 0 FCAELP Cn1cc[nH+]c1CN1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000530894983 490930731 /nfs/dbraw/zinc/93/07/31/490930731.db2.gz JIRJAKIUMJRQLL-QGZVFWFLSA-N 2 2 366.535 0.685 10 0 FCAELP COCCNC(=O)CN1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000543396466 490931817 /nfs/dbraw/zinc/93/18/17/490931817.db2.gz GSZIWTVDYRZXTR-UHFFFAOYSA-N 2 2 363.487 0.814 10 0 FCAELP [NH3+]CCC1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000518202435 490933308 /nfs/dbraw/zinc/93/33/08/490933308.db2.gz GWLAEZUZZRNJPC-QGZVFWFLSA-N 2 2 366.506 0.287 10 0 FCAELP C[C@@H](NC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)C1=CC[N@H+](C)CC1 ZINC000543967269 490953249 /nfs/dbraw/zinc/95/32/49/490953249.db2.gz OTLFQCCNBOAKLB-ZBFHGGJFSA-N 2 2 374.489 0.861 10 0 FCAELP C[C@@H](NC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)C1=CC[N@@H+](C)CC1 ZINC000543967269 490953251 /nfs/dbraw/zinc/95/32/51/490953251.db2.gz OTLFQCCNBOAKLB-ZBFHGGJFSA-N 2 2 374.489 0.861 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1=O ZINC000544029177 490955743 /nfs/dbraw/zinc/95/57/43/490955743.db2.gz SLBBPKMNHHQSDG-HNNXBMFYSA-N 2 2 370.457 0.803 10 0 FCAELP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000519572609 490977252 /nfs/dbraw/zinc/97/72/52/490977252.db2.gz QXKXHHUZAGIMSH-GJZGRUSLSA-N 2 2 364.494 0.939 10 0 FCAELP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000519572609 490977254 /nfs/dbraw/zinc/97/72/54/490977254.db2.gz QXKXHHUZAGIMSH-GJZGRUSLSA-N 2 2 364.494 0.939 10 0 FCAELP CC[NH+](CC)CCOCCNC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000544804063 490981805 /nfs/dbraw/zinc/98/18/05/490981805.db2.gz IFXPAKIIQYJQFX-UHFFFAOYSA-N 2 2 364.494 0.975 10 0 FCAELP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)C1 ZINC000565430003 491376008 /nfs/dbraw/zinc/37/60/08/491376008.db2.gz BSJOSTLQLWZOFU-CQSZACIVSA-N 2 2 359.474 0.741 10 0 FCAELP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)C1 ZINC000565430003 491376009 /nfs/dbraw/zinc/37/60/09/491376009.db2.gz BSJOSTLQLWZOFU-CQSZACIVSA-N 2 2 359.474 0.741 10 0 FCAELP O=C(NCc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000572547228 491377755 /nfs/dbraw/zinc/37/77/55/491377755.db2.gz CLTYPQFNOLNYDS-RYUDHWBXSA-N 2 2 373.379 0.805 10 0 FCAELP O=C(NCc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000572547228 491377759 /nfs/dbraw/zinc/37/77/59/491377759.db2.gz CLTYPQFNOLNYDS-RYUDHWBXSA-N 2 2 373.379 0.805 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000557566530 491383815 /nfs/dbraw/zinc/38/38/15/491383815.db2.gz SJCHBYRILYOGSD-OAHLLOKOSA-N 2 2 359.474 0.638 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000557566530 491383817 /nfs/dbraw/zinc/38/38/17/491383817.db2.gz SJCHBYRILYOGSD-OAHLLOKOSA-N 2 2 359.474 0.638 10 0 FCAELP O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000565592535 491387534 /nfs/dbraw/zinc/38/75/34/491387534.db2.gz IFAWYZGRRMPSMV-RYQLBKOJSA-N 2 2 365.499 0.806 10 0 FCAELP O=C(NCc1[nH+]ccn1CC(F)(F)F)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000557623238 491387822 /nfs/dbraw/zinc/38/78/22/491387822.db2.gz YXPRJGGPDNTJPS-LBPRGKRZSA-N 2 2 373.379 0.758 10 0 FCAELP CC[NH+]1CCC(CCNC(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000558115364 491415162 /nfs/dbraw/zinc/41/51/62/491415162.db2.gz UJAIGBAWAJSDDH-INIZCTEOSA-N 2 2 361.490 0.974 10 0 FCAELP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000566193489 491424611 /nfs/dbraw/zinc/42/46/11/491424611.db2.gz HWKGLTQWHRYKKL-INMHGKMJSA-N 2 2 362.478 0.576 10 0 FCAELP C[C@H]([C@H](C)NC(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000573491519 491436601 /nfs/dbraw/zinc/43/66/01/491436601.db2.gz YXUYZRXIDLZDCE-DAYGRLMNSA-N 2 2 374.485 0.297 10 0 FCAELP C[C@H](NC(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000573491521 491436987 /nfs/dbraw/zinc/43/69/87/491436987.db2.gz YXUYZRXIDLZDCE-MPGHIAIKSA-N 2 2 374.485 0.297 10 0 FCAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H]3CCC(=O)N(C)C3)CC2)CC1 ZINC000573831268 491457711 /nfs/dbraw/zinc/45/77/11/491457711.db2.gz ZLTAGZPRAYGVLO-INIZCTEOSA-N 2 2 365.522 0.809 10 0 FCAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H]3CCC(=O)N(C)C3)CC2)CC1 ZINC000573831268 491457712 /nfs/dbraw/zinc/45/77/12/491457712.db2.gz ZLTAGZPRAYGVLO-INIZCTEOSA-N 2 2 365.522 0.809 10 0 FCAELP C[C@H]1C[C@H](N(C)C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000559383898 491469156 /nfs/dbraw/zinc/46/91/56/491469156.db2.gz SPLMPBIJXJXHFK-LSDHHAIUSA-N 2 2 354.495 0.155 10 0 FCAELP C[C@H]1C[C@H](N(C)C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@H+]1C ZINC000559383898 491469157 /nfs/dbraw/zinc/46/91/57/491469157.db2.gz SPLMPBIJXJXHFK-LSDHHAIUSA-N 2 2 354.495 0.155 10 0 FCAELP O=C(N[C@H](CO)C[NH+]1CCOCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000574102497 491474651 /nfs/dbraw/zinc/47/46/51/491474651.db2.gz FJEKUFWCZMQZEY-IBGZPJMESA-N 2 2 361.486 0.708 10 0 FCAELP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000566964680 491477740 /nfs/dbraw/zinc/47/77/40/491477740.db2.gz LBPMVYKYXJLSRF-UHFFFAOYSA-N 2 2 351.451 0.200 10 0 FCAELP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000566964680 491477741 /nfs/dbraw/zinc/47/77/41/491477741.db2.gz LBPMVYKYXJLSRF-UHFFFAOYSA-N 2 2 351.451 0.200 10 0 FCAELP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000566964680 491477744 /nfs/dbraw/zinc/47/77/44/491477744.db2.gz LBPMVYKYXJLSRF-UHFFFAOYSA-N 2 2 351.451 0.200 10 0 FCAELP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000566964680 491477745 /nfs/dbraw/zinc/47/77/45/491477745.db2.gz LBPMVYKYXJLSRF-UHFFFAOYSA-N 2 2 351.451 0.200 10 0 FCAELP O=C(CN1CC[NH2+]C[C@H]1C(F)F)N1CC[NH+](Cc2cccs2)CC1 ZINC000574210260 491481474 /nfs/dbraw/zinc/48/14/74/491481474.db2.gz QQWXEYFHOWEFDU-AWEZNQCLSA-N 2 2 358.458 0.931 10 0 FCAELP CC[C@@H](COC)NC(=O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000559627201 491487917 /nfs/dbraw/zinc/48/79/17/491487917.db2.gz WPHZNQJHNOJHDF-INIZCTEOSA-N 2 2 368.522 0.594 10 0 FCAELP COCC[NH+](CCOC)C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000574352650 491491148 /nfs/dbraw/zinc/49/11/48/491491148.db2.gz CBMYOIGHKCBEMM-UHFFFAOYSA-N 2 2 352.479 0.939 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000559769561 491498313 /nfs/dbraw/zinc/49/83/13/491498313.db2.gz PMBDHPPIQQZONI-UHFFFAOYSA-N 2 2 356.430 0.824 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000574748792 491517579 /nfs/dbraw/zinc/51/75/79/491517579.db2.gz BDVWZICWGBAVBY-LJQANCHMSA-N 2 2 357.458 0.251 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1=O ZINC000560089650 491519397 /nfs/dbraw/zinc/51/93/97/491519397.db2.gz RRAQMOBMRKOQOH-OAHLLOKOSA-N 2 2 352.398 0.989 10 0 FCAELP O=C(C[NH+]1CCC2(CC[NH2+]2)CC1)N1CCN(C(=O)c2cccs2)CC1 ZINC000567635582 491520076 /nfs/dbraw/zinc/52/00/76/491520076.db2.gz XMDGSMQAPCLSJF-UHFFFAOYSA-N 2 2 362.499 0.860 10 0 FCAELP CN(CC1C[NH+](C)C1)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000660386437 493348412 /nfs/dbraw/zinc/34/84/12/493348412.db2.gz ITQUVAGARAWOJD-UHFFFAOYSA-N 2 2 373.501 0.777 10 0 FCAELP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000575401982 491552189 /nfs/dbraw/zinc/55/21/89/491552189.db2.gz YAYACQAGZDELHD-CXAGYDPISA-N 2 2 366.487 0.737 10 0 FCAELP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000575401982 491552190 /nfs/dbraw/zinc/55/21/90/491552190.db2.gz YAYACQAGZDELHD-CXAGYDPISA-N 2 2 366.487 0.737 10 0 FCAELP C[NH+]1CCN(c2cccc(C(=O)N3CCN(c4[nH]cc[nH+]4)CC3)n2)CC1 ZINC000575760001 491559094 /nfs/dbraw/zinc/55/90/94/491559094.db2.gz ZJZRXAZACAPEQW-UHFFFAOYSA-N 2 2 355.446 0.519 10 0 FCAELP Cn1cc[nH+]c1CN1CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000575865461 491566105 /nfs/dbraw/zinc/56/61/05/491566105.db2.gz CTJURAGGEAKKQZ-SIXWZSSISA-N 2 2 361.490 0.597 10 0 FCAELP Cc1ccc([C@H](CNC(=O)N2CCOC3(C[NH2+]C3)C2)[NH+]2CCOCC2)cc1 ZINC000584458665 491593658 /nfs/dbraw/zinc/59/36/58/491593658.db2.gz ALKPLOWBUJHDQD-SFHVURJKSA-N 2 2 374.485 0.752 10 0 FCAELP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CCSC1 ZINC000584484075 491596598 /nfs/dbraw/zinc/59/65/98/491596598.db2.gz OQEOSJFEPWQIMN-KRWDZBQOSA-N 2 2 365.503 0.669 10 0 FCAELP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CCSC1 ZINC000584484075 491596602 /nfs/dbraw/zinc/59/66/02/491596602.db2.gz OQEOSJFEPWQIMN-KRWDZBQOSA-N 2 2 365.503 0.669 10 0 FCAELP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)CC1 ZINC000568670996 491599480 /nfs/dbraw/zinc/59/94/80/491599480.db2.gz MEWBCFPRYFUZBQ-KZNAEPCWSA-N 2 2 353.507 0.839 10 0 FCAELP CC[NH+]1CCC(NC(=O)C[N@H+]2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)CC1 ZINC000568670996 491599482 /nfs/dbraw/zinc/59/94/82/491599482.db2.gz MEWBCFPRYFUZBQ-KZNAEPCWSA-N 2 2 353.507 0.839 10 0 FCAELP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000568881528 491616659 /nfs/dbraw/zinc/61/66/59/491616659.db2.gz WAIYFDCEDYIUCE-KGLIPLIRSA-N 2 2 350.488 0.844 10 0 FCAELP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000568881528 491616660 /nfs/dbraw/zinc/61/66/60/491616660.db2.gz WAIYFDCEDYIUCE-KGLIPLIRSA-N 2 2 350.488 0.844 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000577502147 491626987 /nfs/dbraw/zinc/62/69/87/491626987.db2.gz WDVJZTJFVZXQRJ-INIZCTEOSA-N 2 2 373.501 0.887 10 0 FCAELP C[NH+](C)[C@@H](CNC(=O)N1CCOC2(C[NH2+]C2)C1)c1c(F)cccc1F ZINC000578052902 491668750 /nfs/dbraw/zinc/66/87/50/491668750.db2.gz LJMQDIFSJITGDG-AWEZNQCLSA-N 2 2 354.401 0.951 10 0 FCAELP Cn1cc[nH+]c1CN1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000578409573 491676693 /nfs/dbraw/zinc/67/66/93/491676693.db2.gz AAFFLOHTTWHLGN-UHFFFAOYSA-N 2 2 358.446 0.962 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000584856501 491717696 /nfs/dbraw/zinc/71/76/96/491717696.db2.gz KJSDLEOUBOYAJT-UHFFFAOYSA-N 2 2 373.501 0.887 10 0 FCAELP COC(=O)C[C@H]([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000580711978 491742638 /nfs/dbraw/zinc/74/26/38/491742638.db2.gz RXIOEDMMUUWFNV-BZPMIXESSA-N 2 2 350.419 0.202 10 0 FCAELP CSCCCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588682055 491745943 /nfs/dbraw/zinc/74/59/43/491745943.db2.gz CTRUHQVCOXWGHV-INIZCTEOSA-N 2 2 370.563 0.873 10 0 FCAELP CSCCCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588682055 491745945 /nfs/dbraw/zinc/74/59/45/491745945.db2.gz CTRUHQVCOXWGHV-INIZCTEOSA-N 2 2 370.563 0.873 10 0 FCAELP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@H]3CCCn4cc[nH+]c43)CC[C@@H]21 ZINC000582085350 491797427 /nfs/dbraw/zinc/79/74/27/491797427.db2.gz CQJDQYXDNMPQGS-OAGGEKHMSA-N 2 2 359.474 0.819 10 0 FCAELP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@H]3CCCn4cc[nH+]c43)CC[C@@H]21 ZINC000582085350 491797428 /nfs/dbraw/zinc/79/74/28/491797428.db2.gz CQJDQYXDNMPQGS-OAGGEKHMSA-N 2 2 359.474 0.819 10 0 FCAELP CCCCN(C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000582360784 491809187 /nfs/dbraw/zinc/80/91/87/491809187.db2.gz MJGKZWVWVODODQ-IXDOHACOSA-N 2 2 371.547 0.734 10 0 FCAELP CCCCN(C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000582360784 491809188 /nfs/dbraw/zinc/80/91/88/491809188.db2.gz MJGKZWVWVODODQ-IXDOHACOSA-N 2 2 371.547 0.734 10 0 FCAELP CNC(=O)[C@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000583197970 491839984 /nfs/dbraw/zinc/83/99/84/491839984.db2.gz SDWSYUZRFNOSFP-INIZCTEOSA-N 2 2 365.522 0.714 10 0 FCAELP C[NH+](C)CCn1nccc1NC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000583224684 491840529 /nfs/dbraw/zinc/84/05/29/491840529.db2.gz VAFUHRJOVWFZHP-UHFFFAOYSA-N 2 2 358.446 0.924 10 0 FCAELP Cc1nc(N)c(CNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)c[nH+]1 ZINC000583526475 491846904 /nfs/dbraw/zinc/84/69/04/491846904.db2.gz NRFUHAAQBHRLCU-UHFFFAOYSA-N 2 2 354.458 0.801 10 0 FCAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000584107214 491858627 /nfs/dbraw/zinc/85/86/27/491858627.db2.gz VBJVEABXSSATLF-OWCLPIDISA-N 2 2 353.488 0.806 10 0 FCAELP COC(=O)CC(C)(C)C[C@@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000595019886 491878467 /nfs/dbraw/zinc/87/84/67/491878467.db2.gz RRCIMLKTIQWTCK-HZPDHXFCSA-N 2 2 369.506 0.877 10 0 FCAELP COC(=O)CCN1CCC[C@H]([N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1=O ZINC000600720203 491878828 /nfs/dbraw/zinc/87/88/28/491878828.db2.gz FKLBELWIUAPIIU-XQQFMLRXSA-N 2 2 365.396 1.000 10 0 FCAELP COC(=O)CCN1CCC[C@H]([N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1=O ZINC000600720203 491878830 /nfs/dbraw/zinc/87/88/30/491878830.db2.gz FKLBELWIUAPIIU-XQQFMLRXSA-N 2 2 365.396 1.000 10 0 FCAELP Cc1cc(CNC(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc(C)[nH+]1 ZINC000611990088 491888835 /nfs/dbraw/zinc/88/88/35/491888835.db2.gz VUYZWXFKVSDRFH-QGZVFWFLSA-N 2 2 360.458 0.372 10 0 FCAELP Cc1cc(CNC(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc(C)[nH+]1 ZINC000611990088 491888837 /nfs/dbraw/zinc/88/88/37/491888837.db2.gz VUYZWXFKVSDRFH-QGZVFWFLSA-N 2 2 360.458 0.372 10 0 FCAELP CC(C)(C)OC(=O)C1CC[NH+](Cc2cn(C[C@H]3C[NH2+]CCO3)nn2)CC1 ZINC000600977270 491890911 /nfs/dbraw/zinc/89/09/11/491890911.db2.gz DSVWFZSGARBSFX-MRXNPFEDSA-N 2 2 365.478 0.820 10 0 FCAELP C[NH+](C)CCN1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000601043305 491895419 /nfs/dbraw/zinc/89/54/19/491895419.db2.gz CGWIJTQDWFEMAA-UHFFFAOYSA-N 2 2 360.502 0.838 10 0 FCAELP CCOC(=O)c1ncc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)s1 ZINC000601325406 491904647 /nfs/dbraw/zinc/90/46/47/491904647.db2.gz JZZXRJNGXYFGTP-GFCCVEGCSA-N 2 2 352.460 0.716 10 0 FCAELP CCOC(=O)c1ncc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)s1 ZINC000601325406 491904648 /nfs/dbraw/zinc/90/46/48/491904648.db2.gz JZZXRJNGXYFGTP-GFCCVEGCSA-N 2 2 352.460 0.716 10 0 FCAELP COC(=O)CCN1CCC[C@H]([NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC000595369995 491925053 /nfs/dbraw/zinc/92/50/53/491925053.db2.gz CKUXFLBQXJULSC-IRXDYDNUSA-N 2 2 366.506 0.252 10 0 FCAELP COC(=O)CCN1CCC[C@H]([NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC000595369995 491925055 /nfs/dbraw/zinc/92/50/55/491925055.db2.gz CKUXFLBQXJULSC-IRXDYDNUSA-N 2 2 366.506 0.252 10 0 FCAELP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O)C1CC1 ZINC000601969442 491956164 /nfs/dbraw/zinc/95/61/64/491956164.db2.gz RGCKBOXWFSUVBY-HOTGVXAUSA-N 2 2 369.506 0.754 10 0 FCAELP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O)C1CC1 ZINC000601969442 491956165 /nfs/dbraw/zinc/95/61/65/491956165.db2.gz RGCKBOXWFSUVBY-HOTGVXAUSA-N 2 2 369.506 0.754 10 0 FCAELP COC(=O)[C@H]1C[C@@H]([NH+](C)CC2(C[N@@H+](C)[C@H]3C[C@@H](C(=O)OC)C3)COC2)C1 ZINC000595855956 491956898 /nfs/dbraw/zinc/95/68/98/491956898.db2.gz INLSFRWZSWMRHN-RUPPMWDTSA-N 2 2 368.474 0.770 10 0 FCAELP COC(=O)[C@H]1C[C@@H]([NH+](C)CC2(C[N@H+](C)[C@H]3C[C@@H](C(=O)OC)C3)COC2)C1 ZINC000595855956 491956903 /nfs/dbraw/zinc/95/69/03/491956903.db2.gz INLSFRWZSWMRHN-RUPPMWDTSA-N 2 2 368.474 0.770 10 0 FCAELP CC1[C@H](C(=O)NCCc2c[nH+]cn2C)[C@H]1C(=O)NCCc1c[nH+]cn1C ZINC000613412510 491980986 /nfs/dbraw/zinc/98/09/86/491980986.db2.gz FEDGUNQZUTZMJP-HOTGVXAUSA-N 2 2 358.446 0.053 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNc1ncc(I)cn1 ZINC000596425871 491985083 /nfs/dbraw/zinc/98/50/83/491985083.db2.gz XVTNAHSCMJJPAC-UHFFFAOYSA-N 2 2 363.247 1.377 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNc1ncc(I)cn1 ZINC000596425871 491985084 /nfs/dbraw/zinc/98/50/84/491985084.db2.gz XVTNAHSCMJJPAC-UHFFFAOYSA-N 2 2 363.247 1.377 10 0 FCAELP Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000597463624 492039809 /nfs/dbraw/zinc/03/98/09/492039809.db2.gz UHWZXBQYMCWRJZ-PBHICJAKSA-N 2 2 370.457 0.919 10 0 FCAELP Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000597463624 492039810 /nfs/dbraw/zinc/03/98/10/492039810.db2.gz UHWZXBQYMCWRJZ-PBHICJAKSA-N 2 2 370.457 0.919 10 0 FCAELP CN(C)C(=O)C1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604208781 492055149 /nfs/dbraw/zinc/05/51/49/492055149.db2.gz IOOIKXVMQKRLGZ-INIZCTEOSA-N 2 2 365.522 0.665 10 0 FCAELP CN(C)C(=O)C1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604208781 492055150 /nfs/dbraw/zinc/05/51/50/492055150.db2.gz IOOIKXVMQKRLGZ-INIZCTEOSA-N 2 2 365.522 0.665 10 0 FCAELP CC1(C)C[NH+](CC(=O)N[C@@]2(C)CCN(C(=O)C[NH+]3CC(C)(C)C3)C2)C1 ZINC000614984994 492067537 /nfs/dbraw/zinc/06/75/37/492067537.db2.gz PIJUKCBELMRGCO-IBGZPJMESA-N 2 2 350.507 0.777 10 0 FCAELP CC1[C@H](C(=O)N2CCn3c[nH+]cc3C2)[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000615038912 492069818 /nfs/dbraw/zinc/06/98/18/492069818.db2.gz AHKCZJRXYALPFV-HOTGVXAUSA-N 2 2 354.414 0.346 10 0 FCAELP C[NH+]1CCN(c2cccc(C(=O)N3CC(C[NH+]4CCOCC4)C3)n2)CC1 ZINC000615144847 492075389 /nfs/dbraw/zinc/07/53/89/492075389.db2.gz GUJQCUBUVHFDKN-UHFFFAOYSA-N 2 2 359.474 0.238 10 0 FCAELP O[C@H](COc1ccc2c(c1)OCO2)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000607751591 492150966 /nfs/dbraw/zinc/15/09/66/492150966.db2.gz RVDHHGVUVSXHOQ-CVEARBPZSA-N 2 2 364.442 0.809 10 0 FCAELP O[C@H](COc1ccc2c(c1)OCO2)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000607751591 492150967 /nfs/dbraw/zinc/15/09/67/492150967.db2.gz RVDHHGVUVSXHOQ-CVEARBPZSA-N 2 2 364.442 0.809 10 0 FCAELP O[C@@H](COc1ccc2c(c1)OCO2)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000607751593 492151096 /nfs/dbraw/zinc/15/10/96/492151096.db2.gz RVDHHGVUVSXHOQ-HZPDHXFCSA-N 2 2 364.442 0.809 10 0 FCAELP O[C@@H](COc1ccc2c(c1)OCO2)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000607751593 492151099 /nfs/dbraw/zinc/15/10/99/492151099.db2.gz RVDHHGVUVSXHOQ-HZPDHXFCSA-N 2 2 364.442 0.809 10 0 FCAELP CN(CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(=O)C1CC1 ZINC000607944933 492154099 /nfs/dbraw/zinc/15/40/99/492154099.db2.gz GDQMHRDOBWTNQK-UHFFFAOYSA-N 2 2 350.507 0.921 10 0 FCAELP C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[NH+](C)CC3)c[nH+]2)C[C@@H](C)O1 ZINC000599310983 492158538 /nfs/dbraw/zinc/15/85/38/492158538.db2.gz KTMPSSXSNOUOJA-HZPDHXFCSA-N 2 2 361.490 0.559 10 0 FCAELP CCOC(=O)C[C@@H](O)C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000599376047 492165521 /nfs/dbraw/zinc/16/55/21/492165521.db2.gz CMIOWUFKJFGTDB-MJGOQNOKSA-N 2 2 350.459 0.869 10 0 FCAELP CCOC(=O)C[C@@H](O)C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000599376047 492165522 /nfs/dbraw/zinc/16/55/22/492165522.db2.gz CMIOWUFKJFGTDB-MJGOQNOKSA-N 2 2 350.459 0.869 10 0 FCAELP CCOC(=O)C[C@@H](O)C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000599376047 492165524 /nfs/dbraw/zinc/16/55/24/492165524.db2.gz CMIOWUFKJFGTDB-MJGOQNOKSA-N 2 2 350.459 0.869 10 0 FCAELP CCOC(=O)C[C@@H](O)C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000599376047 492165526 /nfs/dbraw/zinc/16/55/26/492165526.db2.gz CMIOWUFKJFGTDB-MJGOQNOKSA-N 2 2 350.459 0.869 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000617768005 492190774 /nfs/dbraw/zinc/19/07/74/492190774.db2.gz LUAWKHUPYKNCLW-UHFFFAOYSA-N 2 2 356.492 0.671 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000617768005 492190776 /nfs/dbraw/zinc/19/07/76/492190776.db2.gz LUAWKHUPYKNCLW-UHFFFAOYSA-N 2 2 356.492 0.671 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000617766342 492190807 /nfs/dbraw/zinc/19/08/07/492190807.db2.gz GZHBAAOPWYCMBU-UHFFFAOYSA-N 2 2 365.869 0.929 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000617766342 492190808 /nfs/dbraw/zinc/19/08/08/492190808.db2.gz GZHBAAOPWYCMBU-UHFFFAOYSA-N 2 2 365.869 0.929 10 0 FCAELP CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617766823 492191072 /nfs/dbraw/zinc/19/10/72/492191072.db2.gz WDZBSFWDTVGBFL-CABCVRRESA-N 2 2 358.552 0.934 10 0 FCAELP CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617766823 492191074 /nfs/dbraw/zinc/19/10/74/492191074.db2.gz WDZBSFWDTVGBFL-CABCVRRESA-N 2 2 358.552 0.934 10 0 FCAELP COC(=O)[C@H](C)Oc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1F ZINC000599609013 492193544 /nfs/dbraw/zinc/19/35/44/492193544.db2.gz AOXJYYLLLVHGDS-AAEUAGOBSA-N 2 2 368.409 0.873 10 0 FCAELP COC(=O)[C@H](C)Oc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1F ZINC000599609013 492193545 /nfs/dbraw/zinc/19/35/45/492193545.db2.gz AOXJYYLLLVHGDS-AAEUAGOBSA-N 2 2 368.409 0.873 10 0 FCAELP CCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC[N@H+](CC)C1 ZINC000617929600 492205314 /nfs/dbraw/zinc/20/53/14/492205314.db2.gz MYGFEQFTMAMFDO-SJORKVTESA-N 2 2 366.506 0.110 10 0 FCAELP CCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000617929600 492205315 /nfs/dbraw/zinc/20/53/15/492205315.db2.gz MYGFEQFTMAMFDO-SJORKVTESA-N 2 2 366.506 0.110 10 0 FCAELP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000618561243 492231816 /nfs/dbraw/zinc/23/18/16/492231816.db2.gz WBODFXDMMFVIMW-SJORKVTESA-N 2 2 365.522 0.809 10 0 FCAELP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000618561243 492231818 /nfs/dbraw/zinc/23/18/18/492231818.db2.gz WBODFXDMMFVIMW-SJORKVTESA-N 2 2 365.522 0.809 10 0 FCAELP CC(C)[C@H](C(=O)NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1)[NH+](C)C ZINC000619940796 492282983 /nfs/dbraw/zinc/28/29/83/492282983.db2.gz 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492458488 /nfs/dbraw/zinc/45/84/88/492458488.db2.gz ZXKJBJUTDCMSQE-UHFFFAOYSA-N 2 2 361.446 0.102 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cn1c2ccccc2c(=O)[nH]c1=O ZINC000622144762 492458492 /nfs/dbraw/zinc/45/84/92/492458492.db2.gz ZXKJBJUTDCMSQE-UHFFFAOYSA-N 2 2 361.446 0.102 10 0 FCAELP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC[C@H]1c1ccc(F)cc1 ZINC000643483919 492477815 /nfs/dbraw/zinc/47/78/15/492477815.db2.gz QHXVNVIHEIHEDU-ZWKOTPCHSA-N 2 2 374.460 0.776 10 0 FCAELP CC[C@@H]1CN(C(=O)C(=O)N2CCN(c3c[nH+]ccc3C)CC2)CC[C@H]1[NH3+] ZINC000643541468 492494785 /nfs/dbraw/zinc/49/47/85/492494785.db2.gz NXWGIBUNFBOBPT-HZPDHXFCSA-N 2 2 359.474 0.624 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)CC2 ZINC000643593759 492503658 /nfs/dbraw/zinc/50/36/58/492503658.db2.gz PERJZUDRAXOMRH-JKSUJKDBSA-N 2 2 359.474 0.914 10 0 FCAELP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656039747 492522232 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492531548 /nfs/dbraw/zinc/53/15/48/492531548.db2.gz OHJUZMIKAAQGDF-PNBKFKSVSA-N 2 2 366.506 0.295 10 0 FCAELP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656069751 492531551 /nfs/dbraw/zinc/53/15/51/492531551.db2.gz OHJUZMIKAAQGDF-PNBKFKSVSA-N 2 2 366.506 0.295 10 0 FCAELP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656069751 492531553 /nfs/dbraw/zinc/53/15/53/492531553.db2.gz OHJUZMIKAAQGDF-PNBKFKSVSA-N 2 2 366.506 0.295 10 0 FCAELP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656069751 492531555 /nfs/dbraw/zinc/53/15/55/492531555.db2.gz OHJUZMIKAAQGDF-PNBKFKSVSA-N 2 2 366.506 0.295 10 0 FCAELP O=C(N[C@@H]1Cc2c[nH+]cn2C1)C1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CCC1 ZINC000623264623 492534955 /nfs/dbraw/zinc/53/49/55/492534955.db2.gz PLIXTBKSKDCFMV-BETUJISGSA-N 2 2 354.414 0.032 10 0 FCAELP CCN1C(=O)CO[C@@H](C(=O)NCC[NH+](CC)CC)[C@@H]1c1[nH+]ccn1C ZINC000623346407 492546400 /nfs/dbraw/zinc/54/64/00/492546400.db2.gz QJZKAZATPUAOKW-HUUCEWRRSA-N 2 2 351.451 0.167 10 0 FCAELP C[NH+](C)CCOc1cccc(CNC(=O)NC[C@H]2COCC[N@@H+]2C)c1 ZINC000623455501 492555432 /nfs/dbraw/zinc/55/54/32/492555432.db2.gz TYRIEZATZCMFOS-INIZCTEOSA-N 2 2 350.463 0.757 10 0 FCAELP C[NH+](C)CCOc1cccc(CNC(=O)NC[C@H]2COCC[N@H+]2C)c1 ZINC000623455501 492555434 /nfs/dbraw/zinc/55/54/34/492555434.db2.gz TYRIEZATZCMFOS-INIZCTEOSA-N 2 2 350.463 0.757 10 0 FCAELP C[NH+](C)CCN1CC[N@H+](CCC(=O)Nc2ccc3c(c2)OCO3)CC1=O ZINC000649686309 492571742 /nfs/dbraw/zinc/57/17/42/492571742.db2.gz CFBFTAIIGQFVAM-UHFFFAOYSA-N 2 2 362.430 0.450 10 0 FCAELP C[NH+](C)CCN1CC[N@@H+](CCC(=O)Nc2ccc3c(c2)OCO3)CC1=O ZINC000649686309 492571747 /nfs/dbraw/zinc/57/17/47/492571747.db2.gz CFBFTAIIGQFVAM-UHFFFAOYSA-N 2 2 362.430 0.450 10 0 FCAELP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656294987 492573696 /nfs/dbraw/zinc/57/36/96/492573696.db2.gz DHIQATZHHLGXFU-VQHPVUNQSA-N 2 2 368.522 0.591 10 0 FCAELP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656294987 492573700 /nfs/dbraw/zinc/57/37/00/492573700.db2.gz DHIQATZHHLGXFU-VQHPVUNQSA-N 2 2 368.522 0.591 10 0 FCAELP COC[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000649741356 492577191 /nfs/dbraw/zinc/57/71/91/492577191.db2.gz LZWOXSOGSWTJCV-RBUKOAKNSA-N 2 2 361.486 0.721 10 0 FCAELP COC[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000649741356 492577194 /nfs/dbraw/zinc/57/71/94/492577194.db2.gz LZWOXSOGSWTJCV-RBUKOAKNSA-N 2 2 361.486 0.721 10 0 FCAELP C[C@H](CNC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C1CC1 ZINC000656310526 492584944 /nfs/dbraw/zinc/58/49/44/492584944.db2.gz ZFAUVQBBLDFWQE-BARDWOONSA-N 2 2 354.495 0.199 10 0 FCAELP C[C@H](CNC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C1CC1 ZINC000656310526 492584946 /nfs/dbraw/zinc/58/49/46/492584946.db2.gz ZFAUVQBBLDFWQE-BARDWOONSA-N 2 2 354.495 0.199 10 0 FCAELP C[C@H](CNC(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000656310526 492584948 /nfs/dbraw/zinc/58/49/48/492584948.db2.gz ZFAUVQBBLDFWQE-BARDWOONSA-N 2 2 354.495 0.199 10 0 FCAELP C[C@H](CNC(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000656310526 492584950 /nfs/dbraw/zinc/58/49/50/492584950.db2.gz ZFAUVQBBLDFWQE-BARDWOONSA-N 2 2 354.495 0.199 10 0 FCAELP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000656316457 492588822 /nfs/dbraw/zinc/58/88/22/492588822.db2.gz RWCLXPPYARIYHW-VVLHAWIVSA-N 2 2 366.506 0.202 10 0 FCAELP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656317507 492589423 /nfs/dbraw/zinc/58/94/23/492589423.db2.gz YGHMXZDKPMEGRS-WCXIOVBPSA-N 2 2 368.522 0.591 10 0 FCAELP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656317507 492589427 /nfs/dbraw/zinc/58/94/27/492589427.db2.gz YGHMXZDKPMEGRS-WCXIOVBPSA-N 2 2 368.522 0.591 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656334918 492599219 /nfs/dbraw/zinc/59/92/19/492599219.db2.gz UWPDWFPSTPDJDU-NMNMXBMNSA-N 2 2 366.506 0.199 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656334918 492599221 /nfs/dbraw/zinc/59/92/21/492599221.db2.gz UWPDWFPSTPDJDU-NMNMXBMNSA-N 2 2 366.506 0.199 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N[C@H]1C[NH+](C2CC2)C[C@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656334918 492599227 /nfs/dbraw/zinc/59/92/27/492599227.db2.gz UWPDWFPSTPDJDU-NMNMXBMNSA-N 2 2 366.506 0.199 10 0 FCAELP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656338943 492601386 /nfs/dbraw/zinc/60/13/86/492601386.db2.gz BYTBBHZNMAJYOY-YESZJQIVSA-N 2 2 370.538 0.694 10 0 FCAELP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656338943 492601389 /nfs/dbraw/zinc/60/13/89/492601389.db2.gz BYTBBHZNMAJYOY-YESZJQIVSA-N 2 2 370.538 0.694 10 0 FCAELP CC(C)C[NH+](C)CCCNC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656338943 492601392 /nfs/dbraw/zinc/60/13/92/492601392.db2.gz BYTBBHZNMAJYOY-YESZJQIVSA-N 2 2 370.538 0.694 10 0 FCAELP CC(C)C[NH+](C)CCCNC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656338943 492601395 /nfs/dbraw/zinc/60/13/95/492601395.db2.gz BYTBBHZNMAJYOY-YESZJQIVSA-N 2 2 370.538 0.694 10 0 FCAELP C[NH+](C)CCCOc1cnccc1CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624075504 492617925 /nfs/dbraw/zinc/61/79/25/492617925.db2.gz HWQDXPXNGPYPIT-INIZCTEOSA-N 2 2 365.478 0.542 10 0 FCAELP C[NH+](C)CCCOc1cnccc1CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000624075504 492617930 /nfs/dbraw/zinc/61/79/30/492617930.db2.gz HWQDXPXNGPYPIT-INIZCTEOSA-N 2 2 365.478 0.542 10 0 FCAELP CCN1C(=O)CO[C@H](C(=O)NC[C@@H](C2CC2)[NH+](C)C)[C@H]1c1[nH+]ccn1C ZINC000624418957 492648753 /nfs/dbraw/zinc/64/87/53/492648753.db2.gz WWXVMWBMEVTRJS-BPUTZDHNSA-N 2 2 363.462 0.165 10 0 FCAELP C[NH2+]CCOCC[N@H+](C)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000629572206 492650386 /nfs/dbraw/zinc/65/03/86/492650386.db2.gz XUZHMCNJQMODGD-UHFFFAOYSA-N 3 2 362.518 0.807 10 0 FCAELP C[NH2+]CCOCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000629572206 492650390 /nfs/dbraw/zinc/65/03/90/492650390.db2.gz XUZHMCNJQMODGD-UHFFFAOYSA-N 3 2 362.518 0.807 10 0 FCAELP Cc1cc(NCCNC(=O)NC[C@@H]2COCC[N@@H+]2C)nc(C(C)C)[nH+]1 ZINC000624732977 492676865 /nfs/dbraw/zinc/67/68/65/492676865.db2.gz QUSCYYXMFVPQKP-CQSZACIVSA-N 2 2 350.467 0.950 10 0 FCAELP Cc1cc(NCCNC(=O)NC[C@@H]2COCC[N@H+]2C)nc(C(C)C)[nH+]1 ZINC000624732977 492676868 /nfs/dbraw/zinc/67/68/68/492676868.db2.gz QUSCYYXMFVPQKP-CQSZACIVSA-N 2 2 350.467 0.950 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)CC2 ZINC000629801918 492679983 /nfs/dbraw/zinc/67/99/83/492679983.db2.gz PKFNVTCOPBJGFA-VXGBXAGGSA-N 2 2 373.379 0.519 10 0 FCAELP Cc1cccn2cc(CCNC(=O)N3CCN(CC[NH+](C)C)C(=O)C3)[nH+]c12 ZINC000650948509 492687567 /nfs/dbraw/zinc/68/75/67/492687567.db2.gz JNTHWVDKKQEUHF-UHFFFAOYSA-N 2 2 372.473 0.601 10 0 FCAELP Cc1c(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)coc1C(=O)N(C)C ZINC000657091643 492715173 /nfs/dbraw/zinc/71/51/73/492715173.db2.gz NQZAYWKQBHFSSD-UHFFFAOYSA-N 2 2 374.507 0.452 10 0 FCAELP Cc1c(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)coc1C(=O)N(C)C ZINC000657091643 492715178 /nfs/dbraw/zinc/71/51/78/492715178.db2.gz NQZAYWKQBHFSSD-UHFFFAOYSA-N 2 2 374.507 0.452 10 0 FCAELP Cn1cc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)c(C(F)(F)F)n1 ZINC000657092281 492715545 /nfs/dbraw/zinc/71/55/45/492715545.db2.gz SKTDKYOVNSCADZ-UHFFFAOYSA-N 2 2 371.429 0.601 10 0 FCAELP Cn1cc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(C(F)(F)F)n1 ZINC000657092281 492715548 /nfs/dbraw/zinc/71/55/48/492715548.db2.gz SKTDKYOVNSCADZ-UHFFFAOYSA-N 2 2 371.429 0.601 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000657091231 492715760 /nfs/dbraw/zinc/71/57/60/492715760.db2.gz KJMMTFKITVGUNL-UHFFFAOYSA-N 2 2 368.503 0.134 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000657091231 492715762 /nfs/dbraw/zinc/71/57/62/492715762.db2.gz KJMMTFKITVGUNL-UHFFFAOYSA-N 2 2 368.503 0.134 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000657093301 492716441 /nfs/dbraw/zinc/71/64/41/492716441.db2.gz WMTNZKRBTIMUCI-UHFFFAOYSA-N 2 2 370.475 0.179 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000657093301 492716443 /nfs/dbraw/zinc/71/64/43/492716443.db2.gz WMTNZKRBTIMUCI-UHFFFAOYSA-N 2 2 370.475 0.179 10 0 FCAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)CC2 ZINC000625086687 492721742 /nfs/dbraw/zinc/72/17/42/492721742.db2.gz YKLIPXUIMSTNAB-JKSUJKDBSA-N 2 2 361.490 0.813 10 0 FCAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)CC2 ZINC000625086687 492721746 /nfs/dbraw/zinc/72/17/46/492721746.db2.gz YKLIPXUIMSTNAB-JKSUJKDBSA-N 2 2 361.490 0.813 10 0 FCAELP CN(C(=O)NCC[C@]1(O)CCOC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000651284488 492734935 /nfs/dbraw/zinc/73/49/35/492734935.db2.gz HEHWNORFCBPQQA-AEFFLSMTSA-N 2 2 354.495 0.338 10 0 FCAELP CN(C(=O)NCC[C@]1(O)CCOC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000651284488 492734940 /nfs/dbraw/zinc/73/49/40/492734940.db2.gz HEHWNORFCBPQQA-AEFFLSMTSA-N 2 2 354.495 0.338 10 0 FCAELP CCN1C(=O)CO[C@H](C(=O)NC[C@@H](C)[N@H+](C)C2CC2)[C@H]1c1[nH+]ccn1C ZINC000625197465 492737791 /nfs/dbraw/zinc/73/77/91/492737791.db2.gz JINLVXDFJMAGKG-KCXAZCMYSA-N 2 2 363.462 0.307 10 0 FCAELP CCN1C(=O)CO[C@H](C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)[C@H]1c1[nH+]ccn1C ZINC000625197465 492737793 /nfs/dbraw/zinc/73/77/93/492737793.db2.gz JINLVXDFJMAGKG-KCXAZCMYSA-N 2 2 363.462 0.307 10 0 FCAELP CCN1C(=O)CO[C@@H](C(=O)NCC[N@H+](CC)C2CC2)[C@@H]1c1[nH+]ccn1C ZINC000625224520 492741430 /nfs/dbraw/zinc/74/14/30/492741430.db2.gz QWTPHJQASQSAPB-HZPDHXFCSA-N 2 2 363.462 0.309 10 0 FCAELP CCN1C(=O)CO[C@@H](C(=O)NCC[N@@H+](CC)C2CC2)[C@@H]1c1[nH+]ccn1C ZINC000625224520 492741433 /nfs/dbraw/zinc/74/14/33/492741433.db2.gz QWTPHJQASQSAPB-HZPDHXFCSA-N 2 2 363.462 0.309 10 0 FCAELP Cc1c[nH]c(C[NH2+]C[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)n1 ZINC000657447251 492752045 /nfs/dbraw/zinc/75/20/45/492752045.db2.gz OHNVHRIRIIGNPR-OAHLLOKOSA-N 2 2 371.489 0.654 10 0 FCAELP COCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000625376757 492768055 /nfs/dbraw/zinc/76/80/55/492768055.db2.gz NOEQAZHVWGRBPY-QGZVFWFLSA-N 2 2 366.506 0.300 10 0 FCAELP COCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000625376757 492768057 /nfs/dbraw/zinc/76/80/57/492768057.db2.gz NOEQAZHVWGRBPY-QGZVFWFLSA-N 2 2 366.506 0.300 10 0 FCAELP CC[C@@H](C)[C@@H](NC(=O)Cn1c[nH+]cc1C)C(=O)NCC[NH+]1CCOCC1 ZINC000625483774 492797091 /nfs/dbraw/zinc/79/70/91/492797091.db2.gz VQCMPMNDVIHWDH-RHSMWYFYSA-N 2 2 365.478 0.171 10 0 FCAELP Cc1cnn(C)c1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000657823459 492799302 /nfs/dbraw/zinc/79/93/02/492799302.db2.gz HEOKWSARGMQWMJ-UHFFFAOYSA-N 2 2 350.467 0.151 10 0 FCAELP Cc1cnn(C)c1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000657823459 492799303 /nfs/dbraw/zinc/79/93/03/492799303.db2.gz HEOKWSARGMQWMJ-UHFFFAOYSA-N 2 2 350.467 0.151 10 0 FCAELP Cc1cnn(C)c1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000657839390 492801177 /nfs/dbraw/zinc/80/11/77/492801177.db2.gz UAINOVJWDGLKTM-HNNXBMFYSA-N 2 2 362.478 0.294 10 0 FCAELP Cc1cnn(C)c1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000657839390 492801180 /nfs/dbraw/zinc/80/11/80/492801180.db2.gz UAINOVJWDGLKTM-HNNXBMFYSA-N 2 2 362.478 0.294 10 0 FCAELP Cc1cn2ccc(NC(=O)C(=O)N3CN(CC[NH+](C)C)C(=O)[C@H]3C)cc2[nH+]1 ZINC000658040245 492832100 /nfs/dbraw/zinc/83/21/00/492832100.db2.gz LXVVZKYFIAQMTM-CYBMUJFWSA-N 2 2 372.429 0.160 10 0 FCAELP COc1cccc([C@H](CNS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)[NH+](C)C)c1 ZINC000631665719 492832570 /nfs/dbraw/zinc/83/25/70/492832570.db2.gz YRGJRSZDNNAQOM-SJORKVTESA-N 2 2 371.503 0.548 10 0 FCAELP COc1cccc([C@H](CNS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)[NH+](C)C)c1 ZINC000631665719 492832573 /nfs/dbraw/zinc/83/25/73/492832573.db2.gz YRGJRSZDNNAQOM-SJORKVTESA-N 2 2 371.503 0.548 10 0 FCAELP C[C@H](CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000631724192 492841303 /nfs/dbraw/zinc/84/13/03/492841303.db2.gz YQVSFSHKARGORP-CRAIPNDOSA-N 2 2 367.515 0.683 10 0 FCAELP C[C@H](CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000631724192 492841306 /nfs/dbraw/zinc/84/13/06/492841306.db2.gz YQVSFSHKARGORP-CRAIPNDOSA-N 2 2 367.515 0.683 10 0 FCAELP C[C@H](CNS(=O)(=O)C[C@H]1C[NH+](C)CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000631724192 492841309 /nfs/dbraw/zinc/84/13/09/492841309.db2.gz YQVSFSHKARGORP-CRAIPNDOSA-N 2 2 367.515 0.683 10 0 FCAELP C[C@H](CNS(=O)(=O)C[C@H]1C[NH+](C)CCO1)[N@H+]1CCc2ccccc2C1 ZINC000631724192 492841311 /nfs/dbraw/zinc/84/13/11/492841311.db2.gz YQVSFSHKARGORP-CRAIPNDOSA-N 2 2 367.515 0.683 10 0 FCAELP CC[N@H+](C)Cc1cccc(CNS(=O)(=O)C[C@H]2C[NH+](C)CCO2)c1 ZINC000631785173 492851890 /nfs/dbraw/zinc/85/18/90/492851890.db2.gz MGWPWQZHWROJCN-QGZVFWFLSA-N 2 2 355.504 0.888 10 0 FCAELP CC[N@@H+](C)Cc1cccc(CNS(=O)(=O)C[C@H]2C[NH+](C)CCO2)c1 ZINC000631785173 492851894 /nfs/dbraw/zinc/85/18/94/492851894.db2.gz MGWPWQZHWROJCN-QGZVFWFLSA-N 2 2 355.504 0.888 10 0 FCAELP CC[NH+](C)Cc1cccc(CNS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)c1 ZINC000631785173 492851895 /nfs/dbraw/zinc/85/18/95/492851895.db2.gz MGWPWQZHWROJCN-QGZVFWFLSA-N 2 2 355.504 0.888 10 0 FCAELP CC[NH+](C)Cc1cccc(CNS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)c1 ZINC000631785173 492851900 /nfs/dbraw/zinc/85/19/00/492851900.db2.gz MGWPWQZHWROJCN-QGZVFWFLSA-N 2 2 355.504 0.888 10 0 FCAELP COc1ccncc1NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000658335146 492861177 /nfs/dbraw/zinc/86/11/77/492861177.db2.gz KMQHPUTXQBZNNB-ZDUSSCGKSA-N 2 2 351.451 0.417 10 0 FCAELP COc1ccncc1NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000658335146 492861180 /nfs/dbraw/zinc/86/11/80/492861180.db2.gz KMQHPUTXQBZNNB-ZDUSSCGKSA-N 2 2 351.451 0.417 10 0 FCAELP CC(C)n1cc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cn1 ZINC000658335932 492861955 /nfs/dbraw/zinc/86/19/55/492861955.db2.gz JRMBISSKTGHAQH-AWEZNQCLSA-N 2 2 352.483 0.791 10 0 FCAELP CC(C)n1cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000658335932 492861956 /nfs/dbraw/zinc/86/19/56/492861956.db2.gz JRMBISSKTGHAQH-AWEZNQCLSA-N 2 2 352.483 0.791 10 0 FCAELP O=S(=O)(NC1CC1)c1ccc(C[NH+]2CCC([NH2+]CCO)CC2)cc1 ZINC000631861446 492865770 /nfs/dbraw/zinc/86/57/70/492865770.db2.gz BNSAXUFZCUDTSR-UHFFFAOYSA-N 2 2 353.488 0.674 10 0 FCAELP CC(C)N(CCCNC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)S(C)(=O)=O ZINC000631885865 492869345 /nfs/dbraw/zinc/86/93/45/492869345.db2.gz BWNREPOCYNOFOU-HOTGVXAUSA-N 2 2 374.551 0.237 10 0 FCAELP CC(C)N(CCCNC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)S(C)(=O)=O ZINC000631885865 492869349 /nfs/dbraw/zinc/86/93/49/492869349.db2.gz BWNREPOCYNOFOU-HOTGVXAUSA-N 2 2 374.551 0.237 10 0 FCAELP C[NH+](C)[C@H](CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)c1ccccc1Cl ZINC000631909372 492875874 /nfs/dbraw/zinc/87/58/74/492875874.db2.gz CLTIVXNBOCDGRJ-SWLSCSKDSA-N 2 2 361.895 0.851 10 0 FCAELP CCC(CC)[C@@H](CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000631911633 492878005 /nfs/dbraw/zinc/87/80/05/492878005.db2.gz MGDFOICMIQBCMD-JKSUJKDBSA-N 2 2 363.524 0.031 10 0 FCAELP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CC[NH+](CCc2cccs2)CC1 ZINC000631916542 492881628 /nfs/dbraw/zinc/88/16/28/492881628.db2.gz YEKDNIBUHBEVKW-CQSZACIVSA-N 2 2 359.517 0.226 10 0 FCAELP C[C@H](CNS(=O)(=O)C[C@H]1C[NH2+]CCO1)[N@@H+]1CCc2sccc2C1 ZINC000631915954 492881721 /nfs/dbraw/zinc/88/17/21/492881721.db2.gz QZWPOMFUVZOATR-TZMCWYRMSA-N 2 2 359.517 0.403 10 0 FCAELP C[C@H](CNS(=O)(=O)C[C@H]1C[NH2+]CCO1)[N@H+]1CCc2sccc2C1 ZINC000631915954 492881724 /nfs/dbraw/zinc/88/17/24/492881724.db2.gz QZWPOMFUVZOATR-TZMCWYRMSA-N 2 2 359.517 0.403 10 0 FCAELP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CC[NH+](CCc2cccs2)CC1 ZINC000631916541 492881889 /nfs/dbraw/zinc/88/18/89/492881889.db2.gz YEKDNIBUHBEVKW-AWEZNQCLSA-N 2 2 359.517 0.226 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)N1CCc2cc(F)ccc21 ZINC000658428062 492886468 /nfs/dbraw/zinc/88/64/68/492886468.db2.gz HUDABKMKDGHNCG-UHFFFAOYSA-N 2 2 350.438 0.715 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)N1CCc2cc(F)ccc21 ZINC000658428062 492886470 /nfs/dbraw/zinc/88/64/70/492886470.db2.gz HUDABKMKDGHNCG-UHFFFAOYSA-N 2 2 350.438 0.715 10 0 FCAELP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000631924322 492887231 /nfs/dbraw/zinc/88/72/31/492887231.db2.gz RXXNHBWTLTYGIT-MRXNPFEDSA-N 2 2 360.524 0.102 10 0 FCAELP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000658436244 492889312 /nfs/dbraw/zinc/88/93/12/492889312.db2.gz KREOOHLAIYAKRH-UHFFFAOYSA-N 2 2 350.488 0.412 10 0 FCAELP CCc1ccc([C@@H]2C[NH2+]CCN2S(=O)(=O)C[C@H]2C[NH2+]CCO2)cc1 ZINC000631935675 492891186 /nfs/dbraw/zinc/89/11/86/492891186.db2.gz LACNHDLPGOQZKG-SJORKVTESA-N 2 2 353.488 0.514 10 0 FCAELP C[C@H](CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)[NH+](C)Cc1ccccc1 ZINC000631939926 492893001 /nfs/dbraw/zinc/89/30/01/492893001.db2.gz LKGKHTSAUDDCBF-NVXWUHKLSA-N 2 2 355.504 0.757 10 0 FCAELP C[C@H](CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)[NH+](C)Cc1ccccc1 ZINC000631939926 492893007 /nfs/dbraw/zinc/89/30/07/492893007.db2.gz LKGKHTSAUDDCBF-NVXWUHKLSA-N 2 2 355.504 0.757 10 0 FCAELP C[C@H](CNS(=O)(=O)C[C@H]1C[NH+](C)CCO1)[N@H+](C)Cc1ccccc1 ZINC000631939926 492893009 /nfs/dbraw/zinc/89/30/09/492893009.db2.gz LKGKHTSAUDDCBF-NVXWUHKLSA-N 2 2 355.504 0.757 10 0 FCAELP C[C@H](CNS(=O)(=O)C[C@H]1C[NH+](C)CCO1)[N@@H+](C)Cc1ccccc1 ZINC000631939926 492893013 /nfs/dbraw/zinc/89/30/13/492893013.db2.gz LKGKHTSAUDDCBF-NVXWUHKLSA-N 2 2 355.504 0.757 10 0 FCAELP C[C@@H]1C(=O)N(C)CN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000645328528 492893348 /nfs/dbraw/zinc/89/33/48/492893348.db2.gz SUYOKRULSJHEHA-OAHLLOKOSA-N 2 2 351.495 0.766 10 0 FCAELP C[C@H]1C(=O)N(C)CN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000645328518 492893762 /nfs/dbraw/zinc/89/37/62/492893762.db2.gz SUYOKRULSJHEHA-HNNXBMFYSA-N 2 2 351.495 0.766 10 0 FCAELP C[NH+]1CCC2(CC1)CN(c1nc(NCCO)c3ccccc3[nH+]1)CCO2 ZINC000645387965 492900683 /nfs/dbraw/zinc/90/06/83/492900683.db2.gz UQEZTVJFFJGHJF-UHFFFAOYSA-N 2 2 357.458 1.335 10 0 FCAELP C[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1=O ZINC000638112938 492909467 /nfs/dbraw/zinc/90/94/67/492909467.db2.gz XJQSBFYAFJIKQR-WMZOPIPTSA-N 2 2 358.486 0.787 10 0 FCAELP C[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1=O ZINC000638112938 492909472 /nfs/dbraw/zinc/90/94/72/492909472.db2.gz XJQSBFYAFJIKQR-WMZOPIPTSA-N 2 2 358.486 0.787 10 0 FCAELP CCO[C@@H]1C[N@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C[C@H]1C[NH3+] ZINC000652357586 492916082 /nfs/dbraw/zinc/91/60/82/492916082.db2.gz ZZPBIHCTKNKBSX-IAGOWNOFSA-N 2 2 366.506 0.143 10 0 FCAELP CCO[C@@H]1C[N@@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C[C@H]1C[NH3+] ZINC000652357586 492916087 /nfs/dbraw/zinc/91/60/87/492916087.db2.gz ZZPBIHCTKNKBSX-IAGOWNOFSA-N 2 2 366.506 0.143 10 0 FCAELP C[N@H+](Cc1ccccc1)[C@H]1CCN(S(=O)(=O)C[C@H]2C[NH+](C)CCO2)C1 ZINC000632041101 492918057 /nfs/dbraw/zinc/91/80/57/492918057.db2.gz AQKOOXOFNBEZNH-ZWKOTPCHSA-N 2 2 367.515 0.853 10 0 FCAELP C[N@@H+](Cc1ccccc1)[C@H]1CCN(S(=O)(=O)C[C@H]2C[NH+](C)CCO2)C1 ZINC000632041101 492918060 /nfs/dbraw/zinc/91/80/60/492918060.db2.gz AQKOOXOFNBEZNH-ZWKOTPCHSA-N 2 2 367.515 0.853 10 0 FCAELP C[NH+](Cc1ccccc1)[C@H]1CCN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)C1 ZINC000632041101 492918061 /nfs/dbraw/zinc/91/80/61/492918061.db2.gz AQKOOXOFNBEZNH-ZWKOTPCHSA-N 2 2 367.515 0.853 10 0 FCAELP C[NH+](Cc1ccccc1)[C@H]1CCN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)C1 ZINC000632041101 492918064 /nfs/dbraw/zinc/91/80/64/492918064.db2.gz AQKOOXOFNBEZNH-ZWKOTPCHSA-N 2 2 367.515 0.853 10 0 FCAELP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](C)[C@H]3C[C@@H](C(N)=O)C3)CC2)c1 ZINC000626036537 492922303 /nfs/dbraw/zinc/92/23/03/492922303.db2.gz FYSPZGPDPPMKOP-HDICACEKSA-N 2 2 358.486 0.835 10 0 FCAELP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](C)[C@H]3C[C@@H](C(N)=O)C3)CC2)c1 ZINC000626036537 492922307 /nfs/dbraw/zinc/92/23/07/492922307.db2.gz FYSPZGPDPPMKOP-HDICACEKSA-N 2 2 358.486 0.835 10 0 FCAELP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000652392001 492922398 /nfs/dbraw/zinc/92/23/98/492922398.db2.gz WFMWOAKNZORGIA-QGZVFWFLSA-N 2 2 368.522 0.404 10 0 FCAELP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000652392001 492922403 /nfs/dbraw/zinc/92/24/03/492922403.db2.gz WFMWOAKNZORGIA-QGZVFWFLSA-N 2 2 368.522 0.404 10 0 FCAELP C[C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638285842 492928381 /nfs/dbraw/zinc/92/83/81/492928381.db2.gz NIHLBLZIWCXVIG-SJORKVTESA-N 2 2 358.486 0.930 10 0 FCAELP C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638285842 492928383 /nfs/dbraw/zinc/92/83/83/492928383.db2.gz NIHLBLZIWCXVIG-SJORKVTESA-N 2 2 358.486 0.930 10 0 FCAELP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658532926 492932593 /nfs/dbraw/zinc/93/25/93/492932593.db2.gz JFLAHYNMWPKYKE-INIZCTEOSA-N 2 2 370.413 0.139 10 0 FCAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)CC2 ZINC000626285168 492958052 /nfs/dbraw/zinc/95/80/52/492958052.db2.gz WPALNJPQILCEQR-CVEARBPZSA-N 2 2 363.506 0.963 10 0 FCAELP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658570943 492960551 /nfs/dbraw/zinc/96/05/51/492960551.db2.gz SFRYPNSGTWJDNK-MRXNPFEDSA-N 2 2 367.538 0.071 10 0 FCAELP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000658570943 492960554 /nfs/dbraw/zinc/96/05/54/492960554.db2.gz SFRYPNSGTWJDNK-MRXNPFEDSA-N 2 2 367.538 0.071 10 0 FCAELP C[NH+](C)C[C@H](NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)c1ccc(F)cc1 ZINC000632337914 492976499 /nfs/dbraw/zinc/97/64/99/492976499.db2.gz ZUPAWRXMDAHRGV-HOTGVXAUSA-N 2 2 359.467 0.678 10 0 FCAELP C[NH+](C)C[C@H](NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)c1ccc(F)cc1 ZINC000632337914 492976503 /nfs/dbraw/zinc/97/65/03/492976503.db2.gz ZUPAWRXMDAHRGV-HOTGVXAUSA-N 2 2 359.467 0.678 10 0 FCAELP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)C[C@H]1C[NH3+] ZINC000652688633 492991221 /nfs/dbraw/zinc/99/12/21/492991221.db2.gz HENTXVXFTSFVOE-DJIMGWMZSA-N 2 2 360.458 0.112 10 0 FCAELP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)C[C@H]1C[NH3+] ZINC000652688633 492991222 /nfs/dbraw/zinc/99/12/22/492991222.db2.gz HENTXVXFTSFVOE-DJIMGWMZSA-N 2 2 360.458 0.112 10 0 FCAELP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652713391 492998368 /nfs/dbraw/zinc/99/83/68/492998368.db2.gz MUCYDILAHHZGMV-UHFFFAOYSA-N 2 2 358.486 0.884 10 0 FCAELP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000652719813 493001916 /nfs/dbraw/zinc/00/19/16/493001916.db2.gz NFIIRNORDCCLDC-HNNXBMFYSA-N 2 2 362.474 0.201 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658677495 493005321 /nfs/dbraw/zinc/00/53/21/493005321.db2.gz QKJOHGOURNJDRJ-GJZGRUSLSA-N 2 2 354.495 0.155 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658677495 493005324 /nfs/dbraw/zinc/00/53/24/493005324.db2.gz QKJOHGOURNJDRJ-GJZGRUSLSA-N 2 2 354.495 0.155 10 0 FCAELP CCO[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)C[C@H]1C[NH3+] ZINC000652726126 493005876 /nfs/dbraw/zinc/00/58/76/493005876.db2.gz HFUUNJBNVVATCX-FGTMMUONSA-N 2 2 374.485 0.324 10 0 FCAELP CCO[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)C[C@H]1C[NH3+] ZINC000652726126 493005878 /nfs/dbraw/zinc/00/58/78/493005878.db2.gz HFUUNJBNVVATCX-FGTMMUONSA-N 2 2 374.485 0.324 10 0 FCAELP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000646119962 493017378 /nfs/dbraw/zinc/01/73/78/493017378.db2.gz SPGTWXBMMUYDGR-RBUKOAKNSA-N 2 2 358.486 0.394 10 0 FCAELP O=C(NC[C@H]1C[N@H+]2CCN1CCC2)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000646119962 493017382 /nfs/dbraw/zinc/01/73/82/493017382.db2.gz SPGTWXBMMUYDGR-RBUKOAKNSA-N 2 2 358.486 0.394 10 0 FCAELP O=C(NC[C@H]1C[NH+]2CCN1CCC2)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646119962 493017386 /nfs/dbraw/zinc/01/73/86/493017386.db2.gz SPGTWXBMMUYDGR-RBUKOAKNSA-N 2 2 358.486 0.394 10 0 FCAELP O=C(NC[C@H]1C[NH+]2CCN1CCC2)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646119962 493017390 /nfs/dbraw/zinc/01/73/90/493017390.db2.gz SPGTWXBMMUYDGR-RBUKOAKNSA-N 2 2 358.486 0.394 10 0 FCAELP CCN(C(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000658803385 493062297 /nfs/dbraw/zinc/06/22/97/493062297.db2.gz SUDIUMPXQRZHLK-MRXNPFEDSA-N 2 2 354.495 0.108 10 0 FCAELP CCN(C(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000658803385 493062300 /nfs/dbraw/zinc/06/23/00/493062300.db2.gz SUDIUMPXQRZHLK-MRXNPFEDSA-N 2 2 354.495 0.108 10 0 FCAELP [NH3+]CC1(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCOCC1 ZINC000626920715 493063549 /nfs/dbraw/zinc/06/35/49/493063549.db2.gz JWVXEBOEOSJLEP-QGZVFWFLSA-N 2 2 362.474 0.695 10 0 FCAELP [NH3+]CC1(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCOCC1 ZINC000626920715 493063552 /nfs/dbraw/zinc/06/35/52/493063552.db2.gz JWVXEBOEOSJLEP-QGZVFWFLSA-N 2 2 362.474 0.695 10 0 FCAELP CCN(C(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000658809120 493064545 /nfs/dbraw/zinc/06/45/45/493064545.db2.gz ZOVMGMSTZGUTIK-OAHLLOKOSA-N 2 2 364.515 0.945 10 0 FCAELP CCN(C(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000658809120 493064548 /nfs/dbraw/zinc/06/45/48/493064548.db2.gz ZOVMGMSTZGUTIK-OAHLLOKOSA-N 2 2 364.515 0.945 10 0 FCAELP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626946774 493069573 /nfs/dbraw/zinc/06/95/73/493069573.db2.gz ZXTBZAAMWCZRPV-ZBFHGGJFSA-N 2 2 354.520 0.778 10 0 FCAELP C[C@H]1CC[C@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[NH2+]1 ZINC000626958748 493070045 /nfs/dbraw/zinc/07/00/45/493070045.db2.gz PNMKENAZRDVGTQ-HOTGVXAUSA-N 2 2 374.489 0.560 10 0 FCAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000626951327 493070228 /nfs/dbraw/zinc/07/02/28/493070228.db2.gz SYTNFLLWJUCUAF-MAUKXSAKSA-N 2 2 362.474 0.947 10 0 FCAELP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1cccc(C(=O)Nc2ccncc2)c1 ZINC000653121328 493075039 /nfs/dbraw/zinc/07/50/39/493075039.db2.gz REQWNANKPALQQG-QGZVFWFLSA-N 2 2 355.442 0.651 10 0 FCAELP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658848135 493085204 /nfs/dbraw/zinc/08/52/04/493085204.db2.gz AURCXUVCSGAWOA-INIZCTEOSA-N 2 2 354.495 0.014 10 0 FCAELP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658848135 493085207 /nfs/dbraw/zinc/08/52/07/493085207.db2.gz AURCXUVCSGAWOA-INIZCTEOSA-N 2 2 354.495 0.014 10 0 FCAELP [NH3+]CC[C@H](NC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)C(F)F ZINC000627099477 493087437 /nfs/dbraw/zinc/08/74/37/493087437.db2.gz RWVMRRDEJDVGDR-KGLIPLIRSA-N 2 2 357.405 0.564 10 0 FCAELP [NH3+]CC[C@H](NC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)C(F)F ZINC000627099477 493087440 /nfs/dbraw/zinc/08/74/40/493087440.db2.gz RWVMRRDEJDVGDR-KGLIPLIRSA-N 2 2 357.405 0.564 10 0 FCAELP COc1ncc(Br)cc1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000627156416 493098385 /nfs/dbraw/zinc/09/83/85/493098385.db2.gz ABMGBUXHSYPFRM-LBPRGKRZSA-N 2 2 372.267 0.637 10 0 FCAELP COc1ncc(Br)cc1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000627156416 493098389 /nfs/dbraw/zinc/09/83/89/493098389.db2.gz ABMGBUXHSYPFRM-LBPRGKRZSA-N 2 2 372.267 0.637 10 0 FCAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000627166091 493099234 /nfs/dbraw/zinc/09/92/34/493099234.db2.gz PCSCNRMLLQTERI-HRCADAONSA-N 2 2 351.495 0.465 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C[C@H]1C[NH3+] ZINC000633030115 493106164 /nfs/dbraw/zinc/10/61/64/493106164.db2.gz ZPBOMXQLRUKLIC-NVXWUHKLSA-N 2 2 373.501 0.426 10 0 FCAELP [NH3+]CC1(NC(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)CCOCC1 ZINC000627225528 493110903 /nfs/dbraw/zinc/11/09/03/493110903.db2.gz YGIYHCNNZPPZIW-INIZCTEOSA-N 2 2 363.462 0.090 10 0 FCAELP [NH3+]CC1(NC(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)CCOCC1 ZINC000627225528 493110905 /nfs/dbraw/zinc/11/09/05/493110905.db2.gz YGIYHCNNZPPZIW-INIZCTEOSA-N 2 2 363.462 0.090 10 0 FCAELP O=C(C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633102353 493125887 /nfs/dbraw/zinc/12/58/87/493125887.db2.gz HCEBQRNIFSWXHE-YCPHGPKFSA-N 2 2 357.458 0.498 10 0 FCAELP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000653414445 493127228 /nfs/dbraw/zinc/12/72/28/493127228.db2.gz TUGYQTRWSNEULK-INIZCTEOSA-N 2 2 361.490 0.871 10 0 FCAELP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000653414445 493127231 /nfs/dbraw/zinc/12/72/31/493127231.db2.gz TUGYQTRWSNEULK-INIZCTEOSA-N 2 2 361.490 0.871 10 0 FCAELP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000646940398 493129656 /nfs/dbraw/zinc/12/96/56/493129656.db2.gz FLWIGURNDWJQSU-ZBFHGGJFSA-N 2 2 365.499 0.798 10 0 FCAELP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000646940398 493129658 /nfs/dbraw/zinc/12/96/58/493129658.db2.gz FLWIGURNDWJQSU-ZBFHGGJFSA-N 2 2 365.499 0.798 10 0 FCAELP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000646940397 493129767 /nfs/dbraw/zinc/12/97/67/493129767.db2.gz FLWIGURNDWJQSU-HOCLYGCPSA-N 2 2 365.499 0.798 10 0 FCAELP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000646940397 493129769 /nfs/dbraw/zinc/12/97/69/493129769.db2.gz FLWIGURNDWJQSU-HOCLYGCPSA-N 2 2 365.499 0.798 10 0 FCAELP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)N3C[C@H]([NH3+])C[C@H]3C)CC2)s1 ZINC000633116332 493132517 /nfs/dbraw/zinc/13/25/17/493132517.db2.gz RUAAXKTVODPTTK-ZIAGYGMSSA-N 2 2 364.515 0.903 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)c1 ZINC000653432641 493135779 /nfs/dbraw/zinc/13/57/79/493135779.db2.gz OYSFDPVNSGCWHU-SFHVURJKSA-N 2 2 369.469 0.464 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)c1 ZINC000653432641 493135783 /nfs/dbraw/zinc/13/57/83/493135783.db2.gz OYSFDPVNSGCWHU-SFHVURJKSA-N 2 2 369.469 0.464 10 0 FCAELP O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627293060 493136629 /nfs/dbraw/zinc/13/66/29/493136629.db2.gz KSZAVZCDQWQEKN-INIZCTEOSA-N 2 2 353.426 0.889 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@H]1c1ccc(F)c(F)c1 ZINC000627297770 493140550 /nfs/dbraw/zinc/14/05/50/493140550.db2.gz SFPGQJRLARRJKU-KCPJHIHWSA-N 2 2 352.385 0.304 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@H]1c1ccc(F)c(F)c1 ZINC000627297770 493140552 /nfs/dbraw/zinc/14/05/52/493140552.db2.gz SFPGQJRLARRJKU-KCPJHIHWSA-N 2 2 352.385 0.304 10 0 FCAELP O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627303330 493142630 /nfs/dbraw/zinc/14/26/30/493142630.db2.gz NXYKWBWGBYCKFI-HNNXBMFYSA-N 2 2 362.499 0.623 10 0 FCAELP O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627303330 493142636 /nfs/dbraw/zinc/14/26/36/493142636.db2.gz NXYKWBWGBYCKFI-HNNXBMFYSA-N 2 2 362.499 0.623 10 0 FCAELP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)NCc1ccc(N3CCCC3)[nH+]c1)C2 ZINC000627338449 493160837 /nfs/dbraw/zinc/16/08/37/493160837.db2.gz GLAKOACJUIQINH-BGYRXZFFSA-N 2 2 371.485 0.756 10 0 FCAELP CCN(CC[NH3+])C(=O)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000627344514 493164226 /nfs/dbraw/zinc/16/42/26/493164226.db2.gz INZDZRWTQYAZNZ-ZIAGYGMSSA-N 2 2 363.462 0.119 10 0 FCAELP [NH3+]CCCOCCNC(=O)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000627344699 493164397 /nfs/dbraw/zinc/16/43/97/493164397.db2.gz NRRUQQLBMDQSNC-UHFFFAOYSA-N 2 2 363.462 0.170 10 0 FCAELP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000633626365 493173355 /nfs/dbraw/zinc/17/33/55/493173355.db2.gz PCVRXBAZCALSDQ-UHFFFAOYSA-N 2 2 357.458 0.893 10 0 FCAELP CCN1C(=O)CO[C@H](C(=O)N[C@@H](C)C[N@H+](C)C(C)C)[C@H]1c1[nH+]ccn1C ZINC000627358136 493173932 /nfs/dbraw/zinc/17/39/32/493173932.db2.gz BPNNLJSRJZMFOX-BPUTZDHNSA-N 2 2 365.478 0.553 10 0 FCAELP CCN1C(=O)CO[C@H](C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)[C@H]1c1[nH+]ccn1C ZINC000627358136 493173937 /nfs/dbraw/zinc/17/39/37/493173937.db2.gz BPNNLJSRJZMFOX-BPUTZDHNSA-N 2 2 365.478 0.553 10 0 FCAELP NS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(F)c1 ZINC000647193310 493175862 /nfs/dbraw/zinc/17/58/62/493175862.db2.gz UTVCMHJHDYBNGY-SJORKVTESA-N 2 2 371.478 0.941 10 0 FCAELP NS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(F)c1 ZINC000647193309 493176483 /nfs/dbraw/zinc/17/64/83/493176483.db2.gz UTVCMHJHDYBNGY-IRXDYDNUSA-N 2 2 371.478 0.941 10 0 FCAELP CC(C)OC[C@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000659286473 493183310 /nfs/dbraw/zinc/18/33/10/493183310.db2.gz HZJTZQMNYRDCLD-KRWDZBQOSA-N 2 2 362.474 0.958 10 0 FCAELP CC(C)OC[C@H]([NH3+])C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000659288293 493185209 /nfs/dbraw/zinc/18/52/09/493185209.db2.gz VIHQZVZUMGPFPV-KRWDZBQOSA-N 2 2 362.474 0.694 10 0 FCAELP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000647298651 493192450 /nfs/dbraw/zinc/19/24/50/493192450.db2.gz PCTTWNUIXCCIKJ-LBPRGKRZSA-N 2 2 365.450 0.289 10 0 FCAELP CCN1C(=O)CO[C@H](C(=O)N[C@H](C)C[N@H+](C)C(C)C)[C@H]1c1[nH+]ccn1C ZINC000627395156 493201183 /nfs/dbraw/zinc/20/11/83/493201183.db2.gz BPNNLJSRJZMFOX-KBMXLJTQSA-N 2 2 365.478 0.553 10 0 FCAELP CCN1C(=O)CO[C@H](C(=O)N[C@H](C)C[N@@H+](C)C(C)C)[C@H]1c1[nH+]ccn1C ZINC000627395156 493201187 /nfs/dbraw/zinc/20/11/87/493201187.db2.gz BPNNLJSRJZMFOX-KBMXLJTQSA-N 2 2 365.478 0.553 10 0 FCAELP Cc1cc(NCCNC(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)nc(C(C)C)[nH+]1 ZINC000627420239 493209955 /nfs/dbraw/zinc/20/99/55/493209955.db2.gz CECVERYTAHKGIX-UONOGXRCSA-N 2 2 362.478 0.680 10 0 FCAELP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659546058 493210248 /nfs/dbraw/zinc/21/02/48/493210248.db2.gz ZZUOTSKKPBXXBD-ABHNRTSZSA-N 2 2 365.522 0.319 10 0 FCAELP O=C(NC1CCC([NH+]2CCNCC2)CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659546058 493210253 /nfs/dbraw/zinc/21/02/53/493210253.db2.gz ZZUOTSKKPBXXBD-ABHNRTSZSA-N 2 2 365.522 0.319 10 0 FCAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000659588716 493217753 /nfs/dbraw/zinc/21/77/53/493217753.db2.gz TZSCAXPVMJEFTF-SZMVWBNQSA-N 3 2 361.490 0.425 10 0 FCAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000659588716 493217758 /nfs/dbraw/zinc/21/77/58/493217758.db2.gz TZSCAXPVMJEFTF-SZMVWBNQSA-N 3 2 361.490 0.425 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCCSCC3)C2)CC1 ZINC000672637701 493220422 /nfs/dbraw/zinc/22/04/22/493220422.db2.gz NDGYYDQZAOQHMR-AWEZNQCLSA-N 2 2 354.520 0.237 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCCSCC3)C2)CC1 ZINC000672637701 493220425 /nfs/dbraw/zinc/22/04/25/493220425.db2.gz NDGYYDQZAOQHMR-AWEZNQCLSA-N 2 2 354.520 0.237 10 0 FCAELP CC(C)C[C@H](CO)N(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641639 493226897 /nfs/dbraw/zinc/22/68/97/493226897.db2.gz VIVMTILLGSIHAH-DOTOQJQBSA-N 2 2 368.522 0.137 10 0 FCAELP CC(C)C[C@H](CO)N(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641639 493226899 /nfs/dbraw/zinc/22/68/99/493226899.db2.gz VIVMTILLGSIHAH-DOTOQJQBSA-N 2 2 368.522 0.137 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666978844 493245740 /nfs/dbraw/zinc/24/57/40/493245740.db2.gz GYXRTXFDSPIHNY-KRWDZBQOSA-N 3 2 355.527 0.422 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666978844 493245744 /nfs/dbraw/zinc/24/57/44/493245744.db2.gz GYXRTXFDSPIHNY-KRWDZBQOSA-N 3 2 355.527 0.422 10 0 FCAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659677139 493246408 /nfs/dbraw/zinc/24/64/08/493246408.db2.gz JXOVFDOMSQZOOP-ZIAGYGMSSA-N 2 2 361.421 0.749 10 0 FCAELP [NH3+][C@@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC[C@H]1F ZINC000659679474 493247621 /nfs/dbraw/zinc/24/76/21/493247621.db2.gz YEUOLOVNPHVZAF-CHWSQXEVSA-N 2 2 354.451 0.120 10 0 FCAELP [NH3+][C@@H]1CN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC[C@H]1F ZINC000659679474 493247625 /nfs/dbraw/zinc/24/76/25/493247625.db2.gz YEUOLOVNPHVZAF-CHWSQXEVSA-N 2 2 354.451 0.120 10 0 FCAELP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000659682916 493250177 /nfs/dbraw/zinc/25/01/77/493250177.db2.gz JOMZKYWCOYFLCP-OAHLLOKOSA-N 2 2 363.462 0.024 10 0 FCAELP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000659685192 493252034 /nfs/dbraw/zinc/25/20/34/493252034.db2.gz OIOVFORVAGUPFL-OAGGEKHMSA-N 2 2 372.485 0.137 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659698497 493259508 /nfs/dbraw/zinc/25/95/08/493259508.db2.gz OLFNOLDCBPGSCF-WBVHZDCISA-N 2 2 366.506 0.062 10 0 FCAELP Cc1ccc(CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c(N2CCCC2)[nH+]1 ZINC000659703254 493261949 /nfs/dbraw/zinc/26/19/49/493261949.db2.gz YYPRAEDRSFOHPS-HUUCEWRRSA-N 2 2 363.437 0.504 10 0 FCAELP CC(C)C[C@H](NC(=O)N[C@@H](C)c1[nH+]ccn1C)C(=O)NCC[NH+](C)C ZINC000667252107 493269253 /nfs/dbraw/zinc/26/92/53/493269253.db2.gz AULCJMOWQPJRSN-KBPBESRZSA-N 2 2 352.483 0.873 10 0 FCAELP [NH3+]C1(CNC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CCCC1 ZINC000659733468 493277873 /nfs/dbraw/zinc/27/78/73/493277873.db2.gz FLJORAJAUATNRH-HNNXBMFYSA-N 2 2 352.479 0.087 10 0 FCAELP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659740685 493280940 /nfs/dbraw/zinc/28/09/40/493280940.db2.gz FDJSSGYJTMRKFY-IAGOWNOFSA-N 3 2 367.538 0.103 10 0 FCAELP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659740685 493280944 /nfs/dbraw/zinc/28/09/44/493280944.db2.gz FDJSSGYJTMRKFY-IAGOWNOFSA-N 3 2 367.538 0.103 10 0 FCAELP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659743485 493282723 /nfs/dbraw/zinc/28/27/23/493282723.db2.gz NPQZJRACJFAJGY-VNSJNIRKSA-N 2 2 362.499 0.822 10 0 FCAELP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000659745945 493283041 /nfs/dbraw/zinc/28/30/41/493283041.db2.gz WPERQCVMZIQRBO-UHFFFAOYSA-N 2 2 374.460 0.728 10 0 FCAELP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000659745945 493283044 /nfs/dbraw/zinc/28/30/44/493283044.db2.gz WPERQCVMZIQRBO-UHFFFAOYSA-N 2 2 374.460 0.728 10 0 FCAELP CCc1noc(C)c1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682270258 493284987 /nfs/dbraw/zinc/28/49/87/493284987.db2.gz VEKUFBHXVPEQLH-CYBMUJFWSA-N 2 2 363.462 0.769 10 0 FCAELP CCc1noc(C)c1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682270258 493284989 /nfs/dbraw/zinc/28/49/89/493284989.db2.gz VEKUFBHXVPEQLH-CYBMUJFWSA-N 2 2 363.462 0.769 10 0 FCAELP CN(C)C(=O)C[NH+]1CCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000667934030 493309483 /nfs/dbraw/zinc/30/94/83/493309483.db2.gz BEIBFFPYROZTMP-UHFFFAOYSA-N 2 2 358.486 0.667 10 0 FCAELP CN(C)C(=O)C[NH+]1CCN(C(=O)CC[N@H+]2CCc3ccccc3C2)CC1 ZINC000667934030 493309486 /nfs/dbraw/zinc/30/94/86/493309486.db2.gz BEIBFFPYROZTMP-UHFFFAOYSA-N 2 2 358.486 0.667 10 0 FCAELP CN1CC(=O)N(CC[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)C1=O ZINC000659991256 493312237 /nfs/dbraw/zinc/31/22/37/493312237.db2.gz MUWIEYNOOSYIKI-UHFFFAOYSA-N 2 2 359.474 0.914 10 0 FCAELP CN1CC(=O)N(CC[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)C1=O ZINC000659991256 493312240 /nfs/dbraw/zinc/31/22/40/493312240.db2.gz MUWIEYNOOSYIKI-UHFFFAOYSA-N 2 2 359.474 0.914 10 0 FCAELP CN(C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000673300988 493315079 /nfs/dbraw/zinc/31/50/79/493315079.db2.gz RXBNNGGYZSQRIN-HOCLYGCPSA-N 2 2 357.458 0.472 10 0 FCAELP CN(C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000673300988 493315080 /nfs/dbraw/zinc/31/50/80/493315080.db2.gz RXBNNGGYZSQRIN-HOCLYGCPSA-N 2 2 357.458 0.472 10 0 FCAELP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000668542547 493373360 /nfs/dbraw/zinc/37/33/60/493373360.db2.gz NSIAHDQAVDQYPM-INIZCTEOSA-N 2 2 359.474 0.767 10 0 FCAELP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000668542547 493373362 /nfs/dbraw/zinc/37/33/62/493373362.db2.gz NSIAHDQAVDQYPM-INIZCTEOSA-N 2 2 359.474 0.767 10 0 FCAELP C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1[nH+]ccn1C ZINC000660852871 493386621 /nfs/dbraw/zinc/38/66/21/493386621.db2.gz KAKRPCUXNJQOBC-UONOGXRCSA-N 2 2 350.467 0.723 10 0 FCAELP C[C@H](NC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1[nH+]ccn1C ZINC000660852871 493386624 /nfs/dbraw/zinc/38/66/24/493386624.db2.gz KAKRPCUXNJQOBC-UONOGXRCSA-N 2 2 350.467 0.723 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000660861466 493388168 /nfs/dbraw/zinc/38/81/68/493388168.db2.gz NEYIORYGZNKETE-HXUWFJFHSA-N 2 2 371.485 0.593 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000660861466 493388169 /nfs/dbraw/zinc/38/81/69/493388169.db2.gz NEYIORYGZNKETE-HXUWFJFHSA-N 2 2 371.485 0.593 10 0 FCAELP CCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1 ZINC000661011953 493402066 /nfs/dbraw/zinc/40/20/66/493402066.db2.gz LTRKHTYKNYKSRI-HUUCEWRRSA-N 2 2 362.478 0.695 10 0 FCAELP CCC[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1 ZINC000661011953 493402067 /nfs/dbraw/zinc/40/20/67/493402067.db2.gz LTRKHTYKNYKSRI-HUUCEWRRSA-N 2 2 362.478 0.695 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+]C2(C(N)=O)CCOCC2)CC1 ZINC000661594078 493448900 /nfs/dbraw/zinc/44/89/00/493448900.db2.gz HCFQKVABVDJCCA-INIZCTEOSA-N 2 2 374.485 0.516 10 0 FCAELP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@@]4(O)C[C@H]4C3)CC2)cc1 ZINC000661719308 493461676 /nfs/dbraw/zinc/46/16/76/493461676.db2.gz QBRKDGKIMFNVOJ-FXAWDEMLSA-N 2 2 359.470 0.796 10 0 FCAELP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@@]4(O)C[C@H]4C3)CC2)cc1 ZINC000661719308 493461677 /nfs/dbraw/zinc/46/16/77/493461677.db2.gz QBRKDGKIMFNVOJ-FXAWDEMLSA-N 2 2 359.470 0.796 10 0 FCAELP O[C@H](COc1ccc2c(c1)OCO2)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662159311 493494156 /nfs/dbraw/zinc/49/41/56/493494156.db2.gz XPJKKAIWAGSBNO-CVEARBPZSA-N 2 2 364.442 0.686 10 0 FCAELP O[C@H](COc1ccc2c(c1)OCO2)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662159311 493494158 /nfs/dbraw/zinc/49/41/58/493494158.db2.gz XPJKKAIWAGSBNO-CVEARBPZSA-N 2 2 364.442 0.686 10 0 FCAELP O=S(=O)(c1ccc(F)cc1)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662250069 493500018 /nfs/dbraw/zinc/50/00/18/493500018.db2.gz XFGWYJXRGGSULS-HNNXBMFYSA-N 2 2 369.462 0.653 10 0 FCAELP Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000662255281 493500651 /nfs/dbraw/zinc/50/06/51/493500651.db2.gz BTHQNKWFYWDLPO-IRXDYDNUSA-N 2 2 367.515 0.974 10 0 FCAELP Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000662255281 493500653 /nfs/dbraw/zinc/50/06/53/493500653.db2.gz BTHQNKWFYWDLPO-IRXDYDNUSA-N 2 2 367.515 0.974 10 0 FCAELP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@H]1C[NH2+]CCC1(F)F ZINC000669405416 493502345 /nfs/dbraw/zinc/50/23/45/493502345.db2.gz CZHPXUQNYMHQOQ-GXTWGEPZSA-N 2 2 364.462 0.491 10 0 FCAELP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000662323908 493506044 /nfs/dbraw/zinc/50/60/44/493506044.db2.gz UGOYDMPQFXYSCU-DOTOQJQBSA-N 2 2 354.495 0.108 10 0 FCAELP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000662323908 493506045 /nfs/dbraw/zinc/50/60/45/493506045.db2.gz UGOYDMPQFXYSCU-DOTOQJQBSA-N 2 2 354.495 0.108 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[NH2+]C[C@H]3c3cccnc3)C2)CC1 ZINC000669484118 493506330 /nfs/dbraw/zinc/50/63/30/493506330.db2.gz CAVAAHOZVQPWQV-HKUYNNGSSA-N 3 2 372.517 0.906 10 0 FCAELP CN(C)c1noc(C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000662336748 493507588 /nfs/dbraw/zinc/50/75/88/493507588.db2.gz GJPAWWQDDRGJPL-CYBMUJFWSA-N 2 2 360.466 0.648 10 0 FCAELP CN(C)c1noc(C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000662336748 493507591 /nfs/dbraw/zinc/50/75/91/493507591.db2.gz GJPAWWQDDRGJPL-CYBMUJFWSA-N 2 2 360.466 0.648 10 0 FCAELP CC(C)OC[C@H]([NH3+])C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000662411620 493514181 /nfs/dbraw/zinc/51/41/81/493514181.db2.gz DQSCLBVJUPFZGO-SFHVURJKSA-N 2 2 365.474 0.766 10 0 FCAELP COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C1 ZINC000669633482 493516596 /nfs/dbraw/zinc/51/65/96/493516596.db2.gz BSTHRXINPANGAL-MRXNPFEDSA-N 2 2 364.471 0.930 10 0 FCAELP COCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C1 ZINC000669633482 493516598 /nfs/dbraw/zinc/51/65/98/493516598.db2.gz BSTHRXINPANGAL-MRXNPFEDSA-N 2 2 364.471 0.930 10 0 FCAELP [NH3+]C[C@@H]1CCCc2ccc(C(=O)NCC(=O)NCC[NH+]3CCOCC3)cc21 ZINC000662527110 493523487 /nfs/dbraw/zinc/52/34/87/493523487.db2.gz QEGAJAVQOXOHGC-KRWDZBQOSA-N 2 2 374.485 0.243 10 0 FCAELP CC(C)([NH3+])c1cc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)on1 ZINC000662696222 493532431 /nfs/dbraw/zinc/53/24/31/493532431.db2.gz WPESYRNYCYBGBT-INIZCTEOSA-N 2 2 354.476 0.806 10 0 FCAELP CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCOCC3)CC2)CC1 ZINC000669909650 493533131 /nfs/dbraw/zinc/53/31/31/493533131.db2.gz ZUTJFUAMLXRLKK-CALCHBBNSA-N 2 2 352.523 0.772 10 0 FCAELP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)COC2CC[NH2+]CC2)C1 ZINC000662741769 493535922 /nfs/dbraw/zinc/53/59/22/493535922.db2.gz IFEYHXDGTIIUFU-GOSISDBHSA-N 2 2 360.502 0.687 10 0 FCAELP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)COC2CC[NH2+]CC2)C1 ZINC000662741769 493535924 /nfs/dbraw/zinc/53/59/24/493535924.db2.gz IFEYHXDGTIIUFU-GOSISDBHSA-N 2 2 360.502 0.687 10 0 FCAELP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662942660 493558225 /nfs/dbraw/zinc/55/82/25/493558225.db2.gz YRTOOGIUYHXGGI-MGPQQGTHSA-N 2 2 351.426 0.854 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC[N@@H+]1Cc1ccccc1 ZINC000662945627 493558811 /nfs/dbraw/zinc/55/88/11/493558811.db2.gz GDCGBKDLNGVKRH-XRTORIHISA-N 2 2 356.470 0.669 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC[N@H+]1Cc1ccccc1 ZINC000662945627 493558813 /nfs/dbraw/zinc/55/88/13/493558813.db2.gz GDCGBKDLNGVKRH-XRTORIHISA-N 2 2 356.470 0.669 10 0 FCAELP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NC[C@@H]1C[NH+]2CCN1CCC2 ZINC000670408969 493562608 /nfs/dbraw/zinc/56/26/08/493562608.db2.gz AXWSXGDMVWHPPY-WOJBJXKFSA-N 2 2 372.513 0.784 10 0 FCAELP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NC[C@@H]1C[NH+]2CCN1CCC2 ZINC000670408969 493562610 /nfs/dbraw/zinc/56/26/10/493562610.db2.gz AXWSXGDMVWHPPY-WOJBJXKFSA-N 2 2 372.513 0.784 10 0 FCAELP O=C(C[C@@H]1C[NH+](Cc2ccccc2)CCO1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000670408969 493562612 /nfs/dbraw/zinc/56/26/12/493562612.db2.gz AXWSXGDMVWHPPY-WOJBJXKFSA-N 2 2 372.513 0.784 10 0 FCAELP O=C(C[C@@H]1C[NH+](Cc2ccccc2)CCO1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000670408969 493562614 /nfs/dbraw/zinc/56/26/14/493562614.db2.gz AXWSXGDMVWHPPY-WOJBJXKFSA-N 2 2 372.513 0.784 10 0 FCAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000676634137 493563561 /nfs/dbraw/zinc/56/35/61/493563561.db2.gz SVACTAXDVZJYMS-MSOLQXFVSA-N 2 2 369.531 0.741 10 0 FCAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000676634137 493563564 /nfs/dbraw/zinc/56/35/64/493563564.db2.gz SVACTAXDVZJYMS-MSOLQXFVSA-N 2 2 369.531 0.741 10 0 FCAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000676634137 493563566 /nfs/dbraw/zinc/56/35/66/493563566.db2.gz SVACTAXDVZJYMS-MSOLQXFVSA-N 2 2 369.531 0.741 10 0 FCAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000676634137 493563568 /nfs/dbraw/zinc/56/35/68/493563568.db2.gz SVACTAXDVZJYMS-MSOLQXFVSA-N 2 2 369.531 0.741 10 0 FCAELP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C[C@@H]1Cc1ccccc1 ZINC000662989210 493564982 /nfs/dbraw/zinc/56/49/82/493564982.db2.gz BTVZZZVOFZDISD-GVDBMIGSSA-N 2 2 362.449 0.269 10 0 FCAELP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C[C@@H]1Cc1ccccc1 ZINC000662989210 493564983 /nfs/dbraw/zinc/56/49/83/493564983.db2.gz BTVZZZVOFZDISD-GVDBMIGSSA-N 2 2 362.449 0.269 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000670629190 493581799 /nfs/dbraw/zinc/58/17/99/493581799.db2.gz LEQULNGKYDPFMZ-QGZVFWFLSA-N 2 2 367.453 0.924 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000670629190 493581801 /nfs/dbraw/zinc/58/18/01/493581801.db2.gz LEQULNGKYDPFMZ-QGZVFWFLSA-N 2 2 367.453 0.924 10 0 FCAELP O=C(NCCCC[NH+]1CCOCC1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000663655713 493609941 /nfs/dbraw/zinc/60/99/41/493609941.db2.gz WROMKLKRGIXKIU-UHFFFAOYSA-N 2 2 368.522 0.853 10 0 FCAELP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000664026394 493631137 /nfs/dbraw/zinc/63/11/37/493631137.db2.gz MKNQQDRMROPLHO-DLBZAZTESA-N 2 2 355.527 0.375 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc[nH+]1 ZINC000671108469 493636674 /nfs/dbraw/zinc/63/66/74/493636674.db2.gz YZWTUMJLOFNVLN-HOTGVXAUSA-N 2 2 372.473 0.177 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc[nH+]1 ZINC000671108469 493636675 /nfs/dbraw/zinc/63/66/75/493636675.db2.gz YZWTUMJLOFNVLN-HOTGVXAUSA-N 2 2 372.473 0.177 10 0 FCAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000671117154 493638201 /nfs/dbraw/zinc/63/82/01/493638201.db2.gz CHZVMROIAMHIIQ-WBVHZDCISA-N 2 2 371.485 0.862 10 0 FCAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000671117154 493638203 /nfs/dbraw/zinc/63/82/03/493638203.db2.gz CHZVMROIAMHIIQ-WBVHZDCISA-N 2 2 371.485 0.862 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000664384042 493656703 /nfs/dbraw/zinc/65/67/03/493656703.db2.gz AKBDQUKJGDTUGQ-HNNXBMFYSA-N 2 2 366.485 0.982 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000664384042 493656704 /nfs/dbraw/zinc/65/67/04/493656704.db2.gz AKBDQUKJGDTUGQ-HNNXBMFYSA-N 2 2 366.485 0.982 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000664384052 493656824 /nfs/dbraw/zinc/65/68/24/493656824.db2.gz AKBDQUKJGDTUGQ-OAHLLOKOSA-N 2 2 366.485 0.982 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000664384052 493656825 /nfs/dbraw/zinc/65/68/25/493656825.db2.gz AKBDQUKJGDTUGQ-OAHLLOKOSA-N 2 2 366.485 0.982 10 0 FCAELP CO[C@@H]1CCC[C@@H]([C@@H](CO)NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000664537867 493666809 /nfs/dbraw/zinc/66/68/09/493666809.db2.gz RSRSFTNTPBBNLK-KBAYOESNSA-N 2 2 370.538 0.878 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)CC2 ZINC000679890807 493699790 /nfs/dbraw/zinc/69/97/90/493699790.db2.gz ZGEAPGRVCMFTKP-OAHLLOKOSA-N 2 2 362.478 0.659 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)CC2 ZINC000679890807 493699792 /nfs/dbraw/zinc/69/97/92/493699792.db2.gz ZGEAPGRVCMFTKP-OAHLLOKOSA-N 2 2 362.478 0.659 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](Nc2nc(N3CCOCC3)cc[nH+]2)C1=O ZINC000679931808 493701935 /nfs/dbraw/zinc/70/19/35/493701935.db2.gz CTHCGGYJINVAIF-AWEZNQCLSA-N 2 2 371.445 0.650 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1nc([C@@H]2CCCO2)n[nH]1 ZINC000665251940 493707132 /nfs/dbraw/zinc/70/71/32/493707132.db2.gz CEARDXJKZDLXQD-KBPBESRZSA-N 2 2 367.498 0.727 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1nc([C@@H]2CCCO2)n[nH]1 ZINC000665251940 493707133 /nfs/dbraw/zinc/70/71/33/493707133.db2.gz CEARDXJKZDLXQD-KBPBESRZSA-N 2 2 367.498 0.727 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000665251940 493707135 /nfs/dbraw/zinc/70/71/35/493707135.db2.gz CEARDXJKZDLXQD-KBPBESRZSA-N 2 2 367.498 0.727 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000665251940 493707136 /nfs/dbraw/zinc/70/71/36/493707136.db2.gz CEARDXJKZDLXQD-KBPBESRZSA-N 2 2 367.498 0.727 10 0 FCAELP CO[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCOC1 ZINC000665477848 493717335 /nfs/dbraw/zinc/71/73/35/493717335.db2.gz QSSPPALHVNFMFM-BPQIPLTHSA-N 2 2 368.522 0.848 10 0 FCAELP CO[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCOC1 ZINC000665477848 493717336 /nfs/dbraw/zinc/71/73/36/493717336.db2.gz QSSPPALHVNFMFM-BPQIPLTHSA-N 2 2 368.522 0.848 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3cscn3)C2)CC1 ZINC000671958787 493718159 /nfs/dbraw/zinc/71/81/59/493718159.db2.gz XUGYTSMLNZMTQE-LBPRGKRZSA-N 2 2 351.476 0.044 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3cscn3)C2)CC1 ZINC000671958787 493718160 /nfs/dbraw/zinc/71/81/60/493718160.db2.gz XUGYTSMLNZMTQE-LBPRGKRZSA-N 2 2 351.476 0.044 10 0 FCAELP CO[C@@H](CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000665483489 493718189 /nfs/dbraw/zinc/71/81/89/493718189.db2.gz YCTDZSNQLBKYID-WBVHZDCISA-N 2 2 356.511 0.705 10 0 FCAELP CO[C@@H](CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000665483489 493718190 /nfs/dbraw/zinc/71/81/90/493718190.db2.gz YCTDZSNQLBKYID-WBVHZDCISA-N 2 2 356.511 0.705 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665762496 493734208 /nfs/dbraw/zinc/73/42/08/493734208.db2.gz GMRGSKVAZYEUEX-DLBZAZTESA-N 2 2 357.543 0.621 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665762496 493734209 /nfs/dbraw/zinc/73/42/09/493734209.db2.gz GMRGSKVAZYEUEX-DLBZAZTESA-N 2 2 357.543 0.621 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000665762655 493735163 /nfs/dbraw/zinc/73/51/63/493735163.db2.gz LSUYQLUTSSHTSW-INIZCTEOSA-N 3 2 357.543 0.357 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000665762655 493735166 /nfs/dbraw/zinc/73/51/66/493735166.db2.gz LSUYQLUTSSHTSW-INIZCTEOSA-N 3 2 357.543 0.357 10 0 FCAELP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000665762655 493735168 /nfs/dbraw/zinc/73/51/68/493735168.db2.gz LSUYQLUTSSHTSW-INIZCTEOSA-N 3 2 357.543 0.357 10 0 FCAELP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000665762655 493735171 /nfs/dbraw/zinc/73/51/71/493735171.db2.gz LSUYQLUTSSHTSW-INIZCTEOSA-N 3 2 357.543 0.357 10 0 FCAELP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000672164641 493739260 /nfs/dbraw/zinc/73/92/60/493739260.db2.gz XMXYBECRXODGCZ-FUHWJXTLSA-N 2 2 374.485 0.516 10 0 FCAELP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000672164641 493739262 /nfs/dbraw/zinc/73/92/62/493739262.db2.gz XMXYBECRXODGCZ-FUHWJXTLSA-N 2 2 374.485 0.516 10 0 FCAELP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000672164641 493739265 /nfs/dbraw/zinc/73/92/65/493739265.db2.gz XMXYBECRXODGCZ-FUHWJXTLSA-N 2 2 374.485 0.516 10 0 FCAELP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000672164641 493739266 /nfs/dbraw/zinc/73/92/66/493739266.db2.gz XMXYBECRXODGCZ-FUHWJXTLSA-N 2 2 374.485 0.516 10 0 FCAELP C[C@@H](Nc1cncc(N[C@@H](C)[C@@H]2C[NH+](C)CCO2)n1)[C@H]1C[N@H+](C)CCO1 ZINC000672240338 493745101 /nfs/dbraw/zinc/74/51/01/493745101.db2.gz QOWPCEFJVHCRJC-GEEKYZPCSA-N 2 2 364.494 0.739 10 0 FCAELP C[C@@H](Nc1cncc(N[C@@H](C)[C@@H]2C[NH+](C)CCO2)n1)[C@H]1C[N@@H+](C)CCO1 ZINC000672240338 493745103 /nfs/dbraw/zinc/74/51/03/493745103.db2.gz QOWPCEFJVHCRJC-GEEKYZPCSA-N 2 2 364.494 0.739 10 0 FCAELP C[C@@H](Nc1cncc(N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)n1)[C@H]1C[NH+](C)CCO1 ZINC000672240338 493745104 /nfs/dbraw/zinc/74/51/04/493745104.db2.gz QOWPCEFJVHCRJC-GEEKYZPCSA-N 2 2 364.494 0.739 10 0 FCAELP C[C@@H](Nc1cncc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)n1)[C@H]1C[NH+](C)CCO1 ZINC000672240338 493745108 /nfs/dbraw/zinc/74/51/08/493745108.db2.gz QOWPCEFJVHCRJC-GEEKYZPCSA-N 2 2 364.494 0.739 10 0 FCAELP C[C@H](O)C[NH+]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000189697523 534080009 /nfs/dbraw/zinc/08/00/09/534080009.db2.gz XVEDXHMPKRVHEB-SFHVURJKSA-N 2 2 360.502 0.329 10 0 FCAELP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000410731443 527956893 /nfs/dbraw/zinc/95/68/93/527956893.db2.gz GRJAETJILAUCOR-IAGOWNOFSA-N 2 2 368.522 0.497 10 0 FCAELP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000410731443 527956898 /nfs/dbraw/zinc/95/68/98/527956898.db2.gz GRJAETJILAUCOR-IAGOWNOFSA-N 2 2 368.522 0.497 10 0 FCAELP CC(C)C[C@H](CO)N(C)C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000410871346 528534536 /nfs/dbraw/zinc/53/45/36/528534536.db2.gz QXQQYTHFWJOKJK-QGZVFWFLSA-N 2 2 370.538 0.336 10 0 FCAELP CC(C)C[C@H](CO)N(C)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000410871346 528534541 /nfs/dbraw/zinc/53/45/41/528534541.db2.gz QXQQYTHFWJOKJK-QGZVFWFLSA-N 2 2 370.538 0.336 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000410789676 528730081 /nfs/dbraw/zinc/73/00/81/528730081.db2.gz HVFOGHUYEOUQIF-DLBZAZTESA-N 2 2 368.522 0.356 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000410789676 528730086 /nfs/dbraw/zinc/73/00/86/528730086.db2.gz HVFOGHUYEOUQIF-DLBZAZTESA-N 2 2 368.522 0.356 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000410789679 528731872 /nfs/dbraw/zinc/73/18/72/528731872.db2.gz HVFOGHUYEOUQIF-SJORKVTESA-N 2 2 368.522 0.356 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000410789679 528731876 /nfs/dbraw/zinc/73/18/76/528731876.db2.gz HVFOGHUYEOUQIF-SJORKVTESA-N 2 2 368.522 0.356 10 0 FCAELP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC000410774104 529351313 /nfs/dbraw/zinc/35/13/13/529351313.db2.gz FJCLCNUZKXUTQF-OAHLLOKOSA-N 2 2 374.489 0.376 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@@H](C)[NH+](CCO)C[C@@H]2C)C1 ZINC000419409038 535119842 /nfs/dbraw/zinc/11/98/42/535119842.db2.gz YNAQTXOTSLAARK-IXDOHACOSA-N 2 2 356.511 0.440 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2C[C@@H](C)[NH+](CCO)C[C@@H]2C)C1 ZINC000419409038 535119850 /nfs/dbraw/zinc/11/98/50/535119850.db2.gz YNAQTXOTSLAARK-IXDOHACOSA-N 2 2 356.511 0.440 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)C1 ZINC000419409038 535119854 /nfs/dbraw/zinc/11/98/54/535119854.db2.gz YNAQTXOTSLAARK-IXDOHACOSA-N 2 2 356.511 0.440 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)C1 ZINC000419409038 535119857 /nfs/dbraw/zinc/11/98/57/535119857.db2.gz YNAQTXOTSLAARK-IXDOHACOSA-N 2 2 356.511 0.440 10 0 FCAELP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CC1 ZINC000423690705 535559234 /nfs/dbraw/zinc/55/92/34/535559234.db2.gz YUHZXHXNJLLONJ-WBVHZDCISA-N 2 2 359.474 0.497 10 0 FCAELP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@H](C[NH3+])C3)CC2)s1 ZINC000423245445 546914086 /nfs/dbraw/zinc/91/40/86/546914086.db2.gz IXKHZXBTWXCWFN-CQSZACIVSA-N 2 2 364.515 0.762 10 0 FCAELP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000550837197 547110624 /nfs/dbraw/zinc/11/06/24/547110624.db2.gz YENIEMFSBCSSPD-QGZVFWFLSA-N 2 2 367.519 0.709 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)n1 ZINC000924781331 665978884 /nfs/dbraw/zinc/97/88/84/665978884.db2.gz CZCNSLRMEDRDDF-AWEZNQCLSA-N 2 2 355.508 0.851 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)NC[C@@H]2CCC[N@H+]2CCCO)n1 ZINC000924781331 665978886 /nfs/dbraw/zinc/97/88/86/665978886.db2.gz CZCNSLRMEDRDDF-AWEZNQCLSA-N 2 2 355.508 0.851 10 0 FCAELP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935942759 664108525 /nfs/dbraw/zinc/10/85/25/664108525.db2.gz WQXLQKUUVQQYNU-FJIDUMEYSA-N 2 2 351.491 0.951 10 0 FCAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CNCCS2(=O)=O)[C@@H](C)C1 ZINC000925794234 664816651 /nfs/dbraw/zinc/81/66/51/664816651.db2.gz LWJCNMHHNJGYAD-BBWFWOEESA-N 2 2 361.552 0.490 10 0 FCAELP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CNCCS2(=O)=O)[C@@H](C)C1 ZINC000925794234 664816653 /nfs/dbraw/zinc/81/66/53/664816653.db2.gz LWJCNMHHNJGYAD-BBWFWOEESA-N 2 2 361.552 0.490 10 0 FCAELP COC(=O)/C(C)=C\CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000925019484 664958603 /nfs/dbraw/zinc/95/86/03/664958603.db2.gz MHKWZLNTDCRXPH-ZVRDQUNJSA-N 2 2 352.479 0.916 10 0 FCAELP COC(=O)/C(C)=C\CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000925019484 664958605 /nfs/dbraw/zinc/95/86/05/664958605.db2.gz MHKWZLNTDCRXPH-ZVRDQUNJSA-N 2 2 352.479 0.916 10 0 FCAELP [NH3+][C@@H](CCNS(=O)(=O)CCC[NH+]1CCOCC1)Cc1ccccc1 ZINC000905358420 666018775 /nfs/dbraw/zinc/01/87/75/666018775.db2.gz FCJOIHRJHQGIIY-KRWDZBQOSA-N 2 2 355.504 0.588 10 0 FCAELP CN1CCN(c2cc(N3CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C3)nc[nH+]2)CC1=O ZINC000905723188 666036599 /nfs/dbraw/zinc/03/65/99/666036599.db2.gz PZCUUZHRBXIPGQ-MNOVXSKESA-N 2 2 358.368 0.471 10 0 FCAELP C[NH+]1CCC(CNC(=O)CC2(O)CCOCC2)([NH+]2CCCCC2)CC1 ZINC000906823132 666072879 /nfs/dbraw/zinc/07/28/79/666072879.db2.gz KTSYEFMJURXRPO-UHFFFAOYSA-N 2 2 353.507 0.985 10 0 FCAELP C/C(=C/C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)C[NH+]1CCOCC1 ZINC000907988520 666172906 /nfs/dbraw/zinc/17/29/06/666172906.db2.gz BUGWQTJDWOARMT-RZPKCTKSSA-N 2 2 351.491 0.978 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCOC1CCOCC1 ZINC000927500578 666222898 /nfs/dbraw/zinc/22/28/98/666222898.db2.gz PMAHYPBPUAZEMP-UHFFFAOYSA-N 2 2 356.511 0.849 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCOC1CCOCC1 ZINC000927500578 666222900 /nfs/dbraw/zinc/22/29/00/666222900.db2.gz PMAHYPBPUAZEMP-UHFFFAOYSA-N 2 2 356.511 0.849 10 0 FCAELP CC(C)N1CC[NH+](CCCC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)CC1 ZINC000910932145 666293737 /nfs/dbraw/zinc/29/37/37/666293737.db2.gz WBKSJABODJPLJO-MSOLQXFVSA-N 2 2 354.539 0.706 10 0 FCAELP CC(C)N1CC[NH+](CCCC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)CC1 ZINC000910932145 666293741 /nfs/dbraw/zinc/29/37/41/666293741.db2.gz WBKSJABODJPLJO-MSOLQXFVSA-N 2 2 354.539 0.706 10 0 FCAELP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2C[C@H](C)[NH+](CCO)C[C@@H]2C)C1 ZINC000910925034 666297025 /nfs/dbraw/zinc/29/70/25/666297025.db2.gz GLINZZSHDFORPJ-HRCADAONSA-N 2 2 355.479 0.175 10 0 FCAELP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2C[C@H](C)[NH+](CCO)C[C@@H]2C)C1 ZINC000910925034 666297026 /nfs/dbraw/zinc/29/70/26/666297026.db2.gz GLINZZSHDFORPJ-HRCADAONSA-N 2 2 355.479 0.175 10 0 FCAELP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)C1 ZINC000910925034 666297028 /nfs/dbraw/zinc/29/70/28/666297028.db2.gz GLINZZSHDFORPJ-HRCADAONSA-N 2 2 355.479 0.175 10 0 FCAELP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)C1 ZINC000910925034 666297030 /nfs/dbraw/zinc/29/70/30/666297030.db2.gz GLINZZSHDFORPJ-HRCADAONSA-N 2 2 355.479 0.175 10 0 FCAELP C/C(=C/C(=O)N1CCC(CO)([NH2+]CC(C)C)CC1)C[NH+]1CCOCC1 ZINC000912584370 666459078 /nfs/dbraw/zinc/45/90/78/666459078.db2.gz MWBAHFLGIBGMNX-ATVHPVEESA-N 2 2 353.507 0.864 10 0 FCAELP CC(C)(CNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)[NH+]1CCOCC1 ZINC000913876437 666661220 /nfs/dbraw/zinc/66/12/20/666661220.db2.gz AILLNGDYMWTKAH-HUUCEWRRSA-N 2 2 356.536 0.976 10 0 FCAELP CC(C)(CNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12)[NH+]1CCOCC1 ZINC000913876437 666661222 /nfs/dbraw/zinc/66/12/22/666661222.db2.gz AILLNGDYMWTKAH-HUUCEWRRSA-N 2 2 356.536 0.976 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)C1 ZINC000913909475 666667265 /nfs/dbraw/zinc/66/72/65/666667265.db2.gz BTNXLEKMJCNOJC-IRXDYDNUSA-N 2 2 359.536 0.749 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)C1 ZINC000913909475 666667268 /nfs/dbraw/zinc/66/72/68/666667268.db2.gz BTNXLEKMJCNOJC-IRXDYDNUSA-N 2 2 359.536 0.749 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNS(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC000913909475 666667273 /nfs/dbraw/zinc/66/72/73/666667273.db2.gz BTNXLEKMJCNOJC-IRXDYDNUSA-N 2 2 359.536 0.749 10 0 FCAELP CCOC(=O)N1CCN(C(=O)C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)CC1 ZINC000174773929 666765651 /nfs/dbraw/zinc/76/56/51/666765651.db2.gz ZFWMXMVVVYFFBK-HZPDHXFCSA-N 2 2 354.495 0.949 10 0 FCAELP CCOC(=O)N1CCN(C(=O)C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)CC1 ZINC000174773929 666765654 /nfs/dbraw/zinc/76/56/54/666765654.db2.gz ZFWMXMVVVYFFBK-HZPDHXFCSA-N 2 2 354.495 0.949 10 0 FCAELP CCOC(=O)N1CCN(C(=O)C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000174773929 666765656 /nfs/dbraw/zinc/76/56/56/666765656.db2.gz ZFWMXMVVVYFFBK-HZPDHXFCSA-N 2 2 354.495 0.949 10 0 FCAELP CCOC(=O)N1CCN(C(=O)C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000174773929 666765658 /nfs/dbraw/zinc/76/56/58/666765658.db2.gz ZFWMXMVVVYFFBK-HZPDHXFCSA-N 2 2 354.495 0.949 10 0 FCAELP O=S(=O)(C[C@@]12CC[N@@H+](C1)CCC2)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000916832285 667031015 /nfs/dbraw/zinc/03/10/15/667031015.db2.gz MMMCRSYODXBTSI-MSOLQXFVSA-N 2 2 371.547 0.989 10 0 FCAELP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@H+](C)[C@@H](C)C3)C2)CC[NH+]1C ZINC000839693734 667719701 /nfs/dbraw/zinc/71/97/01/667719701.db2.gz QOEMXBRTAVVLQU-WNKDZCFJSA-N 2 2 350.507 0.728 10 0 FCAELP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@@H+](C)[C@@H](C)C3)C2)CC[NH+]1C ZINC000839693734 667719702 /nfs/dbraw/zinc/71/97/02/667719702.db2.gz QOEMXBRTAVVLQU-WNKDZCFJSA-N 2 2 350.507 0.728 10 0 FCAELP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[NH+](C)[C@@H](C)C3)C2)CC[N@@H+]1C ZINC000839693734 667719704 /nfs/dbraw/zinc/71/97/04/667719704.db2.gz QOEMXBRTAVVLQU-WNKDZCFJSA-N 2 2 350.507 0.728 10 0 FCAELP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[NH+](C)[C@@H](C)C3)C2)CC[N@H+]1C ZINC000839693734 667719705 /nfs/dbraw/zinc/71/97/05/667719705.db2.gz QOEMXBRTAVVLQU-WNKDZCFJSA-N 2 2 350.507 0.728 10 0 FCAELP COC(=O)c1cn(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)nn1 ZINC000758263254 667750062 /nfs/dbraw/zinc/75/00/62/667750062.db2.gz HRWAELFSJIKBBV-UHFFFAOYSA-N 2 2 350.467 0.372 10 0 FCAELP C[C@H]1C[N@H+](CC(=O)NCc2ccc(S(C)(=O)=O)cc2)CC[C@H]1C[NH3+] ZINC000923494442 667841144 /nfs/dbraw/zinc/84/11/44/667841144.db2.gz MXHRYXMJVSZIEQ-ZFWWWQNUSA-N 2 2 353.488 0.623 10 0 FCAELP C[C@H]1C[N@@H+](CC(=O)NCc2ccc(S(C)(=O)=O)cc2)CC[C@H]1C[NH3+] ZINC000923494442 667841146 /nfs/dbraw/zinc/84/11/46/667841146.db2.gz MXHRYXMJVSZIEQ-ZFWWWQNUSA-N 2 2 353.488 0.623 10 0 FCAELP Ic1cnn2c1C[N@H+](CCN1CC[NH2+]CC1)CC2 ZINC000923549832 667848443 /nfs/dbraw/zinc/84/84/43/667848443.db2.gz QIBDMLKVADPWBI-UHFFFAOYSA-N 2 2 361.231 0.209 10 0 FCAELP Ic1cnn2c1C[N@@H+](CCN1CC[NH2+]CC1)CC2 ZINC000923549832 667848449 /nfs/dbraw/zinc/84/84/49/667848449.db2.gz QIBDMLKVADPWBI-UHFFFAOYSA-N 2 2 361.231 0.209 10 0 FCAELP C[NH+]1CCC(CNC(=O)N2C[C@@H]3C[C@]3(CO)C2)([NH+]2CCCCC2)CC1 ZINC000782972109 668590948 /nfs/dbraw/zinc/59/09/48/668590948.db2.gz OXIVWDNPKCXGEG-FUHWJXTLSA-N 2 2 350.507 0.961 10 0 FCAELP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000824369064 669386892 /nfs/dbraw/zinc/38/68/92/669386892.db2.gz VGJGIVXAWINWLP-BDXSIMOUSA-N 2 2 351.491 0.999 10 0 FCAELP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000824369064 669386904 /nfs/dbraw/zinc/38/69/04/669386904.db2.gz VGJGIVXAWINWLP-BDXSIMOUSA-N 2 2 351.491 0.999 10 0 FCAELP CN(C)C(=O)O[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000830574339 669794148 /nfs/dbraw/zinc/79/41/48/669794148.db2.gz PJXMUTQREPWDGD-INIZCTEOSA-N 2 2 352.479 0.892 10 0 FCAELP CN(C)C(=O)O[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000830574339 669794155 /nfs/dbraw/zinc/79/41/55/669794155.db2.gz PJXMUTQREPWDGD-INIZCTEOSA-N 2 2 352.479 0.892 10 0 FCAELP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)C[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000847559377 671206922 /nfs/dbraw/zinc/20/69/22/671206922.db2.gz HKYWTQLJZBIGKG-GJZGRUSLSA-N 2 2 354.495 0.996 10 0 FCAELP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)C[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000847559377 671206923 /nfs/dbraw/zinc/20/69/23/671206923.db2.gz HKYWTQLJZBIGKG-GJZGRUSLSA-N 2 2 354.495 0.996 10 0 FCAELP C[C@H]1CC[NH+](CC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000847559377 671206926 /nfs/dbraw/zinc/20/69/26/671206926.db2.gz HKYWTQLJZBIGKG-GJZGRUSLSA-N 2 2 354.495 0.996 10 0 FCAELP C[C@H]1CC[NH+](CC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000847559377 671206927 /nfs/dbraw/zinc/20/69/27/671206927.db2.gz HKYWTQLJZBIGKG-GJZGRUSLSA-N 2 2 354.495 0.996 10 0 FCAELP CC[N@H+](CCNC(=O)C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000848938682 671302594 /nfs/dbraw/zinc/30/25/94/671302594.db2.gz LXSHUXKDDSYFLT-OAGGEKHMSA-N 2 2 356.511 0.447 10 0 FCAELP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000848938682 671302599 /nfs/dbraw/zinc/30/25/99/671302599.db2.gz LXSHUXKDDSYFLT-OAGGEKHMSA-N 2 2 356.511 0.447 10 0 FCAELP CC[NH+](CCNC(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000848938682 671302603 /nfs/dbraw/zinc/30/26/03/671302603.db2.gz LXSHUXKDDSYFLT-OAGGEKHMSA-N 2 2 356.511 0.447 10 0 FCAELP CC[NH+](CCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000848938682 671302606 /nfs/dbraw/zinc/30/26/06/671302606.db2.gz LXSHUXKDDSYFLT-OAGGEKHMSA-N 2 2 356.511 0.447 10 0 FCAELP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000852748344 671523259 /nfs/dbraw/zinc/52/32/59/671523259.db2.gz RVRULZLUACNNJU-QAPCUYQASA-N 2 2 352.479 0.751 10 0 FCAELP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000852748344 671523260 /nfs/dbraw/zinc/52/32/60/671523260.db2.gz RVRULZLUACNNJU-QAPCUYQASA-N 2 2 352.479 0.751 10 0 FCAELP CCCS(=O)(=O)CC[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852763431 671524361 /nfs/dbraw/zinc/52/43/61/671524361.db2.gz ANMQYDZOUWVOOC-HNNXBMFYSA-N 2 2 369.535 0.824 10 0 FCAELP CCCS(=O)(=O)CC[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852763431 671524363 /nfs/dbraw/zinc/52/43/63/671524363.db2.gz ANMQYDZOUWVOOC-HNNXBMFYSA-N 2 2 369.535 0.824 10 0 FCAELP CCn1cncc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562447 675944996 /nfs/dbraw/zinc/94/49/96/675944996.db2.gz NRWIVADIMKBXRN-GASCZTMLSA-N 2 2 353.492 0.492 10 0 FCAELP CCn1cncc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562447 675944997 /nfs/dbraw/zinc/94/49/97/675944997.db2.gz NRWIVADIMKBXRN-GASCZTMLSA-N 2 2 353.492 0.492 10 0 FCAELP Nc1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cc1 ZINC000903562382 675945090 /nfs/dbraw/zinc/94/50/90/675945090.db2.gz KUICBRXSZLAVQB-IYBDPMFKSA-N 2 2 350.488 0.858 10 0 FCAELP Nc1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cc1 ZINC000903562382 675945092 /nfs/dbraw/zinc/94/50/92/675945092.db2.gz KUICBRXSZLAVQB-IYBDPMFKSA-N 2 2 350.488 0.858 10 0 FCAELP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903757461 675968684 /nfs/dbraw/zinc/96/86/84/675968684.db2.gz XYQOYJYXVXSRKQ-NWDGAFQWSA-N 2 2 361.368 0.470 10 0 FCAELP CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@@]1(CO)COCC2(CCC2)[NH+]1C ZINC000863210940 672104866 /nfs/dbraw/zinc/10/48/66/672104866.db2.gz SPDXYCPWYXCLOT-MAUKXSAKSA-N 2 2 370.563 0.551 10 0 FCAELP CC[N@H+]1CCC[C@H]1CNC(=S)NC[C@@]1(CO)COCC2(CCC2)[NH+]1C ZINC000863210940 672104867 /nfs/dbraw/zinc/10/48/67/672104867.db2.gz SPDXYCPWYXCLOT-MAUKXSAKSA-N 2 2 370.563 0.551 10 0 FCAELP CC[NH+]1CCC[C@H]1CNC(=S)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000863210940 672104870 /nfs/dbraw/zinc/10/48/70/672104870.db2.gz SPDXYCPWYXCLOT-MAUKXSAKSA-N 2 2 370.563 0.551 10 0 FCAELP CC[NH+]1CCC[C@H]1CNC(=S)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000863210940 672104872 /nfs/dbraw/zinc/10/48/72/672104872.db2.gz SPDXYCPWYXCLOT-MAUKXSAKSA-N 2 2 370.563 0.551 10 0 FCAELP COC(=O)C(C)(C)N1CC[NH+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903911037 675981793 /nfs/dbraw/zinc/98/17/93/675981793.db2.gz VHIPYXRKCVKLNC-OAHLLOKOSA-N 2 2 351.495 0.415 10 0 FCAELP O=C(C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)NCc1cccs1 ZINC000863549550 672136027 /nfs/dbraw/zinc/13/60/27/672136027.db2.gz FMRFOAIMLQLCJY-CABCVRRESA-N 2 2 364.471 0.621 10 0 FCAELP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](Cc2nc3c(s2)C[NH2+]CC3)CC1 ZINC000863643713 672144406 /nfs/dbraw/zinc/14/44/06/672144406.db2.gz UBRLCJLQZVMJGC-UONOGXRCSA-N 3 2 363.487 0.546 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C ZINC000864879045 672216031 /nfs/dbraw/zinc/21/60/31/672216031.db2.gz CZJHCHMPZVWJFT-KGLIPLIRSA-N 2 2 358.483 0.278 10 0 FCAELP C[C@H]1C[N@H+](CCNC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)CCO1 ZINC000865092131 672225761 /nfs/dbraw/zinc/22/57/61/672225761.db2.gz JIYLANZFWHJOLJ-KBPBESRZSA-N 2 2 358.483 0.278 10 0 FCAELP C[C@H]1C[N@@H+](CCNC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)CCO1 ZINC000865092131 672225762 /nfs/dbraw/zinc/22/57/62/672225762.db2.gz JIYLANZFWHJOLJ-KBPBESRZSA-N 2 2 358.483 0.278 10 0 FCAELP CO[C@@H]1CN2C(=O)N([C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C(=O)[C@@]2(C)C1 ZINC000865304139 672237621 /nfs/dbraw/zinc/23/76/21/672237621.db2.gz RBEBNFIJMYKADG-RLFYNMQTSA-N 2 2 350.463 0.597 10 0 FCAELP CO[C@@H]1CN2C(=O)N([C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C(=O)[C@@]2(C)C1 ZINC000865304139 672237626 /nfs/dbraw/zinc/23/76/26/672237626.db2.gz RBEBNFIJMYKADG-RLFYNMQTSA-N 2 2 350.463 0.597 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CC[C@@H]3CC[C@H](C(N)=O)O3)C2)CC1 ZINC000865750547 672249869 /nfs/dbraw/zinc/24/98/69/672249869.db2.gz QOFLBYFUMKZQOD-VNQPRFMTSA-N 2 2 352.479 0.084 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CC[C@@H]3CC[C@H](C(N)=O)O3)C2)CC1 ZINC000865750547 672249872 /nfs/dbraw/zinc/24/98/72/672249872.db2.gz QOFLBYFUMKZQOD-VNQPRFMTSA-N 2 2 352.479 0.084 10 0 FCAELP CO[C@H](C(=O)OC(C)(C)C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000865799519 672252255 /nfs/dbraw/zinc/25/22/55/672252255.db2.gz PIDJUTDBCIMOET-HNNXBMFYSA-N 2 2 357.495 0.828 10 0 FCAELP CO[C@H](C(=O)OC(C)(C)C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000865799519 672252257 /nfs/dbraw/zinc/25/22/57/672252257.db2.gz PIDJUTDBCIMOET-HNNXBMFYSA-N 2 2 357.495 0.828 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC000865798860 672252379 /nfs/dbraw/zinc/25/23/79/672252379.db2.gz AAQVXFPWHZHROQ-KGLIPLIRSA-N 2 2 367.412 0.817 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC000865798860 672252382 /nfs/dbraw/zinc/25/23/82/672252382.db2.gz AAQVXFPWHZHROQ-KGLIPLIRSA-N 2 2 367.412 0.817 10 0 FCAELP CN(Cc1cccs1)C(=O)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866706460 672289958 /nfs/dbraw/zinc/28/99/58/672289958.db2.gz AEHBPCIXJJFYFK-YUELXQCFSA-N 2 2 364.471 0.573 10 0 FCAELP CN(Cc1cccs1)C(=O)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866706460 672289960 /nfs/dbraw/zinc/28/99/60/672289960.db2.gz AEHBPCIXJJFYFK-YUELXQCFSA-N 2 2 364.471 0.573 10 0 FCAELP CCOC(=O)c1ncc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)s1 ZINC000866711545 672290994 /nfs/dbraw/zinc/29/09/94/672290994.db2.gz MEKASYCIWZBTDU-UHTWSYAYSA-N 2 2 366.443 0.687 10 0 FCAELP CCOC(=O)c1ncc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)s1 ZINC000866711545 672290996 /nfs/dbraw/zinc/29/09/96/672290996.db2.gz MEKASYCIWZBTDU-UHTWSYAYSA-N 2 2 366.443 0.687 10 0 FCAELP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000866714467 672291456 /nfs/dbraw/zinc/29/14/56/672291456.db2.gz PNAUTABVJHZWRZ-KXNHARMFSA-N 2 2 362.352 0.017 10 0 FCAELP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000866714467 672291459 /nfs/dbraw/zinc/29/14/59/672291459.db2.gz PNAUTABVJHZWRZ-KXNHARMFSA-N 2 2 362.352 0.017 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](N3C(=O)N[C@@H](Cc4cncs4)C3=O)C2)CC1 ZINC000871894337 672580036 /nfs/dbraw/zinc/58/00/36/672580036.db2.gz NTNBJXRKFSNGSQ-HIFRSBDPSA-N 2 2 363.487 0.775 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](N3C(=O)N[C@@H](Cc4cncs4)C3=O)C2)CC1 ZINC000871894337 672580039 /nfs/dbraw/zinc/58/00/39/672580039.db2.gz NTNBJXRKFSNGSQ-HIFRSBDPSA-N 2 2 363.487 0.775 10 0 FCAELP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000872153666 672595759 /nfs/dbraw/zinc/59/57/59/672595759.db2.gz MXZBODHWZOGQSU-QFBILLFUSA-N 2 2 350.507 0.633 10 0 FCAELP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000872153666 672595763 /nfs/dbraw/zinc/59/57/63/672595763.db2.gz MXZBODHWZOGQSU-QFBILLFUSA-N 2 2 350.507 0.633 10 0 FCAELP O=S(=O)(NCc1cc[nH+]c(N2CCSCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000923667618 673044588 /nfs/dbraw/zinc/04/45/88/673044588.db2.gz OCHPERYVIHEMPF-AWEZNQCLSA-N 2 2 356.517 0.806 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[C@H]1CC(=O)N(C)C1 ZINC000924736279 673762128 /nfs/dbraw/zinc/76/21/28/673762128.db2.gz JBNSDXSKMQSHJX-HNNXBMFYSA-N 2 2 353.511 0.522 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[C@H]1CC(=O)N(C)C1 ZINC000924736279 673762129 /nfs/dbraw/zinc/76/21/29/673762129.db2.gz JBNSDXSKMQSHJX-HNNXBMFYSA-N 2 2 353.511 0.522 10 0 FCAELP COC(=O)CC1CC(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000924923776 673769760 /nfs/dbraw/zinc/76/97/60/673769760.db2.gz ZILZKLAOMRFBII-UHFFFAOYSA-N 2 2 354.495 0.996 10 0 FCAELP COC(=O)CC1CC(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000924923776 673769765 /nfs/dbraw/zinc/76/97/65/673769765.db2.gz ZILZKLAOMRFBII-UHFFFAOYSA-N 2 2 354.495 0.996 10 0 FCAELP COC(=O)/C(C)=C/CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000925019480 673774393 /nfs/dbraw/zinc/77/43/93/673774393.db2.gz MHKWZLNTDCRXPH-HQYNXSMWSA-N 2 2 352.479 0.916 10 0 FCAELP COC(=O)/C(C)=C/CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000925019480 673774398 /nfs/dbraw/zinc/77/43/98/673774398.db2.gz MHKWZLNTDCRXPH-HQYNXSMWSA-N 2 2 352.479 0.916 10 0 FCAELP C[C@@H]1CN(C(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)C[C@H](C)[N@H+]1CCO ZINC000925171681 673781651 /nfs/dbraw/zinc/78/16/51/673781651.db2.gz LEUNOCGXWODLNI-QXSJWSMHSA-N 2 2 356.536 0.663 10 0 FCAELP C[C@@H]1CN(C(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)C[C@H](C)[N@@H+]1CCO ZINC000925171681 673781653 /nfs/dbraw/zinc/78/16/53/673781653.db2.gz LEUNOCGXWODLNI-QXSJWSMHSA-N 2 2 356.536 0.663 10 0 FCAELP C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)C[C@H](C)[NH+]1CCO ZINC000925171681 673781655 /nfs/dbraw/zinc/78/16/55/673781655.db2.gz LEUNOCGXWODLNI-QXSJWSMHSA-N 2 2 356.536 0.663 10 0 FCAELP C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)C[C@H](C)[NH+]1CCO ZINC000925171681 673781658 /nfs/dbraw/zinc/78/16/58/673781658.db2.gz LEUNOCGXWODLNI-QXSJWSMHSA-N 2 2 356.536 0.663 10 0 FCAELP C[NH+]1CCC(CN2C(=O)N[C@@]3(CCOC3)C2=O)([NH+]2CCCCC2)CC1 ZINC000925328108 673787335 /nfs/dbraw/zinc/78/73/35/673787335.db2.gz UHTLYWKTIHFYGU-GOSISDBHSA-N 2 2 350.463 0.648 10 0 FCAELP C[C@@H]1CN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC[C@H]1C[NH3+] ZINC000926050905 673809810 /nfs/dbraw/zinc/80/98/10/673809810.db2.gz PTFMASKJSRQHLL-CABCVRRESA-N 2 2 350.467 0.664 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926651351 673837597 /nfs/dbraw/zinc/83/75/97/673837597.db2.gz NADPMJDZOGCRQB-PVAVHDDUSA-N 2 2 354.495 0.458 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926651351 673837601 /nfs/dbraw/zinc/83/76/01/673837601.db2.gz NADPMJDZOGCRQB-PVAVHDDUSA-N 2 2 354.495 0.458 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@@H]1CCC2(CCOCC2)O1 ZINC000927186348 673854103 /nfs/dbraw/zinc/85/41/03/673854103.db2.gz NNLJEARMNQFHOQ-INIZCTEOSA-N 2 2 356.511 0.897 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@@H]1CCC2(CCOCC2)O1 ZINC000927186348 673854108 /nfs/dbraw/zinc/85/41/08/673854108.db2.gz NNLJEARMNQFHOQ-INIZCTEOSA-N 2 2 356.511 0.897 10 0 FCAELP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000927629045 673871049 /nfs/dbraw/zinc/87/10/49/673871049.db2.gz DHPRUJGGMHYHQL-WBVHZDCISA-N 2 2 354.495 0.650 10 0 FCAELP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000927629045 673871050 /nfs/dbraw/zinc/87/10/50/673871050.db2.gz DHPRUJGGMHYHQL-WBVHZDCISA-N 2 2 354.495 0.650 10 0 FCAELP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927629045 673871051 /nfs/dbraw/zinc/87/10/51/673871051.db2.gz DHPRUJGGMHYHQL-WBVHZDCISA-N 2 2 354.495 0.650 10 0 FCAELP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927629045 673871053 /nfs/dbraw/zinc/87/10/53/673871053.db2.gz DHPRUJGGMHYHQL-WBVHZDCISA-N 2 2 354.495 0.650 10 0 FCAELP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000929403996 673954463 /nfs/dbraw/zinc/95/44/63/673954463.db2.gz OLVLDKVAEAOYDB-ZDUSSCGKSA-N 2 2 367.519 0.812 10 0 FCAELP C[C@H](CNC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1)C[NH+]1CCCC1 ZINC000929566278 673964114 /nfs/dbraw/zinc/96/41/14/673964114.db2.gz ZXTXLDNJDBARSJ-CYBMUJFWSA-N 2 2 367.519 0.669 10 0 FCAELP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000929628232 673968887 /nfs/dbraw/zinc/96/88/87/673968887.db2.gz RCTQEWOZGHZPHV-GFCCVEGCSA-N 2 2 355.508 0.667 10 0 FCAELP C[C@H](CNC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1)[N@H+](C)C1CC1 ZINC000929956308 673987683 /nfs/dbraw/zinc/98/76/83/673987683.db2.gz IOOYYOJKNPOQCU-LLVKDONJSA-N 2 2 353.492 0.420 10 0 FCAELP C[C@H](CNC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1)[N@@H+](C)C1CC1 ZINC000929956308 673987684 /nfs/dbraw/zinc/98/76/84/673987684.db2.gz IOOYYOJKNPOQCU-LLVKDONJSA-N 2 2 353.492 0.420 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)n1 ZINC000929992181 673990736 /nfs/dbraw/zinc/99/07/36/673990736.db2.gz NCYOVSBWXCYQKQ-CYBMUJFWSA-N 2 2 365.503 0.421 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)n1 ZINC000929992181 673990737 /nfs/dbraw/zinc/99/07/37/673990737.db2.gz NCYOVSBWXCYQKQ-CYBMUJFWSA-N 2 2 365.503 0.421 10 0 FCAELP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000900683696 675706846 /nfs/dbraw/zinc/70/68/46/675706846.db2.gz OZKOUZSWAAGSFD-DAYGRLMNSA-N 2 2 366.531 0.608 10 0 FCAELP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000900683696 675706847 /nfs/dbraw/zinc/70/68/47/675706847.db2.gz OZKOUZSWAAGSFD-DAYGRLMNSA-N 2 2 366.531 0.608 10 0 FCAELP O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000901057299 675747038 /nfs/dbraw/zinc/74/70/38/675747038.db2.gz GOQGZVPBYRTFMD-SQNIBIBYSA-N 2 2 351.491 0.953 10 0 FCAELP O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000901057299 675747039 /nfs/dbraw/zinc/74/70/39/675747039.db2.gz GOQGZVPBYRTFMD-SQNIBIBYSA-N 2 2 351.491 0.953 10 0 FCAELP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CC[NH+]([C@@H](CC)CO)CC2)C1 ZINC000901146937 675763744 /nfs/dbraw/zinc/76/37/44/675763744.db2.gz MXNPYYYKVBPJMW-HOTGVXAUSA-N 2 2 355.479 0.177 10 0 FCAELP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+]([C@@H](CC)CO)CC2)C1 ZINC000901146937 675763745 /nfs/dbraw/zinc/76/37/45/675763745.db2.gz MXNPYYYKVBPJMW-HOTGVXAUSA-N 2 2 355.479 0.177 10 0 FCAELP C/C(=C/C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)C[NH+]1CCOCC1 ZINC000901161551 675765340 /nfs/dbraw/zinc/76/53/40/675765340.db2.gz CUVBXVNXOPJMFN-ZUIQIWFCSA-N 2 2 351.491 0.975 10 0 FCAELP CN(C(=O)[C@@H](O)C(C)(C)O)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000901201674 675769750 /nfs/dbraw/zinc/76/97/50/675769750.db2.gz SBHAUHIYIXQVIR-BRWVUGGUSA-N 2 2 355.523 0.914 10 0 FCAELP CN(C(=O)[C@@H](O)C(C)(C)O)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000901201674 675769751 /nfs/dbraw/zinc/76/97/51/675769751.db2.gz SBHAUHIYIXQVIR-BRWVUGGUSA-N 2 2 355.523 0.914 10 0 FCAELP CN(C(=O)[C@H](O)C(C)(C)O)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000901201675 675769845 /nfs/dbraw/zinc/76/98/45/675769845.db2.gz SBHAUHIYIXQVIR-IKGGRYGDSA-N 2 2 355.523 0.914 10 0 FCAELP CN(C(=O)[C@H](O)C(C)(C)O)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000901201675 675769847 /nfs/dbraw/zinc/76/98/47/675769847.db2.gz SBHAUHIYIXQVIR-IKGGRYGDSA-N 2 2 355.523 0.914 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001744832103 1170005024 /nfs/dbraw/zinc/00/50/24/1170005024.db2.gz PWMXISKDGLTMJA-ARFHVFGLSA-N 2 2 359.474 0.584 10 0 FCAELP COCC[NH+](CCOC)C1CN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000898250966 1192863914 /nfs/dbraw/zinc/86/39/14/1192863914.db2.gz DVOOHWIELOXFAO-KRWDZBQOSA-N 2 2 365.478 0.596 10 0 FCAELP COCC[NH+](CCOC)C1CN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000898250966 1192863915 /nfs/dbraw/zinc/86/39/15/1192863915.db2.gz DVOOHWIELOXFAO-KRWDZBQOSA-N 2 2 365.478 0.596 10 0 FCAELP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccccc1 ZINC001267522335 1181517290 /nfs/dbraw/zinc/51/72/90/1181517290.db2.gz CXXNDMSRAGSZKU-OAGGEKHMSA-N 2 2 355.442 0.717 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CCn2cncn2)C1 ZINC001267591028 1181992098 /nfs/dbraw/zinc/99/20/98/1181992098.db2.gz YHLIRTWUMIUCOI-BZUAXINKSA-N 2 2 357.462 0.596 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCn2cncn2)C1 ZINC001267591028 1181992105 /nfs/dbraw/zinc/99/21/05/1181992105.db2.gz YHLIRTWUMIUCOI-BZUAXINKSA-N 2 2 357.462 0.596 10 0 FCAELP CN(CC[NH2+]CC[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001481281385 1183161696 /nfs/dbraw/zinc/16/16/96/1183161696.db2.gz MJPJBLCQCDKQNQ-RBSFLKMASA-N 2 2 368.503 0.396 10 0 FCAELP CC(C)NC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001481496623 1186181419 /nfs/dbraw/zinc/18/14/19/1186181419.db2.gz CQOJQDFMDPBSFV-ARFHVFGLSA-N 2 2 361.490 0.829 10 0 FCAELP CC(C)NC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001481496623 1186181423 /nfs/dbraw/zinc/18/14/23/1186181423.db2.gz CQOJQDFMDPBSFV-ARFHVFGLSA-N 2 2 361.490 0.829 10 0 FCAELP CCN(C)C(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001481499673 1186192196 /nfs/dbraw/zinc/19/21/96/1186192196.db2.gz XNCJSGOQHGFBFH-ARFHVFGLSA-N 2 2 361.490 0.782 10 0 FCAELP C[C@H](CC[NH2+]CCN1C(=O)CCC1=O)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001268403096 1187494347 /nfs/dbraw/zinc/49/43/47/1187494347.db2.gz ILYSFFHODBVHFX-MGPQQGTHSA-N 2 2 361.446 0.157 10 0 FCAELP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CCc2[nH+]ccn2C)CC[N@@H+]1C ZINC000937299207 1187624689 /nfs/dbraw/zinc/62/46/89/1187624689.db2.gz VREUQRLTCGWFRQ-FXUDXRNXSA-N 2 2 359.474 0.505 10 0 FCAELP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CCc2[nH+]ccn2C)CC[N@H+]1C ZINC000937299207 1187624693 /nfs/dbraw/zinc/62/46/93/1187624693.db2.gz VREUQRLTCGWFRQ-FXUDXRNXSA-N 2 2 359.474 0.505 10 0 FCAELP Cc1cc(NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)on1 ZINC001268661880 1187753259 /nfs/dbraw/zinc/75/32/59/1187753259.db2.gz NMOKHANYVPJBOA-JHJVBQTASA-N 2 2 360.418 0.553 10 0 FCAELP C[C@@H](C[NH2+]Cc1cc(=O)n2nccc2[nH]1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001268690281 1187761479 /nfs/dbraw/zinc/76/14/79/1187761479.db2.gz POCDKGIZEQCHPJ-CYZMBNFOSA-N 2 2 355.402 0.144 10 0 FCAELP C[C@@H](C[NH2+]Cc1cc(=O)n2nccc2[nH]1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001268690281 1187761486 /nfs/dbraw/zinc/76/14/86/1187761486.db2.gz POCDKGIZEQCHPJ-CYZMBNFOSA-N 2 2 355.402 0.144 10 0 FCAELP CN(CCC[NH2+]CC(=O)NC1CCOCC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001268798715 1187782713 /nfs/dbraw/zinc/78/27/13/1187782713.db2.gz NCMLOZOEFODTPR-HUUCEWRRSA-N 2 2 363.462 0.247 10 0 FCAELP CN(CCC[NH2+]CC(=O)NC1CCOCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001268798715 1187782715 /nfs/dbraw/zinc/78/27/15/1187782715.db2.gz NCMLOZOEFODTPR-HUUCEWRRSA-N 2 2 363.462 0.247 10 0 FCAELP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000549956101 1187827155 /nfs/dbraw/zinc/82/71/55/1187827155.db2.gz JMLNBWVJTGNTMK-GJZGRUSLSA-N 2 2 366.462 0.226 10 0 FCAELP CC(C)N(C)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001270136597 1188027942 /nfs/dbraw/zinc/02/79/42/1188027942.db2.gz NFTSVLLAQVHHAX-BZUAXINKSA-N 2 2 361.490 0.971 10 0 FCAELP CCN(CC)C(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001270634056 1188225506 /nfs/dbraw/zinc/22/55/06/1188225506.db2.gz ZVSWKTNXAOJTAT-CLCXKQKWSA-N 2 2 361.490 0.973 10 0 FCAELP CCN(CC)C(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001270634056 1188225510 /nfs/dbraw/zinc/22/55/10/1188225510.db2.gz ZVSWKTNXAOJTAT-CLCXKQKWSA-N 2 2 361.490 0.973 10 0 FCAELP C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](C[NH2+]Cc2cnc[nH]2)CC3)CC1 ZINC000894560141 1188231540 /nfs/dbraw/zinc/23/15/40/1188231540.db2.gz QROYFJQFUNVMGS-CQSZACIVSA-N 2 2 357.462 0.346 10 0 FCAELP C[NH+]1CCC(CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)([NH+]2CCCCC2)CC1 ZINC000896692484 1190116053 /nfs/dbraw/zinc/11/60/53/1190116053.db2.gz FADRDHDNQVBPOJ-GOSISDBHSA-N 3 2 364.534 0.774 10 0 FCAELP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000898548930 1194043112 /nfs/dbraw/zinc/04/31/12/1194043112.db2.gz UBLNNBRCWNVWJR-SJORKVTESA-N 2 2 355.442 0.951 10 0 FCAELP C[N@H+]1CCC[C@@H](NC(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000898548930 1194043115 /nfs/dbraw/zinc/04/31/15/1194043115.db2.gz UBLNNBRCWNVWJR-SJORKVTESA-N 2 2 355.442 0.951 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3coc4c3C(=O)NCCC4)C2)CC1 ZINC000906662071 1195643488 /nfs/dbraw/zinc/64/34/88/1195643488.db2.gz TZKQFLWYTZGFRE-CYBMUJFWSA-N 2 2 360.458 0.854 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3coc4c3C(=O)NCCC4)C2)CC1 ZINC000906662071 1195643490 /nfs/dbraw/zinc/64/34/90/1195643490.db2.gz TZKQFLWYTZGFRE-CYBMUJFWSA-N 2 2 360.458 0.854 10 0 FCAELP Cn1cc(CN(CCn2cc[nH+]c2)C(=O)C2C[NH+]([C@@H]3CCOC3)C2)cn1 ZINC000908066861 1195722119 /nfs/dbraw/zinc/72/21/19/1195722119.db2.gz JJYTYGANRHEQHS-QGZVFWFLSA-N 2 2 358.446 0.366 10 0 FCAELP O=C(c1ccc(NCCn2cc[nH+]c2)cc1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000911903504 1196319769 /nfs/dbraw/zinc/31/97/69/1196319769.db2.gz DIELBVVESBNMAD-GOSISDBHSA-N 2 2 355.442 0.886 10 0 FCAELP O=C(c1ccc(NCCn2cc[nH+]c2)cc1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000911903504 1196319772 /nfs/dbraw/zinc/31/97/72/1196319772.db2.gz DIELBVVESBNMAD-GOSISDBHSA-N 2 2 355.442 0.886 10 0 FCAELP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000913427320 1196429861 /nfs/dbraw/zinc/42/98/61/1196429861.db2.gz GCTZEHMNGQYELN-INIZCTEOSA-N 2 2 364.490 0.395 10 0 FCAELP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000913427320 1196429865 /nfs/dbraw/zinc/42/98/65/1196429865.db2.gz GCTZEHMNGQYELN-INIZCTEOSA-N 2 2 364.490 0.395 10 0 FCAELP C[NH+](C)CCn1ncc(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)c1-c1ccccc1 ZINC000913544709 1196454509 /nfs/dbraw/zinc/45/45/09/1196454509.db2.gz KLVXLKRZUJJDKX-QGZVFWFLSA-N 2 2 371.485 0.860 10 0 FCAELP C[NH+](C)CCn1ncc(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)c1-c1ccccc1 ZINC000913544709 1196454514 /nfs/dbraw/zinc/45/45/14/1196454514.db2.gz KLVXLKRZUJJDKX-QGZVFWFLSA-N 2 2 371.485 0.860 10 0 FCAELP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC12CC[NH+](CC1)C2 ZINC000913630761 1197094254 /nfs/dbraw/zinc/09/42/54/1197094254.db2.gz CUGMWVCCCFFAJI-UHFFFAOYSA-N 2 2 357.458 0.475 10 0 FCAELP O=C(NC12CC[NH+](CC1)C2)c1cccc(C(=O)NC23CC[NH+](CC2)C3)c1O ZINC000913633480 1197095674 /nfs/dbraw/zinc/09/56/74/1197095674.db2.gz GQCQJLFWTBPHBT-UHFFFAOYSA-N 2 2 370.453 0.548 10 0 FCAELP C[NH+]1CCC2(CC1)NC(=O)N(C[NH+]1CCC(C[NH+]3CCCC3)CC1)C2=O ZINC000151824522 1197120854 /nfs/dbraw/zinc/12/08/54/1197120854.db2.gz CIFCUWBQOKBGRQ-UHFFFAOYSA-N 3 2 363.506 0.768 10 0 FCAELP C[N@@H+]1CCC[C@](O)(CC(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)C1 ZINC000913751703 1197123180 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/nfs/dbraw/zinc/01/49/42/1210014942.db2.gz VPAQWQVLYSSCLD-BZUAXINKSA-N 2 2 359.474 0.679 10 0 FCAELP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[NH+](C)C(C)(C)CC1 ZINC000867741734 1210027185 /nfs/dbraw/zinc/02/71/85/1210027185.db2.gz NYPHGZBLPKLCHX-UHFFFAOYSA-N 2 2 368.522 0.498 10 0 FCAELP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[NH+](C)C(C)(C)CC1 ZINC000867741734 1210027189 /nfs/dbraw/zinc/02/71/89/1210027189.db2.gz NYPHGZBLPKLCHX-UHFFFAOYSA-N 2 2 368.522 0.498 10 0 FCAELP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000867741734 1210027194 /nfs/dbraw/zinc/02/71/94/1210027194.db2.gz NYPHGZBLPKLCHX-UHFFFAOYSA-N 2 2 368.522 0.498 10 0 FCAELP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000867741734 1210027197 /nfs/dbraw/zinc/02/71/97/1210027197.db2.gz NYPHGZBLPKLCHX-UHFFFAOYSA-N 2 2 368.522 0.498 10 0 FCAELP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3cn(CCC[NH3+])nn3)C2)cc1 ZINC000867998368 1210038406 /nfs/dbraw/zinc/03/84/06/1210038406.db2.gz VSWKGRMZQLIEBJ-KRWDZBQOSA-N 2 2 372.473 0.566 10 0 FCAELP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)c3cn(CCC[NH3+])nn3)C2)cc1 ZINC000867998368 1210038413 /nfs/dbraw/zinc/03/84/13/1210038413.db2.gz VSWKGRMZQLIEBJ-KRWDZBQOSA-N 2 2 372.473 0.566 10 0 FCAELP COC[C@@]1(C(=O)NC[C@H]2C[N@H+](Cc3cccc(C)c3)CCO2)CC[NH2+]C1 ZINC000867997143 1210038493 /nfs/dbraw/zinc/03/84/93/1210038493.db2.gz CCGCZBDWWNTOBL-AZUAARDMSA-N 2 2 361.486 0.938 10 0 FCAELP COC[C@@]1(C(=O)NC[C@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)CC[NH2+]C1 ZINC000867997143 1210038496 /nfs/dbraw/zinc/03/84/96/1210038496.db2.gz CCGCZBDWWNTOBL-AZUAARDMSA-N 2 2 361.486 0.938 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)CC1 ZINC000868358526 1210055200 /nfs/dbraw/zinc/05/52/00/1210055200.db2.gz PVALWZPCCPXAPS-IBGZPJMESA-N 2 2 368.522 0.391 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)CC1 ZINC000868358528 1210055251 /nfs/dbraw/zinc/05/52/51/1210055251.db2.gz PVALWZPCCPXAPS-LJQANCHMSA-N 2 2 368.522 0.391 10 0 FCAELP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000868418124 1210064227 /nfs/dbraw/zinc/06/42/27/1210064227.db2.gz IWFWIRWTVWLELN-RTBURBONSA-N 2 2 370.497 0.992 10 0 FCAELP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000868720157 1210072307 /nfs/dbraw/zinc/07/23/07/1210072307.db2.gz HKMDYFXWDFRVSL-ZNMIVQPWSA-N 2 2 370.494 0.421 10 0 FCAELP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000868720157 1210072311 /nfs/dbraw/zinc/07/23/11/1210072311.db2.gz HKMDYFXWDFRVSL-ZNMIVQPWSA-N 2 2 370.494 0.421 10 0 FCAELP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000868875870 1210077132 /nfs/dbraw/zinc/07/71/32/1210077132.db2.gz ZYQIFQOTNXYRBC-AWEZNQCLSA-N 2 2 372.510 0.668 10 0 FCAELP C[C@@H]1C[N@H+](CCNC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)[C@H](C)CO1 ZINC000869243671 1210087534 /nfs/dbraw/zinc/08/75/34/1210087534.db2.gz RTLDELXBQHGEKL-KFWWJZLASA-N 2 2 372.510 0.667 10 0 FCAELP C[C@@H]1C[N@@H+](CCNC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)[C@H](C)CO1 ZINC000869243671 1210087538 /nfs/dbraw/zinc/08/75/38/1210087538.db2.gz RTLDELXBQHGEKL-KFWWJZLASA-N 2 2 372.510 0.667 10 0 FCAELP C[NH+]1CCN(C(=O)c2ccc(-c3noc([C@]4(C)C[NH2+]CCO4)n3)cn2)CC1 ZINC000872177802 1210173681 /nfs/dbraw/zinc/17/36/81/1210173681.db2.gz OCBFNOZXWDUMLJ-SFHVURJKSA-N 2 2 372.429 0.354 10 0 FCAELP CC(C)N1C(=O)CN(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1=O ZINC000124678235 1210260986 /nfs/dbraw/zinc/26/09/86/1210260986.db2.gz OZWDNJDDMVSFNP-SJPCQFCGSA-N 2 2 363.506 0.859 10 0 FCAELP CC(C)N1C(=O)CN(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1=O ZINC000124678235 1210260992 /nfs/dbraw/zinc/26/09/92/1210260992.db2.gz OZWDNJDDMVSFNP-SJPCQFCGSA-N 2 2 363.506 0.859 10 0 FCAELP C(C(C[N@@H+]1C[C@@H]2COC[C@H](C1)O2)C1CCCC1)[NH+]1C[C@@H]2COC[C@H](C1)O2 ZINC000878565557 1210462172 /nfs/dbraw/zinc/46/21/72/1210462172.db2.gz PKMMZDCLLGUWGO-FGYAAKKASA-N 2 2 366.502 0.992 10 0 FCAELP C(C(C[N@H+]1C[C@@H]2COC[C@H](C1)O2)C1CCCC1)[NH+]1C[C@@H]2COC[C@H](C1)O2 ZINC000878565557 1210462173 /nfs/dbraw/zinc/46/21/73/1210462173.db2.gz PKMMZDCLLGUWGO-FGYAAKKASA-N 2 2 366.502 0.992 10 0 FCAELP O=C(CC[N@H+]1CCC[C@@H](CO)[C@H]1CO)N1CCN(c2cccc[nH+]2)CC1 ZINC000879361663 1210479710 /nfs/dbraw/zinc/47/97/10/1210479710.db2.gz LCELXHUBURSBOZ-DLBZAZTESA-N 2 2 362.474 0.186 10 0 FCAELP O=C(CC[N@@H+]1CCC[C@@H](CO)[C@H]1CO)N1CCN(c2cccc[nH+]2)CC1 ZINC000879361663 1210479713 /nfs/dbraw/zinc/47/97/13/1210479713.db2.gz LCELXHUBURSBOZ-DLBZAZTESA-N 2 2 362.474 0.186 10 0 FCAELP CCC[N@H+](C)CCC(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001299410930 1211165528 /nfs/dbraw/zinc/16/55/28/1211165528.db2.gz NRDXEPWVRYGNBA-HZPDHXFCSA-N 2 2 361.490 0.925 10 0 FCAELP CCC[N@@H+](C)CCC(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001299410930 1211165529 /nfs/dbraw/zinc/16/55/29/1211165529.db2.gz NRDXEPWVRYGNBA-HZPDHXFCSA-N 2 2 361.490 0.925 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC(C[NH2+]CCN2CCNC2=O)C1 ZINC001275289990 1211209693 /nfs/dbraw/zinc/20/96/93/1211209693.db2.gz SGOUBEHCFRIEEE-NEXFUWMNSA-N 2 2 360.462 0.033 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](N3C(=O)N[C@H](CCC4OCCO4)C3=O)C2)CC1 ZINC000924634847 1211475849 /nfs/dbraw/zinc/47/58/49/1211475849.db2.gz PFNRVNWDRMBGBL-HUUCEWRRSA-N 2 2 366.462 0.228 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](N3C(=O)N[C@H](CCC4OCCO4)C3=O)C2)CC1 ZINC000924634847 1211475852 /nfs/dbraw/zinc/47/58/52/1211475852.db2.gz PFNRVNWDRMBGBL-HUUCEWRRSA-N 2 2 366.462 0.228 10 0 FCAELP CN(C(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000925164326 1211491835 /nfs/dbraw/zinc/49/18/35/1211491835.db2.gz OCONLYLNMDDQIC-WCVJEAGWSA-N 2 2 354.520 0.681 10 0 FCAELP CN(C(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12)[C@@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000925164326 1211491836 /nfs/dbraw/zinc/49/18/36/1211491836.db2.gz OCONLYLNMDDQIC-WCVJEAGWSA-N 2 2 354.520 0.681 10 0 FCAELP CN(C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000925164326 1211491837 /nfs/dbraw/zinc/49/18/37/1211491837.db2.gz OCONLYLNMDDQIC-WCVJEAGWSA-N 2 2 354.520 0.681 10 0 FCAELP CN(C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000925164326 1211491838 /nfs/dbraw/zinc/49/18/38/1211491838.db2.gz OCONLYLNMDDQIC-WCVJEAGWSA-N 2 2 354.520 0.681 10 0 FCAELP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000925838030 1211508185 /nfs/dbraw/zinc/50/81/85/1211508185.db2.gz JMDWUCOUHGWUND-RDJZCZTQSA-N 2 2 362.474 0.118 10 0 FCAELP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)C[C@]2(C)C1 ZINC000929769509 1211659973 /nfs/dbraw/zinc/65/99/73/1211659973.db2.gz RVQJBNUJRDYLMA-UZLBHIALSA-N 2 2 367.453 0.899 10 0 FCAELP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)C[C@]2(C)C1 ZINC000929769509 1211659976 /nfs/dbraw/zinc/65/99/76/1211659976.db2.gz RVQJBNUJRDYLMA-UZLBHIALSA-N 2 2 367.453 0.899 10 0 FCAELP COC1(OC)CC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@H]1O ZINC000931635604 1211766409 /nfs/dbraw/zinc/76/64/09/1211766409.db2.gz OQFBOMIBOLZSRT-IAGOWNOFSA-N 2 2 365.474 0.461 10 0 FCAELP COC1(OC)CC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@H]1O ZINC000931635604 1211766414 /nfs/dbraw/zinc/76/64/14/1211766414.db2.gz OQFBOMIBOLZSRT-IAGOWNOFSA-N 2 2 365.474 0.461 10 0 FCAELP CC1(C)CNC(=O)[C@@H]1[NH2+]C[C@@H](C[NH2+][C@@H]1C(=O)NCC1(C)C)c1ccccc1 ZINC000931652612 1211768596 /nfs/dbraw/zinc/76/85/96/1211768596.db2.gz PPNLWVQXKYKDEK-OSYLJGHBSA-N 2 2 372.513 0.999 10 0 FCAELP CCN(C(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C)[C@H]1CC[N@H+](C)C1 ZINC000827376873 1216593284 /nfs/dbraw/zinc/59/32/84/1216593284.db2.gz JUMQANQMEWQGPP-INIZCTEOSA-N 2 2 370.457 0.745 10 0 FCAELP CCN(C(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C)[C@H]1CC[N@@H+](C)C1 ZINC000827376873 1216593289 /nfs/dbraw/zinc/59/32/89/1216593289.db2.gz JUMQANQMEWQGPP-INIZCTEOSA-N 2 2 370.457 0.745 10 0 FCAELP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000900207984 1217970838 /nfs/dbraw/zinc/97/08/38/1217970838.db2.gz ANTWEOGKMCMQJM-AZUAARDMSA-N 2 2 360.502 0.505 10 0 FCAELP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000900207984 1217970845 /nfs/dbraw/zinc/97/08/45/1217970845.db2.gz ANTWEOGKMCMQJM-AZUAARDMSA-N 2 2 360.502 0.505 10 0 FCAELP CN1CC[NH+](Cc2ccc(CNC(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)cc2)CC1 ZINC000900207984 1217970852 /nfs/dbraw/zinc/97/08/52/1217970852.db2.gz ANTWEOGKMCMQJM-AZUAARDMSA-N 2 2 360.502 0.505 10 0 FCAELP CN1CC[NH+](Cc2ccc(CNC(=O)[C@@]3(C)C[C@H](O)C[N@H+]3C)cc2)CC1 ZINC000900207984 1217970856 /nfs/dbraw/zinc/97/08/56/1217970856.db2.gz ANTWEOGKMCMQJM-AZUAARDMSA-N 2 2 360.502 0.505 10 0 FCAELP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)C1 ZINC000903760231 1218518643 /nfs/dbraw/zinc/51/86/43/1218518643.db2.gz RHUAOMMMZUTHQW-WOPDTQHZSA-N 2 2 373.379 0.474 10 0 FCAELP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cnn1C ZINC000903909937 1218561843 /nfs/dbraw/zinc/56/18/43/1218561843.db2.gz IZCXCYPPQAFJNP-POAQFYNOSA-N 3 2 362.566 0.804 10 0 FCAELP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cnn1C ZINC000903909937 1218561854 /nfs/dbraw/zinc/56/18/54/1218561854.db2.gz IZCXCYPPQAFJNP-POAQFYNOSA-N 3 2 362.566 0.804 10 0 FCAELP CC(C)N1CC[C@@H]([NH2+]C2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1=O ZINC001277178626 1225862719 /nfs/dbraw/zinc/86/27/19/1225862719.db2.gz ZVBIROJSZQNCEE-RBSFLKMASA-N 2 2 359.474 0.771 10 0 FCAELP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000804050774 1219102566 /nfs/dbraw/zinc/10/25/66/1219102566.db2.gz KZIXPZUWQPVJGG-LSDHHAIUSA-N 2 2 361.446 0.095 10 0 FCAELP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000804050774 1219102569 /nfs/dbraw/zinc/10/25/69/1219102569.db2.gz KZIXPZUWQPVJGG-LSDHHAIUSA-N 2 2 361.446 0.095 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC001117365122 1221533040 /nfs/dbraw/zinc/53/30/40/1221533040.db2.gz JHBDJBWMWHRIEO-WDSOQIARSA-N 2 2 370.497 0.943 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC001117365122 1221533049 /nfs/dbraw/zinc/53/30/49/1221533049.db2.gz JHBDJBWMWHRIEO-WDSOQIARSA-N 2 2 370.497 0.943 10 0 FCAELP C[NH2+][C@H](C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1)c1cnn(C)c1 ZINC001118572080 1221801960 /nfs/dbraw/zinc/80/19/60/1221801960.db2.gz MXTCTYFXZLJHBR-OALUTQOASA-N 2 2 370.501 0.613 10 0 FCAELP C[NH2+][C@H](C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)c1cnn(C)c1 ZINC001118572080 1221801963 /nfs/dbraw/zinc/80/19/63/1221801963.db2.gz MXTCTYFXZLJHBR-OALUTQOASA-N 2 2 370.501 0.613 10 0 FCAELP CN(CC[NH+](C)C)C(=O)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001118623000 1221809735 /nfs/dbraw/zinc/80/97/35/1221809735.db2.gz QEXTTYFPYFCKNG-MRXNPFEDSA-N 2 2 357.458 0.840 10 0 FCAELP C[N@H+](C[C@H](O)C1(O)CCOCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001119749206 1221963166 /nfs/dbraw/zinc/96/31/66/1221963166.db2.gz MTEJQIQGYRUREU-RBUKOAKNSA-N 2 2 364.486 0.458 10 0 FCAELP C[N@@H+](C[C@H](O)C1(O)CCOCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001119749206 1221963172 /nfs/dbraw/zinc/96/31/72/1221963172.db2.gz MTEJQIQGYRUREU-RBUKOAKNSA-N 2 2 364.486 0.458 10 0 FCAELP C[NH+](C[C@H](O)C1(O)CCOCC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001119749206 1221963177 /nfs/dbraw/zinc/96/31/77/1221963177.db2.gz MTEJQIQGYRUREU-RBUKOAKNSA-N 2 2 364.486 0.458 10 0 FCAELP C[NH+](C[C@H](O)C1(O)CCOCC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001119749206 1221963183 /nfs/dbraw/zinc/96/31/83/1221963183.db2.gz MTEJQIQGYRUREU-RBUKOAKNSA-N 2 2 364.486 0.458 10 0 FCAELP CNc1cc(CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc[nH+]1 ZINC001123748536 1222354540 /nfs/dbraw/zinc/35/45/40/1222354540.db2.gz HQAZQNLROJSPSK-OAHLLOKOSA-N 2 2 362.478 0.865 10 0 FCAELP CNc1cc(CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc[nH+]1 ZINC001123748536 1222354544 /nfs/dbraw/zinc/35/45/44/1222354544.db2.gz HQAZQNLROJSPSK-OAHLLOKOSA-N 2 2 362.478 0.865 10 0 FCAELP COc1c(C)c[nH+]c(CNC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1C ZINC000842149382 1222837389 /nfs/dbraw/zinc/83/73/89/1222837389.db2.gz XSXIPLGCJFGOPV-LJQANCHMSA-N 2 2 360.458 0.925 10 0 FCAELP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000842208917 1222841533 /nfs/dbraw/zinc/84/15/33/1222841533.db2.gz UCMNXAIPISBROV-BEFAXECRSA-N 2 2 357.458 0.379 10 0 FCAELP O=C([C@@H]1CCC[N@H+](Cc2cnn(-c3ccccc3)n2)C1)N1CC[NH2+]CC1 ZINC000843047398 1222857262 /nfs/dbraw/zinc/85/72/62/1222857262.db2.gz UAQCXQITAFBVMD-MRXNPFEDSA-N 2 2 354.458 0.911 10 0 FCAELP O=C([C@@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3)n2)C1)N1CC[NH2+]CC1 ZINC000843047398 1222857263 /nfs/dbraw/zinc/85/72/63/1222857263.db2.gz UAQCXQITAFBVMD-MRXNPFEDSA-N 2 2 354.458 0.911 10 0 FCAELP O=C(CC[NH2+]C[C@@H](O)c1ccc(F)cn1)N1CCN(c2cccc[nH+]2)CC1 ZINC000818987991 1245316502 /nfs/dbraw/zinc/31/65/02/1245316502.db2.gz BSVVSQCGTONVMO-QGZVFWFLSA-N 2 2 373.432 0.978 10 0 FCAELP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001328959747 1265662031 /nfs/dbraw/zinc/66/20/31/1265662031.db2.gz TYOHATKALHYYLP-YUELXQCFSA-N 2 2 374.445 0.165 10 0 FCAELP C[N@@H+]1C[C@H](C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)[C@@H](c2ccccc2)C1 ZINC001329990942 1265917263 /nfs/dbraw/zinc/91/72/63/1265917263.db2.gz WWMRGIPWNXQISX-AQNXPRMDSA-N 2 2 373.497 0.891 10 0 FCAELP C[N@H+]1C[C@H](C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)[C@@H](c2ccccc2)C1 ZINC001329990942 1265917270 /nfs/dbraw/zinc/91/72/70/1265917270.db2.gz WWMRGIPWNXQISX-AQNXPRMDSA-N 2 2 373.497 0.891 10 0 FCAELP C[NH+](C)CC(=O)N1CCN(C(=O)[C@]2([NH+](C)C)COc3ccccc3C2)CC1 ZINC001520780260 1265998159 /nfs/dbraw/zinc/99/81/59/1265998159.db2.gz KVMQYFFJVWIHKD-HXUWFJFHSA-N 2 2 374.485 0.154 10 0 FCAELP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@@]2(C)C1 ZINC001521654343 1266159333 /nfs/dbraw/zinc/15/93/33/1266159333.db2.gz JXJNVWJOXVCFQX-BEFAXECRSA-N 2 2 361.490 0.909 10 0 FCAELP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001521945090 1266248107 /nfs/dbraw/zinc/24/81/07/1266248107.db2.gz TTXYXDYBMUTVDG-KFWWJZLASA-N 2 2 367.469 0.843 10 0 FCAELP CCOC(=O)C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC001255273347 1259909513 /nfs/dbraw/zinc/90/95/13/1259909513.db2.gz YDJBJWAHCASWHE-DLBZAZTESA-N 2 2 369.506 0.877 10 0 FCAELP CCOC(=O)C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC001255273347 1259909521 /nfs/dbraw/zinc/90/95/21/1259909521.db2.gz YDJBJWAHCASWHE-DLBZAZTESA-N 2 2 369.506 0.877 10 0 FCAELP CCOC(=O)C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001255273347 1259909527 /nfs/dbraw/zinc/90/95/27/1259909527.db2.gz YDJBJWAHCASWHE-DLBZAZTESA-N 2 2 369.506 0.877 10 0 FCAELP CCOC(=O)C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001255273347 1259909534 /nfs/dbraw/zinc/90/95/34/1259909534.db2.gz YDJBJWAHCASWHE-DLBZAZTESA-N 2 2 369.506 0.877 10 0 FCAELP C[C@@H]1[C@H](O)CCCN1C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001262122065 1260263431 /nfs/dbraw/zinc/26/34/31/1260263431.db2.gz XEJROPKNSGKOSO-RHSMWYFYSA-N 2 2 366.506 0.033 10 0 FCAELP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001264653069 1260394992 /nfs/dbraw/zinc/39/49/92/1260394992.db2.gz IJRSBCNDLBZSEK-SJORKVTESA-N 2 2 366.506 0.015 10 0 FCAELP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001264653069 1260394995 /nfs/dbraw/zinc/39/49/95/1260394995.db2.gz IJRSBCNDLBZSEK-SJORKVTESA-N 2 2 366.506 0.015 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC(=O)N(C)Cc1ccco1 ZINC001264731288 1260405992 /nfs/dbraw/zinc/40/59/92/1260405992.db2.gz IMSONSACKFWBCP-WBVHZDCISA-N 2 2 362.474 0.913 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC(=O)N(C)Cc1ccco1 ZINC001264731288 1260405996 /nfs/dbraw/zinc/40/59/96/1260405996.db2.gz IMSONSACKFWBCP-WBVHZDCISA-N 2 2 362.474 0.913 10 0 FCAELP CC(=O)NCCOCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001278405027 1260692846 /nfs/dbraw/zinc/69/28/46/1260692846.db2.gz KKGNQXVBTKUQGV-RKVPGOIHSA-N 2 2 363.462 0.247 10 0 FCAELP CC(=O)NCCOCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001278405027 1260692857 /nfs/dbraw/zinc/69/28/57/1260692857.db2.gz KKGNQXVBTKUQGV-RKVPGOIHSA-N 2 2 363.462 0.247 10 0 FCAELP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001332237635 1266363509 /nfs/dbraw/zinc/36/35/09/1266363509.db2.gz KTGRYUIVYVOEMW-CFVMTHIKSA-N 2 2 359.430 0.229 10 0 FCAELP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)CCc2[nH+]ccn2C)C1)[NH+](C)C ZINC001281791868 1261198319 /nfs/dbraw/zinc/19/83/19/1261198319.db2.gz CPIJATOOFLLZER-IIDMSEBBSA-N 2 2 363.506 0.902 10 0 FCAELP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCc1[nH+]ccn1C ZINC001522170073 1266392991 /nfs/dbraw/zinc/39/29/91/1266392991.db2.gz KZQUCIVCTRUDGS-PMPSAXMXSA-N 2 2 361.490 0.941 10 0 FCAELP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCc1[nH+]ccn1C ZINC001522170073 1266392999 /nfs/dbraw/zinc/39/29/99/1266392999.db2.gz KZQUCIVCTRUDGS-PMPSAXMXSA-N 2 2 361.490 0.941 10 0 FCAELP CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC001281907376 1261275253 /nfs/dbraw/zinc/27/52/53/1261275253.db2.gz WHHMBQSGDIWUEZ-CVEARBPZSA-N 2 2 359.430 0.206 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NC(=O)CCc3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC001283345427 1261679518 /nfs/dbraw/zinc/67/95/18/1261679518.db2.gz KAPBUDJICHFXIR-HYVNUMGLSA-N 2 2 361.490 0.800 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NC(=O)CCc3c[nH+]cn3C)C2)CC[N@H+]1C ZINC001283345427 1261679530 /nfs/dbraw/zinc/67/95/30/1261679530.db2.gz KAPBUDJICHFXIR-HYVNUMGLSA-N 2 2 361.490 0.800 10 0 FCAELP C[N@@H+]1C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccon2)[C@@H](c2ccccc2)C1 ZINC001283806311 1261708118 /nfs/dbraw/zinc/70/81/18/1261708118.db2.gz UYULSCGIMCPEBN-KSZLIROESA-N 2 2 358.442 0.587 10 0 FCAELP C[N@H+]1C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccon2)[C@@H](c2ccccc2)C1 ZINC001283806311 1261708121 /nfs/dbraw/zinc/70/81/21/1261708121.db2.gz UYULSCGIMCPEBN-KSZLIROESA-N 2 2 358.442 0.587 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CCc2[nH+]ccn2C)CCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001345544450 1261735840 /nfs/dbraw/zinc/73/58/40/1261735840.db2.gz WQKVNYUHCTUQDV-XHSDSOJGSA-N 2 2 361.490 0.800 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CCc2[nH+]ccn2C)CCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001345544450 1261735845 /nfs/dbraw/zinc/73/58/45/1261735845.db2.gz WQKVNYUHCTUQDV-XHSDSOJGSA-N 2 2 361.490 0.800 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)CCc3c[nH+]cn3C)CC2)CC[N@@H+]1C ZINC001285933164 1261888637 /nfs/dbraw/zinc/88/86/37/1261888637.db2.gz IUNCYWDSBXBTSF-JKSUJKDBSA-N 2 2 361.490 0.848 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)CCc3c[nH+]cn3C)CC2)CC[N@H+]1C ZINC001285933164 1261888641 /nfs/dbraw/zinc/88/86/41/1261888641.db2.gz IUNCYWDSBXBTSF-JKSUJKDBSA-N 2 2 361.490 0.848 10 0 FCAELP CC(C)[C@@H](C(=O)N[C@@H]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1)[NH+](C)C ZINC001290178079 1262396809 /nfs/dbraw/zinc/39/68/09/1262396809.db2.gz LRNPCIMBJZQPSY-DAYGRLMNSA-N 2 2 363.506 0.950 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@@H+]1C ZINC001296239081 1262798419 /nfs/dbraw/zinc/79/84/19/1262798419.db2.gz FVMZJSTXWWOSME-ZJIFWQFVSA-N 2 2 361.490 0.829 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@H+]1C ZINC001296239081 1262798421 /nfs/dbraw/zinc/79/84/21/1262798421.db2.gz FVMZJSTXWWOSME-ZJIFWQFVSA-N 2 2 361.490 0.829 10 0 FCAELP Cn1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C2)n1 ZINC001479475679 1263213904 /nfs/dbraw/zinc/21/39/04/1263213904.db2.gz KNRATUUGZSGSRV-UONOGXRCSA-N 2 2 351.499 0.563 10 0 FCAELP Cn1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C2)n1 ZINC001479475679 1263213905 /nfs/dbraw/zinc/21/39/05/1263213905.db2.gz KNRATUUGZSGSRV-UONOGXRCSA-N 2 2 351.499 0.563 10 0 FCAELP O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1)Nc1cnccn1 ZINC001479482468 1263217271 /nfs/dbraw/zinc/21/72/71/1263217271.db2.gz PVEDZVOJJRSMKO-QWHCGFSZSA-N 2 2 357.418 0.255 10 0 FCAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[C@@H]([NH2+]Cc2nnc3n2CCCC3)C1 ZINC001479493003 1263220269 /nfs/dbraw/zinc/22/02/69/1263220269.db2.gz BAACQAJNWBWYAK-LSDHHAIUSA-N 2 2 357.462 0.886 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[N@@H+]1C[C@@H](O)COC ZINC001479637072 1263287017 /nfs/dbraw/zinc/28/70/17/1263287017.db2.gz RFWKVZCRIVIIKT-IVMMDQJWSA-N 2 2 354.451 0.326 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[N@H+]1C[C@@H](O)COC ZINC001479637072 1263287021 /nfs/dbraw/zinc/28/70/21/1263287021.db2.gz RFWKVZCRIVIIKT-IVMMDQJWSA-N 2 2 354.451 0.326 10 0 FCAELP CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]2C1 ZINC001479671317 1263328739 /nfs/dbraw/zinc/32/87/39/1263328739.db2.gz FZQYAOGCFJDZAN-YYIAUSFCSA-N 2 2 373.501 0.830 10 0 FCAELP 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O=C(Cc1[nH]cc[nH+]1)NC[C@]12CCC[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001740434467 1290557265 /nfs/dbraw/zinc/55/72/65/1290557265.db2.gz QOKBZKXEMRQZMQ-YWZLYKJASA-N 2 2 371.485 0.793 10 0 FCAELP CCOCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H]1C ZINC001750927123 1290606474 /nfs/dbraw/zinc/60/64/74/1290606474.db2.gz KWQLNJGJTSGCNF-IKGGRYGDSA-N 2 2 368.522 0.593 10 0 FCAELP CCOCCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H]1C ZINC001750927123 1290606480 /nfs/dbraw/zinc/60/64/80/1290606480.db2.gz KWQLNJGJTSGCNF-IKGGRYGDSA-N 2 2 368.522 0.593 10 0 FCAELP CCOCCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@H]1C ZINC001750927123 1290606486 /nfs/dbraw/zinc/60/64/86/1290606486.db2.gz KWQLNJGJTSGCNF-IKGGRYGDSA-N 2 2 368.522 0.593 10 0 FCAELP CCOCCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@H]1C ZINC001750927123 1290606492 /nfs/dbraw/zinc/60/64/92/1290606492.db2.gz KWQLNJGJTSGCNF-IKGGRYGDSA-N 2 2 368.522 0.593 10 0 FCAELP 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CC(C)OCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001325137029 869790062 /nfs/dbraw/zinc/79/00/62/869790062.db2.gz BFCYWUGRNXFSQK-RKVPGOIHSA-N 2 2 350.463 0.502 10 0 FCAELP CC(C)OCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001325137029 869790068 /nfs/dbraw/zinc/79/00/68/869790068.db2.gz BFCYWUGRNXFSQK-RKVPGOIHSA-N 2 2 350.463 0.502 10 0 FCAELP CS(=O)(=O)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001326289307 870242948 /nfs/dbraw/zinc/24/29/48/870242948.db2.gz IEDHSEGACJJWQU-MGPQQGTHSA-N 2 2 354.476 0.386 10 0 FCAELP CS(=O)(=O)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001326289307 870242962 /nfs/dbraw/zinc/24/29/62/870242962.db2.gz IEDHSEGACJJWQU-MGPQQGTHSA-N 2 2 354.476 0.386 10 0 FCAELP CCOC[C@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001327363121 870816721 /nfs/dbraw/zinc/81/67/21/870816721.db2.gz HVPTUQRYGXJVBM-HOCLYGCPSA-N 2 2 354.495 0.155 10 0 FCAELP CCOC[C@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001327363121 870816726 /nfs/dbraw/zinc/81/67/26/870816726.db2.gz HVPTUQRYGXJVBM-HOCLYGCPSA-N 2 2 354.495 0.155 10 0 FCAELP CC(C)OCC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001328530415 871485726 /nfs/dbraw/zinc/48/57/26/871485726.db2.gz YDEOQTKBNFSDEN-HUUCEWRRSA-N 2 2 350.463 0.881 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC001330741682 872788301 /nfs/dbraw/zinc/78/83/01/872788301.db2.gz VKHQKQPHHDAKOE-OAHLLOKOSA-N 2 2 352.483 0.925 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC001330741682 872788318 /nfs/dbraw/zinc/78/83/18/872788318.db2.gz VKHQKQPHHDAKOE-OAHLLOKOSA-N 2 2 352.483 0.925 10 0 FCAELP COCCc1noc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001331453834 873111706 /nfs/dbraw/zinc/11/17/06/873111706.db2.gz BESOBWYOIBZDCW-MGPQQGTHSA-N 2 2 353.467 0.535 10 0 FCAELP COCCc1noc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001331453834 873111720 /nfs/dbraw/zinc/11/17/20/873111720.db2.gz BESOBWYOIBZDCW-MGPQQGTHSA-N 2 2 353.467 0.535 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCc3ccns3)C2)CC1 ZINC001332831783 873679709 /nfs/dbraw/zinc/67/97/09/873679709.db2.gz WHYVJWZTEFYUNO-ZDUSSCGKSA-N 2 2 365.503 0.087 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCc3ccns3)C2)CC1 ZINC001332831783 873679712 /nfs/dbraw/zinc/67/97/12/873679712.db2.gz WHYVJWZTEFYUNO-ZDUSSCGKSA-N 2 2 365.503 0.087 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC001333088004 873795915 /nfs/dbraw/zinc/79/59/15/873795915.db2.gz DJHCXOOVXGNFHY-GFCCVEGCSA-N 2 2 365.503 0.421 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC001333088004 873795922 /nfs/dbraw/zinc/79/59/22/873795922.db2.gz DJHCXOOVXGNFHY-GFCCVEGCSA-N 2 2 365.503 0.421 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)n1 ZINC001333177362 873839116 /nfs/dbraw/zinc/83/91/16/873839116.db2.gz HRAOOYXCXBGWIK-TZMCWYRMSA-N 2 2 367.519 0.810 10 0 FCAELP Cc1cc(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)cn2cc[nH+]c12 ZINC000292947517 214133267 /nfs/dbraw/zinc/13/32/67/214133267.db2.gz DWCWCOHRYUWLER-UHFFFAOYSA-N 2 2 359.430 0.810 10 0 FCAELP C[N@H+](CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)CC1(CO)CC1 ZINC000186788878 529827903 /nfs/dbraw/zinc/82/79/03/529827903.db2.gz FGPRTNCSQCURCQ-UHFFFAOYSA-N 2 2 373.497 0.970 10 0 FCAELP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)CC1(CO)CC1 ZINC000186788878 529827905 /nfs/dbraw/zinc/82/79/05/529827905.db2.gz FGPRTNCSQCURCQ-UHFFFAOYSA-N 2 2 373.497 0.970 10 0 FCAELP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000265216456 210076363 /nfs/dbraw/zinc/07/63/63/210076363.db2.gz VVEKZGAGEHQALK-MRXNPFEDSA-N 2 2 351.470 0.932 10 0 FCAELP CN1CC[N@H+](C)[C@H](CNC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000265216456 210076370 /nfs/dbraw/zinc/07/63/70/210076370.db2.gz VVEKZGAGEHQALK-MRXNPFEDSA-N 2 2 351.470 0.932 10 0 FCAELP CN1CC[N@@H+](C)[C@H](CNC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000265216456 210076374 /nfs/dbraw/zinc/07/63/74/210076374.db2.gz VVEKZGAGEHQALK-MRXNPFEDSA-N 2 2 351.470 0.932 10 0 FCAELP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000265216456 210076357 /nfs/dbraw/zinc/07/63/57/210076357.db2.gz VVEKZGAGEHQALK-MRXNPFEDSA-N 2 2 351.470 0.932 10 0 FCAELP Cn1cc(C(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000333459649 215284920 /nfs/dbraw/zinc/28/49/20/215284920.db2.gz GESNKNPYRBWZQZ-GDBMZVCRSA-N 2 2 371.489 0.750 10 0 FCAELP CN(C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333662878 215305999 /nfs/dbraw/zinc/30/59/99/215305999.db2.gz XEQXBDATBKVWJY-FXUDXRNXSA-N 2 2 354.401 0.684 10 0 FCAELP CN(C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333662878 215306002 /nfs/dbraw/zinc/30/60/02/215306002.db2.gz XEQXBDATBKVWJY-FXUDXRNXSA-N 2 2 354.401 0.684 10 0 FCAELP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000333729650 215313249 /nfs/dbraw/zinc/31/32/49/215313249.db2.gz VWQURTMFJRICIL-BRWVUGGUSA-N 2 2 365.522 0.713 10 0 FCAELP CCNC(=O)N1CC[C@@H](NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000361324438 215389137 /nfs/dbraw/zinc/38/91/37/215389137.db2.gz AMXUWANULLXPTO-LSDHHAIUSA-N 2 2 366.510 0.258 10 0 FCAELP CCNC(=O)N1CC[C@@H](NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000361324438 215389138 /nfs/dbraw/zinc/38/91/38/215389138.db2.gz AMXUWANULLXPTO-LSDHHAIUSA-N 2 2 366.510 0.258 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N[C@@H](C)C[NH+]3CCCCC3)CC2)cc[nH+]1 ZINC000284166904 213088121 /nfs/dbraw/zinc/08/81/21/213088121.db2.gz WUHGMANGLLXJMI-HNNXBMFYSA-N 2 2 374.489 0.424 10 0 FCAELP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+]C2(C(=O)N(C)C)CC2)CC1 ZINC000411916638 237107369 /nfs/dbraw/zinc/10/73/69/237107369.db2.gz WMCIMGLEFPVRRR-UHFFFAOYSA-N 2 2 358.486 0.850 10 0 FCAELP O=C(N[C@H](CO)C[NH+]1CCCCC1)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000413799939 237379753 /nfs/dbraw/zinc/37/97/53/237379753.db2.gz PALKBTNWDITKPI-KRWDZBQOSA-N 2 2 362.474 0.490 10 0 FCAELP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000246430808 209386309 /nfs/dbraw/zinc/38/63/09/209386309.db2.gz SZJMMJFDSJMHRY-ROUUACIJSA-N 2 2 368.522 0.994 10 0 FCAELP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000246430808 209386313 /nfs/dbraw/zinc/38/63/13/209386313.db2.gz SZJMMJFDSJMHRY-ROUUACIJSA-N 2 2 368.522 0.994 10 0 FCAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@H](C)CN3CCOCC3)CC2)C1 ZINC000246120245 209378541 /nfs/dbraw/zinc/37/85/41/209378541.db2.gz QOJADGYWRFIBEI-MOPGFXCFSA-N 2 2 354.539 0.434 10 0 FCAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@H](C)CN3CCOCC3)CC2)C1 ZINC000246120245 209378548 /nfs/dbraw/zinc/37/85/48/209378548.db2.gz QOJADGYWRFIBEI-MOPGFXCFSA-N 2 2 354.539 0.434 10 0 FCAELP CC(C)[N@@H+]1CCO[C@@H](CN2CCN([C@H](C)C[NH+]3CCOCC3)CC2)C1 ZINC000246120245 209378552 /nfs/dbraw/zinc/37/85/52/209378552.db2.gz QOJADGYWRFIBEI-MOPGFXCFSA-N 2 2 354.539 0.434 10 0 FCAELP CC(C)[N@H+]1CCO[C@@H](CN2CCN([C@H](C)C[NH+]3CCOCC3)CC2)C1 ZINC000246120245 209378554 /nfs/dbraw/zinc/37/85/54/209378554.db2.gz QOJADGYWRFIBEI-MOPGFXCFSA-N 2 2 354.539 0.434 10 0 FCAELP C[C@@H]1CN(C(=O)CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C[C@H](C)O1 ZINC000245605183 209372301 /nfs/dbraw/zinc/37/23/01/209372301.db2.gz JXDZLFHIHNRAMN-MKAJOQBOSA-N 2 2 364.534 0.865 10 0 FCAELP C[C@@H]1CN(C(=O)CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C[C@H](C)O1 ZINC000245605183 209372304 /nfs/dbraw/zinc/37/23/04/209372304.db2.gz JXDZLFHIHNRAMN-MKAJOQBOSA-N 2 2 364.534 0.865 10 0 FCAELP C[C@@H]1CN(C(=O)C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C[C@H](C)O1 ZINC000245605183 209372308 /nfs/dbraw/zinc/37/23/08/209372308.db2.gz JXDZLFHIHNRAMN-MKAJOQBOSA-N 2 2 364.534 0.865 10 0 FCAELP C[C@@H]1CN(C(=O)C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C[C@H](C)O1 ZINC000245605183 209372312 /nfs/dbraw/zinc/37/23/12/209372312.db2.gz JXDZLFHIHNRAMN-MKAJOQBOSA-N 2 2 364.534 0.865 10 0 FCAELP C[C@@H]1CN(C(=O)C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C[C@H](C)O1 ZINC000226580156 209339440 /nfs/dbraw/zinc/33/94/40/209339440.db2.gz ACCYPSSDMJJYIS-FGTMMUONSA-N 2 2 352.523 0.724 10 0 FCAELP C[C@@H]1CN(C(=O)C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C[C@H](C)O1 ZINC000226580156 209339442 /nfs/dbraw/zinc/33/94/42/209339442.db2.gz ACCYPSSDMJJYIS-FGTMMUONSA-N 2 2 352.523 0.724 10 0 FCAELP C[N@H+]1C[C@@H]2C[NH+](CC(=O)NCc3cccc(C(=O)NC4CC4)c3)C[C@@H]2C1 ZINC000193608509 209315284 /nfs/dbraw/zinc/31/52/84/209315284.db2.gz QKGTWKKJPWYXPY-CALCHBBNSA-N 2 2 356.470 0.688 10 0 FCAELP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)NCc3cccc(C(=O)NC4CC4)c3)C[C@@H]2C1 ZINC000193608509 209315288 /nfs/dbraw/zinc/31/52/88/209315288.db2.gz QKGTWKKJPWYXPY-CALCHBBNSA-N 2 2 356.470 0.688 10 0 FCAELP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)NCc3cccc(C(=O)NC4CC4)c3)C[C@@H]2C1 ZINC000193608509 209315291 /nfs/dbraw/zinc/31/52/91/209315291.db2.gz QKGTWKKJPWYXPY-CALCHBBNSA-N 2 2 356.470 0.688 10 0 FCAELP C[NH+]1C[C@@H]2C[N@H+](CC(=O)NCc3cccc(C(=O)NC4CC4)c3)C[C@@H]2C1 ZINC000193608509 209315295 /nfs/dbraw/zinc/31/52/95/209315295.db2.gz QKGTWKKJPWYXPY-CALCHBBNSA-N 2 2 356.470 0.688 10 0 FCAELP C[C@H](CNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)[NH+]1CCOCC1 ZINC000192150218 209298276 /nfs/dbraw/zinc/29/82/76/209298276.db2.gz NKDGOBBFLUVIBR-QGZVFWFLSA-N 2 2 367.538 0.376 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@@H]2CCCCNC2=O)C1 ZINC000368892088 216313486 /nfs/dbraw/zinc/31/34/86/216313486.db2.gz NKJZMEFITHSMSC-HZPDHXFCSA-N 2 2 354.495 0.060 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@@H]2CCCCNC2=O)C1 ZINC000368892088 216313489 /nfs/dbraw/zinc/31/34/89/216313489.db2.gz NKJZMEFITHSMSC-HZPDHXFCSA-N 2 2 354.495 0.060 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)[C@@H]2CCCCNC2=O)C1 ZINC000368892088 216313492 /nfs/dbraw/zinc/31/34/92/216313492.db2.gz NKJZMEFITHSMSC-HZPDHXFCSA-N 2 2 354.495 0.060 10 0 FCAELP 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COCC(=O)N(C)CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000136131090 208700084 /nfs/dbraw/zinc/70/00/84/208700084.db2.gz ZLULWGYMRDUCKM-UHFFFAOYSA-N 2 2 354.495 0.158 10 0 FCAELP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178963956 209067775 /nfs/dbraw/zinc/06/77/75/209067775.db2.gz IWPIRDDZBAYKFR-INIZCTEOSA-N 2 2 359.474 0.111 10 0 FCAELP C[NH+]1CCN(Cc2ccc(C(=O)NC[C@H]3C[NH+]4CCN3CC4)cc2)CC1 ZINC000178975164 209069707 /nfs/dbraw/zinc/06/97/07/209069707.db2.gz RUIZGECTYDUIGG-IBGZPJMESA-N 2 2 357.502 0.164 10 0 FCAELP COC(=O)[C@@H]1CN(C(=O)NCc2[nH+]ccn2CC(C)C)CC[N@H+](C)C1 ZINC000413321069 533482237 /nfs/dbraw/zinc/48/22/37/533482237.db2.gz FWIRXYPRSRJQKJ-AWEZNQCLSA-N 2 2 351.451 0.785 10 0 FCAELP COC(=O)[C@@H]1CN(C(=O)NCc2[nH+]ccn2CC(C)C)CC[N@@H+](C)C1 ZINC000413321069 533482239 /nfs/dbraw/zinc/48/22/39/533482239.db2.gz FWIRXYPRSRJQKJ-AWEZNQCLSA-N 2 2 351.451 0.785 10 0 FCAELP CCn1cc(C[N@@H+]2CCCN(C(=O)NCC[NH+]3CCOCC3)CC2)cn1 ZINC000112714824 229167818 /nfs/dbraw/zinc/16/78/18/229167818.db2.gz VZKRYDGYQZWXFS-UHFFFAOYSA-N 2 2 364.494 0.453 10 0 FCAELP CCn1cc(C[N@H+]2CCCN(C(=O)NCC[NH+]3CCOCC3)CC2)cn1 ZINC000112714824 229167822 /nfs/dbraw/zinc/16/78/22/229167822.db2.gz VZKRYDGYQZWXFS-UHFFFAOYSA-N 2 2 364.494 0.453 10 0 FCAELP C[C@@H](O)CNc1cc(NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)nc[nH+]1 ZINC000528135389 484483311 /nfs/dbraw/zinc/48/33/11/484483311.db2.gz WQPWZAVMAMVAFM-DYVFJYSZSA-N 2 2 351.451 0.297 10 0 FCAELP C[C@@H](O)CNc1cc(NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)nc[nH+]1 ZINC000528135389 484483317 /nfs/dbraw/zinc/48/33/17/484483317.db2.gz WQPWZAVMAMVAFM-DYVFJYSZSA-N 2 2 351.451 0.297 10 0 FCAELP C[NH+](C)C1CCN(c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)CC1 ZINC000301210187 488877058 /nfs/dbraw/zinc/87/70/58/488877058.db2.gz ULWVCTHMTZDBBT-UHFFFAOYSA-N 2 2 367.519 0.548 10 0 FCAELP O=C(N1CC[NH+](CC2CCOCC2)CC1)C1([NH+]2CCOCC2)CCC1 ZINC000363710446 488877353 /nfs/dbraw/zinc/87/73/53/488877353.db2.gz HITTVMZFRLDYJW-UHFFFAOYSA-N 2 2 351.491 0.812 10 0 FCAELP Cc1nc(N2CCN(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)cc[nH+]1 ZINC000363891645 488896880 /nfs/dbraw/zinc/89/68/80/488896880.db2.gz ZZOGCVDTKWSKJT-JKSUJKDBSA-N 2 2 360.462 0.480 10 0 FCAELP Cc1nc(N2CCN(C(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC2)cc[nH+]1 ZINC000363891645 488896882 /nfs/dbraw/zinc/89/68/82/488896882.db2.gz ZZOGCVDTKWSKJT-JKSUJKDBSA-N 2 2 360.462 0.480 10 0 FCAELP C[N@@H+]1CCN(C(=O)NCCc2csc(N3CCCC3)n2)[C@@H](C[NH3+])C1 ZINC000562803889 491190248 /nfs/dbraw/zinc/19/02/48/491190248.db2.gz GJEREQZKUWEVIC-AWEZNQCLSA-N 2 2 352.508 0.570 10 0 FCAELP C[N@H+]1CCN(C(=O)NCCc2csc(N3CCCC3)n2)[C@@H](C[NH3+])C1 ZINC000562803889 491190250 /nfs/dbraw/zinc/19/02/50/491190250.db2.gz GJEREQZKUWEVIC-AWEZNQCLSA-N 2 2 352.508 0.570 10 0 FCAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@@]4(C3)NC(=O)NC4=O)c2cc1C ZINC000279113123 488918134 /nfs/dbraw/zinc/91/81/34/488918134.db2.gz STACKGWLLAVGGH-KUHUBIRLSA-N 2 2 371.441 0.688 10 0 FCAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@@]4(C3)NC(=O)NC4=O)c2cc1C ZINC000279113123 488918137 /nfs/dbraw/zinc/91/81/37/488918137.db2.gz STACKGWLLAVGGH-KUHUBIRLSA-N 2 2 371.441 0.688 10 0 FCAELP Cc1cc(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C(N)=O)CC2)nc(C(C)C)[nH+]1 ZINC000051562819 488137048 /nfs/dbraw/zinc/13/70/48/488137048.db2.gz XXFKMSVSSKMZKR-HNNXBMFYSA-N 2 2 374.489 0.507 10 0 FCAELP Cc1cc(N2CCN(C(=O)C[N@H+]3CCC[C@H]3C(N)=O)CC2)nc(C(C)C)[nH+]1 ZINC000051562819 488137054 /nfs/dbraw/zinc/13/70/54/488137054.db2.gz XXFKMSVSSKMZKR-HNNXBMFYSA-N 2 2 374.489 0.507 10 0 FCAELP Cn1cc[nH+]c1[C@H]1CN(C(=O)NC[C@@H]2CCc3[nH+]ccn3C2)CCN1C ZINC000279805845 488969586 /nfs/dbraw/zinc/96/95/86/488969586.db2.gz DYOVCIKXLOTZQP-LSDHHAIUSA-N 2 2 357.462 0.877 10 0 FCAELP Cc1ccc2[nH+]c(CNC(=O)C(=O)N3CC[C@@]4(C3)CCC[NH2+]C4)cn2c1 ZINC000562821272 491192328 /nfs/dbraw/zinc/19/23/28/491192328.db2.gz KEYPKRLTYLCFJT-IBGZPJMESA-N 2 2 355.442 0.861 10 0 FCAELP CCOc1ccc(C[NH+]2CCN(C[C@@H](O)C[NH+]3CCOCC3)CC2)cc1 ZINC000073125318 488383806 /nfs/dbraw/zinc/38/38/06/488383806.db2.gz SAJFICNLSMRPFM-LJQANCHMSA-N 2 2 363.502 0.896 10 0 FCAELP C[NH+](C)CCN1C[C@H](C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC1=O ZINC000074365539 488391625 /nfs/dbraw/zinc/39/16/25/488391625.db2.gz PQLGNYIUFKTUJZ-IAGOWNOFSA-N 2 2 366.506 0.110 10 0 FCAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NCCCCN2CC[NH+](CC)CC2)CC1 ZINC000184844669 488398067 /nfs/dbraw/zinc/39/80/67/488398067.db2.gz ZUYVQIJNPSYYAN-GOSISDBHSA-N 2 2 369.554 0.502 10 0 FCAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NCCCC[NH+]2CCN(CC)CC2)CC1 ZINC000184844669 488398065 /nfs/dbraw/zinc/39/80/65/488398065.db2.gz ZUYVQIJNPSYYAN-GOSISDBHSA-N 2 2 369.554 0.502 10 0 FCAELP CN1CC[NH+](CCC(C)(C)NC(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000185149319 488399834 /nfs/dbraw/zinc/39/98/34/488399834.db2.gz WDHZXIBVOPGZMT-UHFFFAOYSA-N 2 2 369.554 0.814 10 0 FCAELP CC[N@H+](CCNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)C(C)C ZINC000076972076 488407860 /nfs/dbraw/zinc/40/78/60/488407860.db2.gz LQOYTCCYDLHYCO-UHFFFAOYSA-N 2 2 367.538 0.960 10 0 FCAELP CC[N@@H+](CCNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)C(C)C ZINC000076972076 488407862 /nfs/dbraw/zinc/40/78/62/488407862.db2.gz LQOYTCCYDLHYCO-UHFFFAOYSA-N 2 2 367.538 0.960 10 0 FCAELP CC(C)[C@@H](CNC(=O)NC[C@@H](C)[NH+]1CCOCC1)[NH+]1CCN(C)CC1 ZINC000079126320 488427896 /nfs/dbraw/zinc/42/78/96/488427896.db2.gz FHTAUVUBQVZNOQ-IAGOWNOFSA-N 2 2 355.527 0.278 10 0 FCAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000079496037 488430070 /nfs/dbraw/zinc/43/00/70/488430070.db2.gz AIPAZYIJYRBTSE-QGZVFWFLSA-N 2 2 367.538 0.912 10 0 FCAELP C[C@@H]1CCNC(=O)[C@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000194030042 488430845 /nfs/dbraw/zinc/43/08/45/488430845.db2.gz RNTMMBJWLFZMSY-CVEARBPZSA-N 2 2 365.522 0.761 10 0 FCAELP Cc1ccc2[nH+]c(CNC(=O)N3CC[NH+](CCC(=O)N(C)C)CC3)cn2c1 ZINC000268582606 488433432 /nfs/dbraw/zinc/43/34/32/488433432.db2.gz NIFDAZSOHSZAKL-UHFFFAOYSA-N 2 2 372.473 0.948 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000268636819 488437723 /nfs/dbraw/zinc/43/77/23/488437723.db2.gz XALJDCMRDRZRQU-HNNXBMFYSA-N 2 2 365.478 0.688 10 0 FCAELP C[NH+]1CCN(c2cc(C(=O)N3CCC[C@H]3C[NH+]3CCOCC3)ccn2)CC1 ZINC000080942341 488438165 /nfs/dbraw/zinc/43/81/65/488438165.db2.gz RCNAGNQYCSKRCE-SFHVURJKSA-N 2 2 373.501 0.770 10 0 FCAELP C[N@H+](C[C@H](O)COC[C@H]1CCCO1)C1CC[NH+](CCn2cccn2)CC1 ZINC000246715240 488474889 /nfs/dbraw/zinc/47/48/89/488474889.db2.gz UQJXOLKASKVGGB-RBUKOAKNSA-N 2 2 366.506 0.836 10 0 FCAELP C[N@@H+](C[C@H](O)COC[C@H]1CCCO1)C1CC[NH+](CCn2cccn2)CC1 ZINC000246715240 488474891 /nfs/dbraw/zinc/47/48/91/488474891.db2.gz UQJXOLKASKVGGB-RBUKOAKNSA-N 2 2 366.506 0.836 10 0 FCAELP CCOCC[N@@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCOCC2)C[C@H]1CC ZINC000247101631 488481838 /nfs/dbraw/zinc/48/18/38/488481838.db2.gz MQTHNCWGFVSEHC-DLBZAZTESA-N 2 2 356.511 0.849 10 0 FCAELP CCOCC[N@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCOCC2)C[C@H]1CC ZINC000247101631 488481841 /nfs/dbraw/zinc/48/18/41/488481841.db2.gz MQTHNCWGFVSEHC-DLBZAZTESA-N 2 2 356.511 0.849 10 0 FCAELP COCC[N@@H+]1CCN(CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC000247877998 488490751 /nfs/dbraw/zinc/49/07/51/488490751.db2.gz YXFUOFKSACUOQI-ROUUACIJSA-N 2 2 370.538 0.112 10 0 FCAELP COCC[N@H+]1CCN(CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC000247877998 488490753 /nfs/dbraw/zinc/49/07/53/488490753.db2.gz YXFUOFKSACUOQI-ROUUACIJSA-N 2 2 370.538 0.112 10 0 FCAELP COCC[NH+]1CCN(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC000247877998 488490756 /nfs/dbraw/zinc/49/07/56/488490756.db2.gz YXFUOFKSACUOQI-ROUUACIJSA-N 2 2 370.538 0.112 10 0 FCAELP COCC[NH+]1CCN(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC000247877998 488490757 /nfs/dbraw/zinc/49/07/57/488490757.db2.gz YXFUOFKSACUOQI-ROUUACIJSA-N 2 2 370.538 0.112 10 0 FCAELP CC[C@@H]1CN(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC[N@@H+]1C[C@H](C)O ZINC000248483185 488497694 /nfs/dbraw/zinc/49/76/94/488497694.db2.gz JIPLWMGVQKDFBG-OKZBNKHCSA-N 2 2 369.554 0.357 10 0 FCAELP CC[C@@H]1CN(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC[N@H+]1C[C@H](C)O ZINC000248483185 488497696 /nfs/dbraw/zinc/49/76/96/488497696.db2.gz JIPLWMGVQKDFBG-OKZBNKHCSA-N 2 2 369.554 0.357 10 0 FCAELP O=C(NC[C@@H](O)C[NH+]1CCOCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000249771413 488515032 /nfs/dbraw/zinc/51/50/32/488515032.db2.gz LDDOTCHVBGTNBF-RTBURBONSA-N 2 2 361.486 0.708 10 0 FCAELP O=C(NC[C@@H](O)C[NH+]1CCOCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000249771413 488515035 /nfs/dbraw/zinc/51/50/35/488515035.db2.gz LDDOTCHVBGTNBF-RTBURBONSA-N 2 2 361.486 0.708 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000110917094 488527379 /nfs/dbraw/zinc/52/73/79/488527379.db2.gz WJTAKUVHQUIKAU-UHFFFAOYSA-N 2 2 374.529 0.985 10 0 FCAELP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000261717004 488532866 /nfs/dbraw/zinc/53/28/66/488532866.db2.gz JTATVNLYESXHIV-HZPDHXFCSA-N 2 2 359.474 0.612 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)ccc2[nH+]1 ZINC000271633379 488533419 /nfs/dbraw/zinc/53/34/19/488533419.db2.gz JYRMNJINKALFLB-AWEZNQCLSA-N 2 2 372.473 0.581 10 0 FCAELP CC[C@H](O)C[NH+]1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000112294506 488534555 /nfs/dbraw/zinc/53/45/55/488534555.db2.gz QJGQWOSIVKGTGR-KRWDZBQOSA-N 2 2 361.490 0.362 10 0 FCAELP [NH3+]C1(C(=O)NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)CCOCC1 ZINC000261804843 488536580 /nfs/dbraw/zinc/53/65/80/488536580.db2.gz JBSNBYXEMOKKHT-UHFFFAOYSA-N 2 2 366.506 0.335 10 0 FCAELP C[NH+](C)CCn1c(=O)oc2ccc(NC[C@H](O)C[NH+]3CCOCC3)cc21 ZINC000563004599 491207260 /nfs/dbraw/zinc/20/72/60/491207260.db2.gz KRTALSHCRASIAI-HNNXBMFYSA-N 2 2 364.446 0.261 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CCCn2cc[nH+]c2)C1 ZINC000124217088 488590702 /nfs/dbraw/zinc/59/07/02/488590702.db2.gz XFEBZLHNFAJJNF-KRWDZBQOSA-N 3 2 351.495 0.678 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CCCn2cc[nH+]c2)C1 ZINC000124217088 488590703 /nfs/dbraw/zinc/59/07/03/488590703.db2.gz XFEBZLHNFAJJNF-KRWDZBQOSA-N 3 2 351.495 0.678 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)CCCn2cc[nH+]c2)C1 ZINC000124217088 488590704 /nfs/dbraw/zinc/59/07/04/488590704.db2.gz XFEBZLHNFAJJNF-KRWDZBQOSA-N 3 2 351.495 0.678 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)CCCn2cc[nH+]c2)C1 ZINC000124217088 488590705 /nfs/dbraw/zinc/59/07/05/488590705.db2.gz XFEBZLHNFAJJNF-KRWDZBQOSA-N 3 2 351.495 0.678 10 0 FCAELP C[C@@H](Cn1cncn1)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000124481180 488593568 /nfs/dbraw/zinc/59/35/68/488593568.db2.gz JJXSONPEDSTTSN-PMRDEQMMSA-N 2 2 361.494 0.619 10 0 FCAELP C[C@@H](Cn1cncn1)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000124481180 488593570 /nfs/dbraw/zinc/59/35/70/488593570.db2.gz JJXSONPEDSTTSN-PMRDEQMMSA-N 2 2 361.494 0.619 10 0 FCAELP O=C(CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000263235380 488607192 /nfs/dbraw/zinc/60/71/92/488607192.db2.gz NZPAGDQDZFYIEL-OAHLLOKOSA-N 2 2 366.412 0.444 10 0 FCAELP C[N@@H+]1CCN(C(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)[C@@H](C[NH3+])C1 ZINC000563101301 491215624 /nfs/dbraw/zinc/21/56/24/491215624.db2.gz BAYGBPYLZSVNNY-STQMWFEESA-N 2 2 352.385 0.419 10 0 FCAELP C[N@H+]1CCN(C(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)[C@@H](C[NH3+])C1 ZINC000563101301 491215625 /nfs/dbraw/zinc/21/56/25/491215625.db2.gz BAYGBPYLZSVNNY-STQMWFEESA-N 2 2 352.385 0.419 10 0 FCAELP C[NH+](C)C[C@@H]1CN(CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000155359631 488754494 /nfs/dbraw/zinc/75/44/94/488754494.db2.gz APRXADMXWBSJMG-QGZVFWFLSA-N 2 2 361.490 0.383 10 0 FCAELP COC(=O)Cn1cc(CC[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)nn1 ZINC000156294373 488764056 /nfs/dbraw/zinc/76/40/56/488764056.db2.gz XVQMHKILUALBHR-CQSZACIVSA-N 2 2 351.451 0.179 10 0 FCAELP COC(=O)Cn1cc(CC[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)nn1 ZINC000156294373 488764057 /nfs/dbraw/zinc/76/40/57/488764057.db2.gz XVQMHKILUALBHR-CQSZACIVSA-N 2 2 351.451 0.179 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000158673354 488779566 /nfs/dbraw/zinc/77/95/66/488779566.db2.gz ZWDKIPQBUZNXQT-GUDVDZBRSA-N 3 2 366.550 0.876 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000158673354 488779568 /nfs/dbraw/zinc/77/95/68/488779568.db2.gz ZWDKIPQBUZNXQT-GUDVDZBRSA-N 3 2 366.550 0.876 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000158673354 488779570 /nfs/dbraw/zinc/77/95/70/488779570.db2.gz ZWDKIPQBUZNXQT-GUDVDZBRSA-N 3 2 366.550 0.876 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000158673354 488779572 /nfs/dbraw/zinc/77/95/72/488779572.db2.gz ZWDKIPQBUZNXQT-GUDVDZBRSA-N 3 2 366.550 0.876 10 0 FCAELP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)NCCOc1ccc2c(c1)OCO2 ZINC000563149691 491221703 /nfs/dbraw/zinc/22/17/03/491221703.db2.gz HMJUBKHWZRONPI-LJQANCHMSA-N 2 2 361.442 0.986 10 0 FCAELP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)NCCOc1ccc2c(c1)OCO2 ZINC000563149691 491221704 /nfs/dbraw/zinc/22/17/04/491221704.db2.gz HMJUBKHWZRONPI-LJQANCHMSA-N 2 2 361.442 0.986 10 0 FCAELP CN(C(=O)c1ccc(NC(=O)[C@@H]2COCC[NH2+]2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000169209628 488812983 /nfs/dbraw/zinc/81/29/83/488812983.db2.gz GJCXNVQPRJCZQX-IRXDYDNUSA-N 2 2 360.458 0.780 10 0 FCAELP CN(C(=O)c1ccc(NC(=O)[C@@H]2COCC[NH2+]2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000169209628 488812985 /nfs/dbraw/zinc/81/29/85/488812985.db2.gz GJCXNVQPRJCZQX-IRXDYDNUSA-N 2 2 360.458 0.780 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCCN(c3ccc(C)nn3)CC2)CC1 ZINC000170939892 488818086 /nfs/dbraw/zinc/81/80/86/488818086.db2.gz VMDOCYSCTDNBEA-KRWDZBQOSA-N 2 2 360.506 0.850 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCCN(c3ccc(C)nn3)CC2)CC1 ZINC000170939892 488818088 /nfs/dbraw/zinc/81/80/88/488818088.db2.gz VMDOCYSCTDNBEA-KRWDZBQOSA-N 2 2 360.506 0.850 10 0 FCAELP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171642430 488825030 /nfs/dbraw/zinc/82/50/30/488825030.db2.gz JUDAMPOQXKKOSS-LSDHHAIUSA-N 2 2 359.474 0.941 10 0 FCAELP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171642430 488825032 /nfs/dbraw/zinc/82/50/32/488825032.db2.gz JUDAMPOQXKKOSS-LSDHHAIUSA-N 2 2 359.474 0.941 10 0 FCAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000171641035 488825074 /nfs/dbraw/zinc/82/50/74/488825074.db2.gz UADHZYIWSURANP-MRXNPFEDSA-N 2 2 371.485 0.896 10 0 FCAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000171641035 488825076 /nfs/dbraw/zinc/82/50/76/488825076.db2.gz UADHZYIWSURANP-MRXNPFEDSA-N 2 2 371.485 0.896 10 0 FCAELP CC[C@H]1CN(C(=O)NCC[NH+]2CCOCC2(C)C)CC[N@@H+]1CCOC ZINC000172335081 488833064 /nfs/dbraw/zinc/83/30/64/488833064.db2.gz VJRJECCFRZSQGW-INIZCTEOSA-N 2 2 356.511 0.849 10 0 FCAELP CC[C@H]1CN(C(=O)NCC[NH+]2CCOCC2(C)C)CC[N@H+]1CCOC ZINC000172335081 488833065 /nfs/dbraw/zinc/83/30/65/488833065.db2.gz VJRJECCFRZSQGW-INIZCTEOSA-N 2 2 356.511 0.849 10 0 FCAELP CC[C@H]1CN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC[NH+]1CCOC ZINC000172335081 488833066 /nfs/dbraw/zinc/83/30/66/488833066.db2.gz VJRJECCFRZSQGW-INIZCTEOSA-N 2 2 356.511 0.849 10 0 FCAELP CC[C@H]1CN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC[NH+]1CCOC ZINC000172335081 488833067 /nfs/dbraw/zinc/83/30/67/488833067.db2.gz VJRJECCFRZSQGW-INIZCTEOSA-N 2 2 356.511 0.849 10 0 FCAELP CC(C)c1nnnn1CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000173479748 488843101 /nfs/dbraw/zinc/84/31/01/488843101.db2.gz VTXSOZSNTAEFRZ-UHFFFAOYSA-N 2 2 363.510 0.863 10 0 FCAELP CCN1CC[NH+](CCCCNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000173785456 488845189 /nfs/dbraw/zinc/84/51/89/488845189.db2.gz UFVPHHVTUFVDQI-GOSISDBHSA-N 2 2 367.538 0.520 10 0 FCAELP CC(C)[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[NH+]1CCOCC1 ZINC000173772841 488845321 /nfs/dbraw/zinc/84/53/21/488845321.db2.gz IHBDVOTVDSXBJD-IAGOWNOFSA-N 2 2 354.495 0.459 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173788837 488845384 /nfs/dbraw/zinc/84/53/84/488845384.db2.gz NPMGKAXELWZMTM-IRXDYDNUSA-N 2 2 354.495 0.459 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173788837 488845385 /nfs/dbraw/zinc/84/53/85/488845385.db2.gz NPMGKAXELWZMTM-IRXDYDNUSA-N 2 2 354.495 0.459 10 0 FCAELP COCCC[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000173892331 488845960 /nfs/dbraw/zinc/84/59/60/488845960.db2.gz IIZGGUQUZMSRIB-QGZVFWFLSA-N 2 2 354.495 0.603 10 0 FCAELP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174874868 488851886 /nfs/dbraw/zinc/85/18/86/488851886.db2.gz HAQSUZSMEUSTAB-ZBFHGGJFSA-N 2 2 351.495 0.465 10 0 FCAELP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174874868 488851887 /nfs/dbraw/zinc/85/18/87/488851887.db2.gz HAQSUZSMEUSTAB-ZBFHGGJFSA-N 2 2 351.495 0.465 10 0 FCAELP C[NH+]1CCC(C(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)CC1 ZINC000174958202 488852562 /nfs/dbraw/zinc/85/25/62/488852562.db2.gz UIJOUKSFCNJUJA-GOSISDBHSA-N 2 2 361.486 0.912 10 0 FCAELP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2cnn(-c3ncccn3)c2)CC1 ZINC000175426860 488854171 /nfs/dbraw/zinc/85/41/71/488854171.db2.gz FXTSZQMVBJGLOC-UHFFFAOYSA-N 2 2 358.450 0.810 10 0 FCAELP CN(Cc1[nH+]ccn1C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000288557097 488991973 /nfs/dbraw/zinc/99/19/73/488991973.db2.gz ZJIJEQTUIOVOMJ-RDJZCZTQSA-N 2 2 355.442 0.940 10 0 FCAELP CN(Cc1[nH+]ccn1C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000288557097 488991976 /nfs/dbraw/zinc/99/19/76/488991976.db2.gz ZJIJEQTUIOVOMJ-RDJZCZTQSA-N 2 2 355.442 0.940 10 0 FCAELP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@@H](O)C4(CC4)C3)CC2)cc1 ZINC000364863530 489011549 /nfs/dbraw/zinc/01/15/49/489011549.db2.gz SESLKMRCXXHYGF-GOSISDBHSA-N 2 2 359.470 0.796 10 0 FCAELP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@@H](O)C4(CC4)C3)CC2)cc1 ZINC000364863530 489011552 /nfs/dbraw/zinc/01/15/52/489011552.db2.gz SESLKMRCXXHYGF-GOSISDBHSA-N 2 2 359.470 0.796 10 0 FCAELP Cn1cccc1C[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000365193461 489048261 /nfs/dbraw/zinc/04/82/61/489048261.db2.gz HQIFLGKFHLPLKK-MRXNPFEDSA-N 2 2 370.501 0.961 10 0 FCAELP CN(C(=O)CNC(=O)c1cccnc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000366240777 489162251 /nfs/dbraw/zinc/16/22/51/489162251.db2.gz QHHWENZMSAJAPL-QGZVFWFLSA-N 2 2 359.474 0.438 10 0 FCAELP CN(C(=O)CNC(=O)c1cccnc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000366240777 489162253 /nfs/dbraw/zinc/16/22/53/489162253.db2.gz QHHWENZMSAJAPL-QGZVFWFLSA-N 2 2 359.474 0.438 10 0 FCAELP COc1cccc([C@@H](CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)[NH+](C)C)c1 ZINC000283420758 489256918 /nfs/dbraw/zinc/25/69/18/489256918.db2.gz LDUDFQVHAKYRHD-GOSISDBHSA-N 2 2 374.485 0.721 10 0 FCAELP C[C@@H]1CN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C[C@H](C)[N@H+]1CCO ZINC000369617191 489257621 /nfs/dbraw/zinc/25/76/21/489257621.db2.gz YWRXLHFMXPORAQ-GASCZTMLSA-N 2 2 358.446 0.864 10 0 FCAELP C[C@@H]1CN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C[C@H](C)[N@@H+]1CCO ZINC000369617191 489257624 /nfs/dbraw/zinc/25/76/24/489257624.db2.gz YWRXLHFMXPORAQ-GASCZTMLSA-N 2 2 358.446 0.864 10 0 FCAELP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000298193544 489302603 /nfs/dbraw/zinc/30/26/03/489302603.db2.gz WRGUFFYPWNMPFE-UHFFFAOYSA-N 2 2 362.474 0.867 10 0 FCAELP COC(=O)C1([N@H+](C)CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CCCC1 ZINC000370758026 489397759 /nfs/dbraw/zinc/39/77/59/489397759.db2.gz QQTSXDFYVFEPRR-INIZCTEOSA-N 2 2 369.506 0.877 10 0 FCAELP COC(=O)C1([N@@H+](C)CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CCCC1 ZINC000370758026 489397762 /nfs/dbraw/zinc/39/77/62/489397762.db2.gz QQTSXDFYVFEPRR-INIZCTEOSA-N 2 2 369.506 0.877 10 0 FCAELP COC(=O)C1([NH+](C)CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CCCC1 ZINC000370758026 489397766 /nfs/dbraw/zinc/39/77/66/489397766.db2.gz QQTSXDFYVFEPRR-INIZCTEOSA-N 2 2 369.506 0.877 10 0 FCAELP COC(=O)C1([NH+](C)CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CCCC1 ZINC000370758026 489397770 /nfs/dbraw/zinc/39/77/70/489397770.db2.gz QQTSXDFYVFEPRR-INIZCTEOSA-N 2 2 369.506 0.877 10 0 FCAELP CC(=O)N1CSC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370821662 489407811 /nfs/dbraw/zinc/40/78/11/489407811.db2.gz VPANTAWHTVIRKM-CVEARBPZSA-N 2 2 354.520 0.535 10 0 FCAELP CC(=O)N1CSC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370821662 489407813 /nfs/dbraw/zinc/40/78/13/489407813.db2.gz VPANTAWHTVIRKM-CVEARBPZSA-N 2 2 354.520 0.535 10 0 FCAELP C[N@@H+]1CCC[C@H](N2CC[NH+](CC(=O)N3CCO[C@H]4CCCC[C@H]43)CC2)C1 ZINC000363217831 489439551 /nfs/dbraw/zinc/43/95/51/489439551.db2.gz CDIMVVSBUQJXLF-OTWHNJEPSA-N 2 2 364.534 0.868 10 0 FCAELP C[N@H+]1CCC[C@H](N2CC[NH+](CC(=O)N3CCO[C@H]4CCCC[C@H]43)CC2)C1 ZINC000363217831 489439553 /nfs/dbraw/zinc/43/95/53/489439553.db2.gz CDIMVVSBUQJXLF-OTWHNJEPSA-N 2 2 364.534 0.868 10 0 FCAELP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1=O ZINC000371308680 489476003 /nfs/dbraw/zinc/47/60/03/489476003.db2.gz QTNWZYIQSHETNZ-QLFBSQMISA-N 2 2 359.474 0.716 10 0 FCAELP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1=O ZINC000371308680 489476004 /nfs/dbraw/zinc/47/60/04/489476004.db2.gz QTNWZYIQSHETNZ-QLFBSQMISA-N 2 2 359.474 0.716 10 0 FCAELP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1=O ZINC000371308680 489476006 /nfs/dbraw/zinc/47/60/06/489476006.db2.gz QTNWZYIQSHETNZ-QLFBSQMISA-N 2 2 359.474 0.716 10 0 FCAELP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1=O ZINC000371308680 489476008 /nfs/dbraw/zinc/47/60/08/489476008.db2.gz QTNWZYIQSHETNZ-QLFBSQMISA-N 2 2 359.474 0.716 10 0 FCAELP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000371837990 489516283 /nfs/dbraw/zinc/51/62/83/489516283.db2.gz BKYMZRTZVVHIGB-SJORKVTESA-N 2 2 354.495 0.603 10 0 FCAELP COCC[N@H+]1CC[C@@H](NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000371837990 489516286 /nfs/dbraw/zinc/51/62/86/489516286.db2.gz BKYMZRTZVVHIGB-SJORKVTESA-N 2 2 354.495 0.603 10 0 FCAELP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000426334647 489563316 /nfs/dbraw/zinc/56/33/16/489563316.db2.gz LLRNRNGQSQBJRL-GJZGRUSLSA-N 2 2 353.511 0.840 10 0 FCAELP C[C@@H]1CN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)[C@@H](C)C[N@@H+]1CCO ZINC000416292802 489578357 /nfs/dbraw/zinc/57/83/57/489578357.db2.gz JFDUHEHGFSVBQI-CVEARBPZSA-N 2 2 361.490 0.361 10 0 FCAELP C[C@@H]1CN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)[C@@H](C)C[N@H+]1CCO ZINC000416292802 489578358 /nfs/dbraw/zinc/57/83/58/489578358.db2.gz JFDUHEHGFSVBQI-CVEARBPZSA-N 2 2 361.490 0.361 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC[N@@H+]1CCO ZINC000427422422 489607164 /nfs/dbraw/zinc/60/71/64/489607164.db2.gz VINIEIMYBUSTPO-OAHLLOKOSA-N 2 2 362.474 0.254 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC[N@H+]1CCO ZINC000427422422 489607167 /nfs/dbraw/zinc/60/71/67/489607167.db2.gz VINIEIMYBUSTPO-OAHLLOKOSA-N 2 2 362.474 0.254 10 0 FCAELP C[C@@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C[N@@H+]1CCO ZINC000416663827 489623801 /nfs/dbraw/zinc/62/38/01/489623801.db2.gz MKTNIYHJYSITKH-CABCVRRESA-N 2 2 355.504 0.824 10 0 FCAELP C[C@@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C[N@H+]1CCO ZINC000416663827 489623803 /nfs/dbraw/zinc/62/38/03/489623803.db2.gz MKTNIYHJYSITKH-CABCVRRESA-N 2 2 355.504 0.824 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000417019822 489638459 /nfs/dbraw/zinc/63/84/59/489638459.db2.gz RHKLIAYUXHFCBW-OAHLLOKOSA-N 2 2 362.478 0.677 10 0 FCAELP C[C@@H](NC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)[C@H](C)[NH3+] ZINC000417304513 489647289 /nfs/dbraw/zinc/64/72/89/489647289.db2.gz ZFUAMXPLGUOPTD-LSDHHAIUSA-N 2 2 350.463 0.933 10 0 FCAELP C[C@H]([NH3+])[C@H](C)NC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000417304511 489647469 /nfs/dbraw/zinc/64/74/69/489647469.db2.gz ZFUAMXPLGUOPTD-GJZGRUSLSA-N 2 2 350.463 0.933 10 0 FCAELP O=C(NCC[C@H]1CCC[NH2+]C1)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000417704092 489661607 /nfs/dbraw/zinc/66/16/07/489661607.db2.gz KUNWTXPBQDELFS-MRXNPFEDSA-N 2 2 365.522 0.620 10 0 FCAELP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2CCS(C)(=O)=O)CC1 ZINC000428874701 489666610 /nfs/dbraw/zinc/66/66/10/489666610.db2.gz PQBZXPLTRUXBLD-INIZCTEOSA-N 2 2 359.536 0.876 10 0 FCAELP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2CCS(C)(=O)=O)CC1 ZINC000428874701 489666612 /nfs/dbraw/zinc/66/66/12/489666612.db2.gz PQBZXPLTRUXBLD-INIZCTEOSA-N 2 2 359.536 0.876 10 0 FCAELP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000418458141 489699990 /nfs/dbraw/zinc/69/99/90/489699990.db2.gz WNJOWYXDGULRDC-KRWDZBQOSA-N 2 2 361.490 0.882 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1c(Cl)cnn1C ZINC000429843243 489704136 /nfs/dbraw/zinc/70/41/36/489704136.db2.gz FXPMSOWIKIBOAZ-UHFFFAOYSA-N 2 2 363.915 0.720 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1c(Cl)cnn1C ZINC000429843243 489704141 /nfs/dbraw/zinc/70/41/41/489704141.db2.gz FXPMSOWIKIBOAZ-UHFFFAOYSA-N 2 2 363.915 0.720 10 0 FCAELP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCc2cn(C)c[nH+]2)CC1 ZINC000459182600 489721266 /nfs/dbraw/zinc/72/12/66/489721266.db2.gz QMCNEPOXXHFBMO-UHFFFAOYSA-N 2 2 350.467 0.158 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1cc(C(N)=O)co1 ZINC000430231613 489726590 /nfs/dbraw/zinc/72/65/90/489726590.db2.gz CNOXSGPYASZLQY-UHFFFAOYSA-N 2 2 351.451 0.546 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1cc(C(N)=O)co1 ZINC000430231613 489726594 /nfs/dbraw/zinc/72/65/94/489726594.db2.gz CNOXSGPYASZLQY-UHFFFAOYSA-N 2 2 351.451 0.546 10 0 FCAELP CC(C)C[C@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)C(=O)NCC[NH+](C)C ZINC000430253386 489727231 /nfs/dbraw/zinc/72/72/31/489727231.db2.gz DWIHDCCFZNPRPX-GJZGRUSLSA-N 2 2 364.494 0.590 10 0 FCAELP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418900109 489781926 /nfs/dbraw/zinc/78/19/26/489781926.db2.gz CPVSGHJQRAEBNM-XZJROXQQSA-N 2 2 366.412 0.647 10 0 FCAELP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418900109 489781932 /nfs/dbraw/zinc/78/19/32/489781932.db2.gz CPVSGHJQRAEBNM-XZJROXQQSA-N 2 2 366.412 0.647 10 0 FCAELP O=C(NCc1cn2ccccc2[nH+]1)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000418900227 489782467 /nfs/dbraw/zinc/78/24/67/489782467.db2.gz OZSDMKDPIMRJOF-MRXNPFEDSA-N 2 2 364.409 0.519 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418902060 489782789 /nfs/dbraw/zinc/78/27/89/489782789.db2.gz GPERNYGVPOVCHP-GLQYFDAESA-N 2 2 368.840 0.900 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418902060 489782792 /nfs/dbraw/zinc/78/27/92/489782792.db2.gz GPERNYGVPOVCHP-GLQYFDAESA-N 2 2 368.840 0.900 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000418902262 489782829 /nfs/dbraw/zinc/78/28/29/489782829.db2.gz GPERNYGVPOVCHP-NILFDRSVSA-N 2 2 368.840 0.900 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000418902262 489782831 /nfs/dbraw/zinc/78/28/31/489782831.db2.gz GPERNYGVPOVCHP-NILFDRSVSA-N 2 2 368.840 0.900 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)cc1 ZINC000418906250 489785082 /nfs/dbraw/zinc/78/50/82/489785082.db2.gz KSYFSNVZMVQYJI-SOUVJXGZSA-N 2 2 350.850 0.680 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)cc1 ZINC000418906250 489785083 /nfs/dbraw/zinc/78/50/83/489785083.db2.gz KSYFSNVZMVQYJI-SOUVJXGZSA-N 2 2 350.850 0.680 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418906523 489785265 /nfs/dbraw/zinc/78/52/65/489785265.db2.gz LANMRBHPVSFKJS-ZIAGYGMSSA-N 2 2 356.829 0.806 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418906523 489785270 /nfs/dbraw/zinc/78/52/70/489785270.db2.gz LANMRBHPVSFKJS-ZIAGYGMSSA-N 2 2 356.829 0.806 10 0 FCAELP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418913683 489788821 /nfs/dbraw/zinc/78/88/21/489788821.db2.gz SRGLSKCLNJEZRI-VCTAVGKDSA-N 2 2 354.401 0.537 10 0 FCAELP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418913683 489788826 /nfs/dbraw/zinc/78/88/26/489788826.db2.gz SRGLSKCLNJEZRI-VCTAVGKDSA-N 2 2 354.401 0.537 10 0 FCAELP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418916174 489789697 /nfs/dbraw/zinc/78/96/97/489789697.db2.gz WITHLDFNHWNYDC-VCTAVGKDSA-N 2 2 354.401 0.632 10 0 FCAELP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418916174 489789699 /nfs/dbraw/zinc/78/96/99/489789699.db2.gz WITHLDFNHWNYDC-VCTAVGKDSA-N 2 2 354.401 0.632 10 0 FCAELP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418940910 489797551 /nfs/dbraw/zinc/79/75/51/489797551.db2.gz JUYBUBTVERASCF-JSGCOSHPSA-N 2 2 350.488 0.337 10 0 FCAELP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418940910 489797556 /nfs/dbraw/zinc/79/75/56/489797556.db2.gz JUYBUBTVERASCF-JSGCOSHPSA-N 2 2 350.488 0.337 10 0 FCAELP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)C[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000475019387 489802100 /nfs/dbraw/zinc/80/21/00/489802100.db2.gz UEZYIMXTYXPSCV-DOTOQJQBSA-N 2 2 367.515 0.772 10 0 FCAELP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000475019387 489802103 /nfs/dbraw/zinc/80/21/03/489802103.db2.gz UEZYIMXTYXPSCV-DOTOQJQBSA-N 2 2 367.515 0.772 10 0 FCAELP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000419073728 489846518 /nfs/dbraw/zinc/84/65/18/489846518.db2.gz LERXVBJEXRHRAB-DAXOMENPSA-N 2 2 373.432 0.879 10 0 FCAELP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC[NH+]2CCC1CC2 ZINC000377105575 489852902 /nfs/dbraw/zinc/85/29/02/489852902.db2.gz NJRGRHBTDHGTGX-QGZVFWFLSA-N 2 2 354.520 0.684 10 0 FCAELP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000419123287 489866814 /nfs/dbraw/zinc/86/68/14/489866814.db2.gz YEVQAHBABXAQLA-GXTWGEPZSA-N 2 2 359.430 0.222 10 0 FCAELP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC2)s1 ZINC000419995828 489876387 /nfs/dbraw/zinc/87/63/87/489876387.db2.gz NWRCTXJYIFINQK-CYBMUJFWSA-N 2 2 352.504 0.808 10 0 FCAELP C[C@H](O)C[NH+]1CCN(CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000494468970 489892086 /nfs/dbraw/zinc/89/20/86/489892086.db2.gz SONXUUBGPJLECE-OALUTQOASA-N 2 2 374.529 0.890 10 0 FCAELP CCOC1CC(CNC(=O)N2CC[NH+]3CCC2CC3)([NH+]2CCOCC2)C1 ZINC000377376055 489894712 /nfs/dbraw/zinc/89/47/12/489894712.db2.gz MZTMVHCKFTZUHN-UHFFFAOYSA-N 2 2 366.506 0.746 10 0 FCAELP Cc1ccsc1[C@H](CO)[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000494630601 489900893 /nfs/dbraw/zinc/90/08/93/489900893.db2.gz KBQZHWVJJBVOHT-AWEZNQCLSA-N 2 2 355.504 0.907 10 0 FCAELP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000420099652 489911105 /nfs/dbraw/zinc/91/11/05/489911105.db2.gz BNJATOSNMWTQJQ-SOLBZPMBSA-N 2 2 358.486 0.834 10 0 FCAELP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000420099652 489911108 /nfs/dbraw/zinc/91/11/08/489911108.db2.gz BNJATOSNMWTQJQ-SOLBZPMBSA-N 2 2 358.486 0.834 10 0 FCAELP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000420097070 489911463 /nfs/dbraw/zinc/91/14/63/489911463.db2.gz HNDQRHWFOMCZFP-NVXWUHKLSA-N 2 2 374.485 0.454 10 0 FCAELP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C(=O)N(C)CC(=O)NC2CC2)CC1 ZINC000476815532 489917463 /nfs/dbraw/zinc/91/74/63/489917463.db2.gz CATUEQWPZXMAOH-OAHLLOKOSA-N 2 2 368.522 0.591 10 0 FCAELP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000477080189 489939566 /nfs/dbraw/zinc/93/95/66/489939566.db2.gz HAGDQLSHZBUPLB-MRXNPFEDSA-N 2 2 361.490 0.885 10 0 FCAELP COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000377683342 489941408 /nfs/dbraw/zinc/94/14/08/489941408.db2.gz XYPYIBSXVKQWKT-AEFFLSMTSA-N 3 2 367.538 0.565 10 0 FCAELP COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000377683342 489941411 /nfs/dbraw/zinc/94/14/11/489941411.db2.gz XYPYIBSXVKQWKT-AEFFLSMTSA-N 3 2 367.538 0.565 10 0 FCAELP COCC[NH+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377683342 489941416 /nfs/dbraw/zinc/94/14/16/489941416.db2.gz XYPYIBSXVKQWKT-AEFFLSMTSA-N 3 2 367.538 0.565 10 0 FCAELP COCC[NH+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377683342 489941421 /nfs/dbraw/zinc/94/14/21/489941421.db2.gz XYPYIBSXVKQWKT-AEFFLSMTSA-N 3 2 367.538 0.565 10 0 FCAELP CC[NH+]1CCN(CC(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000461970129 489948073 /nfs/dbraw/zinc/94/80/73/489948073.db2.gz JZCSOVVYOXXSRV-FGTMMUONSA-N 2 2 352.523 0.724 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)NCC[N@H+]3CCC[C@H](C)C3)CC2)cc[nH+]1 ZINC000556083423 491293358 /nfs/dbraw/zinc/29/33/58/491293358.db2.gz MRZJVHNJAGGLRE-HNNXBMFYSA-N 2 2 374.489 0.282 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)NCC[N@@H+]3CCC[C@H](C)C3)CC2)cc[nH+]1 ZINC000556083423 491293361 /nfs/dbraw/zinc/29/33/61/491293361.db2.gz 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COc1ccc([C@@H](C[NH3+])C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000530223845 490893586 /nfs/dbraw/zinc/89/35/86/490893586.db2.gz PXDRUSXAFAEGBG-KRWDZBQOSA-N 3 2 361.490 0.380 10 0 FCAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530242211 490895178 /nfs/dbraw/zinc/89/51/78/490895178.db2.gz LUIGYWPWWAHOHY-UHFFFAOYSA-N 3 2 369.473 0.719 10 0 FCAELP COc1c[nH+]ccc1N1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000530317290 490898925 /nfs/dbraw/zinc/89/89/25/490898925.db2.gz URMHHUBMUHNVTG-UHFFFAOYSA-N 2 2 360.458 0.994 10 0 FCAELP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000517214555 490899275 /nfs/dbraw/zinc/89/92/75/490899275.db2.gz QIOKYYQVHGXJOS-ZDUSSCGKSA-N 2 2 359.430 0.576 10 0 FCAELP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000517214555 490899277 /nfs/dbraw/zinc/89/92/77/490899277.db2.gz QIOKYYQVHGXJOS-ZDUSSCGKSA-N 2 2 359.430 0.576 10 0 FCAELP CCCC[N@H+](C)CCNC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000543043983 490919843 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10 0 FCAELP O=C(C[N@H+]1CCN2CCOC[C@@H]2C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000543555478 490936333 /nfs/dbraw/zinc/93/63/33/490936333.db2.gz SSBFMROQHSNDPV-FQEVSTJZSA-N 2 2 372.513 0.915 10 0 FCAELP CC(C)n1ccc(C[C@@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000543992512 490954549 /nfs/dbraw/zinc/95/45/49/490954549.db2.gz PCLIJTCWKOXEKS-SJLPKXTDSA-N 2 2 363.506 0.918 10 0 FCAELP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000544023572 490954970 /nfs/dbraw/zinc/95/49/70/490954970.db2.gz WNNCTTOOGPSUSS-KRWDZBQOSA-N 2 2 368.522 0.357 10 0 FCAELP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000544023572 490954972 /nfs/dbraw/zinc/95/49/72/490954972.db2.gz WNNCTTOOGPSUSS-KRWDZBQOSA-N 2 2 368.522 0.357 10 0 FCAELP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000544023574 490955251 /nfs/dbraw/zinc/95/52/51/490955251.db2.gz WNNCTTOOGPSUSS-QGZVFWFLSA-N 2 2 368.522 0.357 10 0 FCAELP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000544023574 490955252 /nfs/dbraw/zinc/95/52/52/490955252.db2.gz WNNCTTOOGPSUSS-QGZVFWFLSA-N 2 2 368.522 0.357 10 0 FCAELP Cc1cccn2cc(CC(=O)N3CC[NH+](CCC(=O)N(C)C)CC3)[nH+]c12 ZINC000531618399 490967230 /nfs/dbraw/zinc/96/72/30/490967230.db2.gz YYBSLHZVDHSIFF-UHFFFAOYSA-N 2 2 357.458 0.808 10 0 FCAELP COc1cccc(N2CCC[C@H](NC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])C2)c1 ZINC000519591611 490977823 /nfs/dbraw/zinc/97/78/23/490977823.db2.gz CKKWGZZIYCVLGF-DOTOQJQBSA-N 2 2 361.490 0.948 10 0 FCAELP COc1cccc(N2CCC[C@H](NC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])C2)c1 ZINC000519591611 490977824 /nfs/dbraw/zinc/97/78/24/490977824.db2.gz CKKWGZZIYCVLGF-DOTOQJQBSA-N 2 2 361.490 0.948 10 0 FCAELP Cc1nnc([C@H](C)[NH2+]CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)s1 ZINC000544759692 490979688 /nfs/dbraw/zinc/97/96/88/490979688.db2.gz PFMZDGXVCXXJOI-JSGCOSHPSA-N 2 2 355.508 0.970 10 0 FCAELP Cc1nnc([C@H](C)[NH2+]CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)s1 ZINC000544759692 490979690 /nfs/dbraw/zinc/97/96/90/490979690.db2.gz PFMZDGXVCXXJOI-JSGCOSHPSA-N 2 2 355.508 0.970 10 0 FCAELP C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000565333073 491370418 /nfs/dbraw/zinc/37/04/18/491370418.db2.gz VHKWSUJCRXBPRZ-CQSZACIVSA-N 2 2 360.462 0.102 10 0 FCAELP CSc1ccc(N2C[C@@H](C(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])CC2=O)cc1 ZINC000565362260 491371976 /nfs/dbraw/zinc/37/19/76/491371976.db2.gz XFFLDQNHTQRHKS-DZGCQCFKSA-N 2 2 362.499 0.863 10 0 FCAELP CSc1ccc(N2C[C@@H](C(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])CC2=O)cc1 ZINC000565362260 491371978 /nfs/dbraw/zinc/37/19/78/491371978.db2.gz XFFLDQNHTQRHKS-DZGCQCFKSA-N 2 2 362.499 0.863 10 0 FCAELP Cc1[nH+]ccn1CCNC(=O)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000565410348 491374819 /nfs/dbraw/zinc/37/48/19/491374819.db2.gz RYKNBGGSEBWYCR-UHFFFAOYSA-N 2 2 360.805 0.925 10 0 FCAELP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000557492863 491377928 /nfs/dbraw/zinc/37/79/28/491377928.db2.gz ICIJOAJVEYHXIJ-GJZGRUSLSA-N 2 2 363.462 0.343 10 0 FCAELP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000557492863 491377929 /nfs/dbraw/zinc/37/79/29/491377929.db2.gz ICIJOAJVEYHXIJ-GJZGRUSLSA-N 2 2 363.462 0.343 10 0 FCAELP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000557495588 491378274 /nfs/dbraw/zinc/37/82/74/491378274.db2.gz ZGTRQTYFMGAJGS-OAHLLOKOSA-N 2 2 363.462 0.343 10 0 FCAELP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000557495588 491378276 /nfs/dbraw/zinc/37/82/76/491378276.db2.gz ZGTRQTYFMGAJGS-OAHLLOKOSA-N 2 2 363.462 0.343 10 0 FCAELP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000557495588 491378277 /nfs/dbraw/zinc/37/82/77/491378277.db2.gz ZGTRQTYFMGAJGS-OAHLLOKOSA-N 2 2 363.462 0.343 10 0 FCAELP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000557495588 491378279 /nfs/dbraw/zinc/37/82/79/491378279.db2.gz ZGTRQTYFMGAJGS-OAHLLOKOSA-N 2 2 363.462 0.343 10 0 FCAELP O=C(NCc1[nH+]ccn1CC(F)(F)F)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000557612914 491387497 /nfs/dbraw/zinc/38/74/97/491387497.db2.gz HUARRXXDAAESGL-UHFFFAOYSA-N 2 2 373.379 0.758 10 0 FCAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000572832655 491396228 /nfs/dbraw/zinc/39/62/28/491396228.db2.gz VDJWQRPEHFFIHR-LMCOJAPRSA-N 2 2 372.513 0.942 10 0 FCAELP Cc1nc(N)c(CNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)c[nH+]1 ZINC000572963923 491404282 /nfs/dbraw/zinc/40/42/82/491404282.db2.gz SYJGFWVIEZIGAC-UHFFFAOYSA-N 2 2 355.446 0.591 10 0 FCAELP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)c1ccccc1 ZINC000573906164 491461831 /nfs/dbraw/zinc/46/18/31/491461831.db2.gz GISRWIPNXJEDRD-CVEARBPZSA-N 2 2 355.442 0.884 10 0 FCAELP C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000559383896 491469123 /nfs/dbraw/zinc/46/91/23/491469123.db2.gz SPLMPBIJXJXHFK-GJZGRUSLSA-N 2 2 354.495 0.155 10 0 FCAELP C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@H+]1C ZINC000559383896 491469124 /nfs/dbraw/zinc/46/91/24/491469124.db2.gz SPLMPBIJXJXHFK-GJZGRUSLSA-N 2 2 354.495 0.155 10 0 FCAELP CN(C(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000559669637 491490543 /nfs/dbraw/zinc/49/05/43/491490543.db2.gz MKBKAZHQZGZSJZ-QGZVFWFLSA-N 2 2 371.485 0.993 10 0 FCAELP CN(C(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000559669637 491490544 /nfs/dbraw/zinc/49/05/44/491490544.db2.gz MKBKAZHQZGZSJZ-QGZVFWFLSA-N 2 2 371.485 0.993 10 0 FCAELP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000567319188 491499124 /nfs/dbraw/zinc/49/91/24/491499124.db2.gz QXKXHHUZAGIMSH-HUUCEWRRSA-N 2 2 364.494 0.939 10 0 FCAELP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000567319188 491499126 /nfs/dbraw/zinc/49/91/26/491499126.db2.gz QXKXHHUZAGIMSH-HUUCEWRRSA-N 2 2 364.494 0.939 10 0 FCAELP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000567437017 491506520 /nfs/dbraw/zinc/50/65/20/491506520.db2.gz FXKFOKCGBKHZNW-JKSUJKDBSA-N 2 2 371.441 0.767 10 0 FCAELP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000560023379 491516003 /nfs/dbraw/zinc/51/60/03/491516003.db2.gz ARLGLSFWFLQFDN-SJORKVTESA-N 2 2 371.485 0.910 10 0 FCAELP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000560023379 491516004 /nfs/dbraw/zinc/51/60/04/491516004.db2.gz ARLGLSFWFLQFDN-SJORKVTESA-N 2 2 371.485 0.910 10 0 FCAELP O=C1CNC(=O)N1CC[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000574909458 491527279 /nfs/dbraw/zinc/52/72/79/491527279.db2.gz ZLTWMWGKZKTSNW-AWEZNQCLSA-N 2 2 359.430 0.687 10 0 FCAELP O=C1CNC(=O)N1CC[N@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000574909458 491527282 /nfs/dbraw/zinc/52/72/82/491527282.db2.gz ZLTWMWGKZKTSNW-AWEZNQCLSA-N 2 2 359.430 0.687 10 0 FCAELP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000575015202 491533580 /nfs/dbraw/zinc/53/35/80/491533580.db2.gz UYALHPZNGJHZBA-DLBZAZTESA-N 2 2 366.506 0.252 10 0 FCAELP O=C(Cn1cnnn1)N1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000575027698 491534513 /nfs/dbraw/zinc/53/45/13/491534513.db2.gz HINPUVHFLHVNPS-UHFFFAOYSA-N 2 2 358.431 0.265 10 0 FCAELP CCOC(=O)C1(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCOCC1 ZINC000560534976 491544425 /nfs/dbraw/zinc/54/44/25/491544425.db2.gz RKVRWJGRKIRAJZ-UHFFFAOYSA-N 2 2 355.479 0.489 10 0 FCAELP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000568164843 491556947 /nfs/dbraw/zinc/55/69/47/491556947.db2.gz BPNMUTIBROXXFK-IRXDYDNUSA-N 2 2 364.490 0.980 10 0 FCAELP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000568164843 491556948 /nfs/dbraw/zinc/55/69/48/491556948.db2.gz BPNMUTIBROXXFK-IRXDYDNUSA-N 2 2 364.490 0.980 10 0 FCAELP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000568164843 491556950 /nfs/dbraw/zinc/55/69/50/491556950.db2.gz BPNMUTIBROXXFK-IRXDYDNUSA-N 2 2 364.490 0.980 10 0 FCAELP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000568164843 491556952 /nfs/dbraw/zinc/55/69/52/491556952.db2.gz BPNMUTIBROXXFK-IRXDYDNUSA-N 2 2 364.490 0.980 10 0 FCAELP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000561173874 491580104 /nfs/dbraw/zinc/58/01/04/491580104.db2.gz COHNTFHXJVVRJZ-MSOLQXFVSA-N 2 2 368.547 0.979 10 0 FCAELP CC[NH+]1CCN(CC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000673669663 493356476 /nfs/dbraw/zinc/35/64/76/493356476.db2.gz LYUKAGBUDDRPMR-GOSISDBHSA-N 3 2 351.539 0.251 10 0 FCAELP CC[NH+]1CCN(CC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000673669663 493356481 /nfs/dbraw/zinc/35/64/81/493356481.db2.gz LYUKAGBUDDRPMR-GOSISDBHSA-N 3 2 351.539 0.251 10 0 FCAELP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000568881531 491616946 /nfs/dbraw/zinc/61/69/46/491616946.db2.gz WAIYFDCEDYIUCE-ZIAGYGMSSA-N 2 2 350.488 0.844 10 0 FCAELP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000568881531 491616949 /nfs/dbraw/zinc/61/69/49/491616949.db2.gz WAIYFDCEDYIUCE-ZIAGYGMSSA-N 2 2 350.488 0.844 10 0 FCAELP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000577503234 491626744 /nfs/dbraw/zinc/62/67/44/491626744.db2.gz NUAZRPDGIFAGJX-SFHVURJKSA-N 3 2 370.607 0.936 10 0 FCAELP C[NH+](C)Cc1cc(CNC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)ccc1F ZINC000562012453 491648211 /nfs/dbraw/zinc/64/82/11/491648211.db2.gz ITEITRONVRSKFE-OAHLLOKOSA-N 2 2 373.432 0.831 10 0 FCAELP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000578426986 491676990 /nfs/dbraw/zinc/67/69/90/491676990.db2.gz AHFDJMUNLQNMSK-DZGCQCFKSA-N 2 2 350.488 0.507 10 0 FCAELP COc1cccc([C@@H]2[C@H](NC(=O)CN3CC[NH2+]CC3=O)CC[N@@H+]2C2CC2)c1 ZINC000579227095 491693510 /nfs/dbraw/zinc/69/35/10/491693510.db2.gz LXUYYKOGVQMUQQ-YLJYHZDGSA-N 2 2 372.469 0.521 10 0 FCAELP COc1cccc([C@@H]2[C@H](NC(=O)CN3CC[NH2+]CC3=O)CC[N@H+]2C2CC2)c1 ZINC000579227095 491693511 /nfs/dbraw/zinc/69/35/11/491693511.db2.gz LXUYYKOGVQMUQQ-YLJYHZDGSA-N 2 2 372.469 0.521 10 0 FCAELP C[C@]1(F)C[NH2+]CCN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000579332197 491695524 /nfs/dbraw/zinc/69/55/24/491695524.db2.gz QBFUXWWVQUSDAN-KRWDZBQOSA-N 2 2 351.426 0.761 10 0 FCAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000579893256 491708220 /nfs/dbraw/zinc/70/82/20/491708220.db2.gz YHSUXMCYVKWYDH-SJORKVTESA-N 2 2 359.474 0.135 10 0 FCAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000579893256 491708221 /nfs/dbraw/zinc/70/82/21/491708221.db2.gz YHSUXMCYVKWYDH-SJORKVTESA-N 2 2 359.474 0.135 10 0 FCAELP Cc1c(C[NH+](C)CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cnn1C ZINC000581983215 491792891 /nfs/dbraw/zinc/79/28/91/491792891.db2.gz MWRRTEZXRRGUSK-QGZVFWFLSA-N 2 2 351.495 0.633 10 0 FCAELP Cc1c(C[NH+](C)CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cnn1C ZINC000581983215 491792892 /nfs/dbraw/zinc/79/28/92/491792892.db2.gz MWRRTEZXRRGUSK-QGZVFWFLSA-N 2 2 351.495 0.633 10 0 FCAELP Cc1c(C[N@@H+](C)CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)cnn1C ZINC000581983215 491792893 /nfs/dbraw/zinc/79/28/93/491792893.db2.gz MWRRTEZXRRGUSK-QGZVFWFLSA-N 2 2 351.495 0.633 10 0 FCAELP Cc1c(C[N@H+](C)CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)cnn1C ZINC000581983215 491792894 /nfs/dbraw/zinc/79/28/94/491792894.db2.gz MWRRTEZXRRGUSK-QGZVFWFLSA-N 2 2 351.495 0.633 10 0 FCAELP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000583137107 491838799 /nfs/dbraw/zinc/83/87/99/491838799.db2.gz QOMARKQACSVOAM-LSDHHAIUSA-N 2 2 362.478 0.647 10 0 FCAELP CN(C[C@@H]1CCC[N@H+]1C)C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000583137107 491838800 /nfs/dbraw/zinc/83/88/00/491838800.db2.gz QOMARKQACSVOAM-LSDHHAIUSA-N 2 2 362.478 0.647 10 0 FCAELP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000583214920 491840492 /nfs/dbraw/zinc/84/04/92/491840492.db2.gz KHQULTXFKPDCBA-SJPCQFCGSA-N 2 2 374.489 0.138 10 0 FCAELP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000583214920 491840493 /nfs/dbraw/zinc/84/04/93/491840493.db2.gz KHQULTXFKPDCBA-SJPCQFCGSA-N 2 2 374.489 0.138 10 0 FCAELP COCC[NH2+]C1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000583819782 491852625 /nfs/dbraw/zinc/85/26/25/491852625.db2.gz KBDOHOXOJNTYPF-UHFFFAOYSA-N 2 2 361.490 0.431 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000584021332 491856892 /nfs/dbraw/zinc/85/68/92/491856892.db2.gz POAZBJLTSHKXSZ-INIZCTEOSA-N 2 2 371.485 0.805 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000584021332 491856893 /nfs/dbraw/zinc/85/68/93/491856893.db2.gz POAZBJLTSHKXSZ-INIZCTEOSA-N 2 2 371.485 0.805 10 0 FCAELP COC(=O)[C@H]1C[N@@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)Cc2ccccc21 ZINC000600884351 491888046 /nfs/dbraw/zinc/88/80/46/491888046.db2.gz FBDJAWGRLQMBHS-HOTGVXAUSA-N 2 2 359.426 0.448 10 0 FCAELP COC(=O)[C@H]1C[N@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)Cc2ccccc21 ZINC000600884351 491888047 /nfs/dbraw/zinc/88/80/47/491888047.db2.gz FBDJAWGRLQMBHS-HOTGVXAUSA-N 2 2 359.426 0.448 10 0 FCAELP COC(=O)[C@H]1CN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC[N@H+](C)C1 ZINC000601630704 491939939 /nfs/dbraw/zinc/93/99/39/491939939.db2.gz DLZMBQYLMUGHGQ-MRXNPFEDSA-N 2 2 356.426 0.978 10 0 FCAELP COC(=O)[C@H]1CN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+](C)C1 ZINC000601630704 491939941 /nfs/dbraw/zinc/93/99/41/491939941.db2.gz DLZMBQYLMUGHGQ-MRXNPFEDSA-N 2 2 356.426 0.978 10 0 FCAELP COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000595659623 491946483 /nfs/dbraw/zinc/94/64/83/491946483.db2.gz OVHKRNZSYAHXHY-IJEWVQPXSA-N 2 2 362.430 0.039 10 0 FCAELP COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000595669402 491947902 /nfs/dbraw/zinc/94/79/02/491947902.db2.gz IFYMAEFWJAWZOY-WMLDXEAASA-N 2 2 362.430 0.040 10 0 FCAELP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000595947789 491964012 /nfs/dbraw/zinc/96/40/12/491964012.db2.gz HYCNTCMSGSOQSS-SJORKVTESA-N 2 2 362.474 0.199 10 0 FCAELP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000595947789 491964014 /nfs/dbraw/zinc/96/40/14/491964014.db2.gz HYCNTCMSGSOQSS-SJORKVTESA-N 2 2 362.474 0.199 10 0 FCAELP CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602195904 491967432 /nfs/dbraw/zinc/96/74/32/491967432.db2.gz PEDGQNPCFPISTL-NVXWUHKLSA-N 2 2 350.507 0.918 10 0 FCAELP CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602195904 491967433 /nfs/dbraw/zinc/96/74/33/491967433.db2.gz PEDGQNPCFPISTL-NVXWUHKLSA-N 2 2 350.507 0.918 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cn3cnc4ccccc4c3=O)C2)CC1 ZINC000602195224 491967515 /nfs/dbraw/zinc/96/75/15/491967515.db2.gz MKOPQWOUXDOROP-OAHLLOKOSA-N 2 2 369.469 0.681 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cn3cnc4ccccc4c3=O)C2)CC1 ZINC000602195224 491967517 /nfs/dbraw/zinc/96/75/17/491967517.db2.gz MKOPQWOUXDOROP-OAHLLOKOSA-N 2 2 369.469 0.681 10 0 FCAELP CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)Cn1cc[nH+]c1 ZINC000614861392 492061298 /nfs/dbraw/zinc/06/12/98/492061298.db2.gz OCMMVTHAAIMZGA-UHFFFAOYSA-N 2 2 369.425 0.570 10 0 FCAELP CN(CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)Cn1cc[nH+]c1 ZINC000614861392 492061300 /nfs/dbraw/zinc/06/13/00/492061300.db2.gz OCMMVTHAAIMZGA-UHFFFAOYSA-N 2 2 369.425 0.570 10 0 FCAELP CC1(C)C[NH+](CC(=O)N[C@]2(C)CCN(C(=O)C[NH+]3CC(C)(C)C3)C2)C1 ZINC000614984995 492067549 /nfs/dbraw/zinc/06/75/49/492067549.db2.gz PIJUKCBELMRGCO-LJQANCHMSA-N 2 2 350.507 0.777 10 0 FCAELP O=C(NCCC[NH+]1CCCC1)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000606626688 492124839 /nfs/dbraw/zinc/12/48/39/492124839.db2.gz YLMXOFKLWRZQDD-UHFFFAOYSA-N 2 2 365.522 0.716 10 0 FCAELP CCOC(=O)C[C@@H](O)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000599376045 492165286 /nfs/dbraw/zinc/16/52/86/492165286.db2.gz CMIOWUFKJFGTDB-IEBWSBKVSA-N 2 2 350.459 0.869 10 0 FCAELP CCOC(=O)C[C@@H](O)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000599376045 492165288 /nfs/dbraw/zinc/16/52/88/492165288.db2.gz CMIOWUFKJFGTDB-IEBWSBKVSA-N 2 2 350.459 0.869 10 0 FCAELP CCOC(=O)C[C@@H](O)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000599376045 492165291 /nfs/dbraw/zinc/16/52/91/492165291.db2.gz CMIOWUFKJFGTDB-IEBWSBKVSA-N 2 2 350.459 0.869 10 0 FCAELP CCOC(=O)C[C@@H](O)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000599376045 492165294 /nfs/dbraw/zinc/16/52/94/492165294.db2.gz CMIOWUFKJFGTDB-IEBWSBKVSA-N 2 2 350.459 0.869 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(S(N)(=O)=O)ccc1O ZINC000617502477 492172030 /nfs/dbraw/zinc/17/20/30/492172030.db2.gz QMJTTYHXXPHTKP-LBPRGKRZSA-N 2 2 372.491 0.041 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(S(N)(=O)=O)ccc1O ZINC000617502477 492172032 /nfs/dbraw/zinc/17/20/32/492172032.db2.gz QMJTTYHXXPHTKP-LBPRGKRZSA-N 2 2 372.491 0.041 10 0 FCAELP C[C@@H]1C[N@H+](CCNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)[C@H](C)CO1 ZINC000617734755 492186262 /nfs/dbraw/zinc/18/62/62/492186262.db2.gz HHBCFAPMSSFVRU-HZPDHXFCSA-N 2 2 361.490 0.672 10 0 FCAELP C[C@@H]1C[N@@H+](CCNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)[C@H](C)CO1 ZINC000617734755 492186264 /nfs/dbraw/zinc/18/62/64/492186264.db2.gz HHBCFAPMSSFVRU-HZPDHXFCSA-N 2 2 361.490 0.672 10 0 FCAELP CCS(=O)(=O)N1CCC[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000617767296 492190673 /nfs/dbraw/zinc/19/06/73/492190673.db2.gz NSGPPTYBYNVUHZ-OAHLLOKOSA-N 2 2 362.540 0.048 10 0 FCAELP CCS(=O)(=O)N1CCC[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000617767296 492190675 /nfs/dbraw/zinc/19/06/75/492190675.db2.gz NSGPPTYBYNVUHZ-OAHLLOKOSA-N 2 2 362.540 0.048 10 0 FCAELP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000608776914 492192583 /nfs/dbraw/zinc/19/25/83/492192583.db2.gz ZRSUJJPVDBXYGZ-OAHLLOKOSA-N 2 2 361.446 0.336 10 0 FCAELP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000608776914 492192586 /nfs/dbraw/zinc/19/25/86/492192586.db2.gz ZRSUJJPVDBXYGZ-OAHLLOKOSA-N 2 2 361.446 0.336 10 0 FCAELP COC(=O)[C@@H]1C[C@@H](C)[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC000599687984 492199568 /nfs/dbraw/zinc/19/95/68/492199568.db2.gz AORGOEVRVXBXIN-MUJYYYPQSA-N 2 2 369.506 0.875 10 0 FCAELP COC(=O)[C@@H]1C[C@@H](C)[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC000599687984 492199569 /nfs/dbraw/zinc/19/95/69/492199569.db2.gz AORGOEVRVXBXIN-MUJYYYPQSA-N 2 2 369.506 0.875 10 0 FCAELP Cc1cc(NCCNC(=O)C(=O)NCC2([NH3+])CCCC2)nc(C(C)C)[nH+]1 ZINC000627427024 492291742 /nfs/dbraw/zinc/29/17/42/492291742.db2.gz RDPVLZZQXBOSMV-UHFFFAOYSA-N 2 2 362.478 0.824 10 0 FCAELP O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654358014 492294176 /nfs/dbraw/zinc/29/41/76/492294176.db2.gz RKWYFHNBOINQES-OTWHNJEPSA-N 2 2 374.485 0.520 10 0 FCAELP O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654358014 492294179 /nfs/dbraw/zinc/29/41/79/492294179.db2.gz RKWYFHNBOINQES-OTWHNJEPSA-N 2 2 374.485 0.520 10 0 FCAELP C[C@H](CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654417402 492300284 /nfs/dbraw/zinc/30/02/84/492300284.db2.gz OMPKHFDHHQXFBW-OAGGEKHMSA-N 2 2 356.511 0.894 10 0 FCAELP C[C@H](CNC(=O)NCC[N@H+]1CCOC(C)(C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654417402 492300285 /nfs/dbraw/zinc/30/02/85/492300285.db2.gz OMPKHFDHHQXFBW-OAGGEKHMSA-N 2 2 356.511 0.894 10 0 FCAELP C[C@H](CNC(=O)NCC[NH+]1CCOC(C)(C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654417402 492300288 /nfs/dbraw/zinc/30/02/88/492300288.db2.gz OMPKHFDHHQXFBW-OAGGEKHMSA-N 2 2 356.511 0.894 10 0 FCAELP C[C@H](CNC(=O)NCC[NH+]1CCOC(C)(C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654417402 492300290 /nfs/dbraw/zinc/30/02/90/492300290.db2.gz OMPKHFDHHQXFBW-OAGGEKHMSA-N 2 2 356.511 0.894 10 0 FCAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000627456843 492303079 /nfs/dbraw/zinc/30/30/79/492303079.db2.gz ZIRRAYGSOIHWKW-UONOGXRCSA-N 2 2 362.478 0.693 10 0 FCAELP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C[NH2+]1 ZINC000627484076 492317790 /nfs/dbraw/zinc/31/77/90/492317790.db2.gz QKUWNGAYXLXMOQ-HIFRSBDPSA-N 2 2 350.488 0.649 10 0 FCAELP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000627488845 492320261 /nfs/dbraw/zinc/32/02/61/492320261.db2.gz KHVAYUAYMLQACB-CQSZACIVSA-N 2 2 368.503 0.435 10 0 FCAELP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000620724215 492327324 /nfs/dbraw/zinc/32/73/24/492327324.db2.gz XVRCXJZXHHCNCV-VQTJNVASSA-N 2 2 371.529 0.309 10 0 FCAELP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000620724215 492327328 /nfs/dbraw/zinc/32/73/28/492327328.db2.gz XVRCXJZXHHCNCV-VQTJNVASSA-N 2 2 371.529 0.309 10 0 FCAELP CN1CC[NH+](Cc2ccccc2)[C@@H](CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000620724215 492327330 /nfs/dbraw/zinc/32/73/30/492327330.db2.gz XVRCXJZXHHCNCV-VQTJNVASSA-N 2 2 371.529 0.309 10 0 FCAELP CN1CC[NH+](Cc2ccccc2)[C@@H](CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000620724215 492327332 /nfs/dbraw/zinc/32/73/32/492327332.db2.gz XVRCXJZXHHCNCV-VQTJNVASSA-N 2 2 371.529 0.309 10 0 FCAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCC(=O)NCC[NH+]1CCCCCC1)CC2 ZINC000627513381 492328657 /nfs/dbraw/zinc/32/86/57/492328657.db2.gz BJODXAVRNPPYDV-INIZCTEOSA-N 2 2 361.490 0.862 10 0 FCAELP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000620724214 492328853 /nfs/dbraw/zinc/32/88/53/492328853.db2.gz XVRCXJZXHHCNCV-UXHICEINSA-N 2 2 371.529 0.309 10 0 FCAELP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000620724214 492328856 /nfs/dbraw/zinc/32/88/56/492328856.db2.gz XVRCXJZXHHCNCV-UXHICEINSA-N 2 2 371.529 0.309 10 0 FCAELP CN1CC[NH+](Cc2ccccc2)[C@H](CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000620724214 492328857 /nfs/dbraw/zinc/32/88/57/492328857.db2.gz XVRCXJZXHHCNCV-UXHICEINSA-N 2 2 371.529 0.309 10 0 FCAELP CN1CC[NH+](Cc2ccccc2)[C@H](CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000620724214 492328861 /nfs/dbraw/zinc/32/88/61/492328861.db2.gz XVRCXJZXHHCNCV-UXHICEINSA-N 2 2 371.529 0.309 10 0 FCAELP 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O=C(NC[C@@H]1C[NH+](Cc2ccncc2)CCO1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000623719464 492585737 /nfs/dbraw/zinc/58/57/37/492585737.db2.gz WBKTXBVHWUHXLJ-SJLPKXTDSA-N 2 2 359.474 0.818 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656316203 492588672 /nfs/dbraw/zinc/58/86/72/492588672.db2.gz PZJOXBWDHCTJIU-DGXTUMSLSA-N 2 2 354.495 0.199 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656316203 492588674 /nfs/dbraw/zinc/58/86/74/492588674.db2.gz PZJOXBWDHCTJIU-DGXTUMSLSA-N 2 2 354.495 0.199 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656316203 492588675 /nfs/dbraw/zinc/58/86/75/492588675.db2.gz PZJOXBWDHCTJIU-DGXTUMSLSA-N 2 2 354.495 0.199 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656316203 492588677 /nfs/dbraw/zinc/58/86/77/492588677.db2.gz PZJOXBWDHCTJIU-DGXTUMSLSA-N 2 2 354.495 0.199 10 0 FCAELP Cn1c2cc(C[NH2+]Cc3cnc(N4CC[NH+](C)CC4)nc3)ccc2oc1=O ZINC000623742924 492590447 /nfs/dbraw/zinc/59/04/47/492590447.db2.gz GEVXJLHVLBZJTA-UHFFFAOYSA-N 2 2 368.441 0.963 10 0 FCAELP C[C@H](CNC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656336988 492601118 /nfs/dbraw/zinc/60/11/18/492601118.db2.gz FVQQXUKXLRROSZ-NCOADZHNSA-N 2 2 368.522 0.448 10 0 FCAELP C[C@H](CNC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656336988 492601122 /nfs/dbraw/zinc/60/11/22/492601122.db2.gz FVQQXUKXLRROSZ-NCOADZHNSA-N 2 2 368.522 0.448 10 0 FCAELP C[C@H](CNC(=O)C(=O)NCC[C@@H]1CCC[NH+](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656336988 492601125 /nfs/dbraw/zinc/60/11/25/492601125.db2.gz FVQQXUKXLRROSZ-NCOADZHNSA-N 2 2 368.522 0.448 10 0 FCAELP C[C@H](CNC(=O)C(=O)NCC[C@@H]1CCC[NH+](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656336988 492601126 /nfs/dbraw/zinc/60/11/26/492601126.db2.gz FVQQXUKXLRROSZ-NCOADZHNSA-N 2 2 368.522 0.448 10 0 FCAELP 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ZINC000629438667 492631091 /nfs/dbraw/zinc/63/10/91/492631091.db2.gz LMUMRKJZTZEOMO-SJLPKXTDSA-N 2 2 361.490 0.035 10 0 FCAELP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)C1 ZINC000624307095 492637641 /nfs/dbraw/zinc/63/76/41/492637641.db2.gz YZVKMPLRPXWNIM-FGTMMUONSA-N 2 2 361.490 0.922 10 0 FCAELP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)C1 ZINC000624307095 492637644 /nfs/dbraw/zinc/63/76/44/492637644.db2.gz YZVKMPLRPXWNIM-FGTMMUONSA-N 2 2 361.490 0.922 10 0 FCAELP CC(C)[N@H+](C)C[C@H](O)CN1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000656698014 492643488 /nfs/dbraw/zinc/64/34/88/492643488.db2.gz XXJDHBBHKCXKAA-WMZOPIPTSA-N 2 2 354.539 0.752 10 0 FCAELP CC(C)[N@@H+](C)C[C@H](O)CN1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000656698014 492643489 /nfs/dbraw/zinc/64/34/89/492643489.db2.gz XXJDHBBHKCXKAA-WMZOPIPTSA-N 2 2 354.539 0.752 10 0 FCAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650588095 492652563 /nfs/dbraw/zinc/65/25/63/492652563.db2.gz AZUXEUYQKPHPLS-UHFFFAOYSA-N 2 2 372.473 0.760 10 0 FCAELP Cc1cc(NCC[NH2+]CC2(O)CCS(=O)(=O)CC2)nc(C(C)C)[nH+]1 ZINC000629593045 492657215 /nfs/dbraw/zinc/65/72/15/492657215.db2.gz CRJDAOMJTIXWEL-UHFFFAOYSA-N 2 2 356.492 0.850 10 0 FCAELP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000629606643 492658621 /nfs/dbraw/zinc/65/86/21/492658621.db2.gz KQMCCNHDQJVVLF-ROUUACIJSA-N 2 2 361.486 0.830 10 0 FCAELP COCCOc1cc2c(cc1C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)OCO2 ZINC000629653043 492661579 /nfs/dbraw/zinc/66/15/79/492661579.db2.gz LDHOFUBYRPJGEZ-UHFFFAOYSA-N 2 2 362.386 0.685 10 0 FCAELP C[C@H]1CCN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C[C@@H]1n1cc[nH+]c1 ZINC000629802749 492679936 /nfs/dbraw/zinc/67/99/36/492679936.db2.gz PESWUBGYCICTHI-STEAMIEHSA-N 2 2 359.474 0.751 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000657092585 492715581 /nfs/dbraw/zinc/71/55/81/492715581.db2.gz JYQIHGYPGMIWAD-UHFFFAOYSA-N 2 2 357.476 0.620 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000657092585 492715586 /nfs/dbraw/zinc/71/55/86/492715586.db2.gz JYQIHGYPGMIWAD-UHFFFAOYSA-N 2 2 357.476 0.620 10 0 FCAELP CN1c2ccccc2C[C@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C1=O ZINC000657574779 492761660 /nfs/dbraw/zinc/76/16/60/492761660.db2.gz NJPXOKPJNWPNFU-KRWDZBQOSA-N 2 2 366.469 0.906 10 0 FCAELP CC(C)[C@@H](C[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1)N1CC[NH+](C)CC1 ZINC000631038630 492793636 /nfs/dbraw/zinc/79/36/36/492793636.db2.gz FAHWXKNUHDTWMU-FUHWJXTLSA-N 2 2 350.511 0.676 10 0 FCAELP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000631059520 492796015 /nfs/dbraw/zinc/79/60/15/492796015.db2.gz NMBCBXJUCSIZMJ-NVXWUHKLSA-N 2 2 364.494 0.347 10 0 FCAELP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000631059520 492796020 /nfs/dbraw/zinc/79/60/20/492796020.db2.gz NMBCBXJUCSIZMJ-NVXWUHKLSA-N 2 2 364.494 0.347 10 0 FCAELP Cn1nc2c(c1C[NH2+][C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CCCC2 ZINC000631076517 492797016 /nfs/dbraw/zinc/79/70/16/492797016.db2.gz LSUSHFADJCLJTL-OAHLLOKOSA-N 2 2 361.490 0.322 10 0 FCAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000651643184 492799221 /nfs/dbraw/zinc/79/92/21/492799221.db2.gz VEJTZVBBPAXECF-UHFFFAOYSA-N 2 2 362.474 0.448 10 0 FCAELP CC(C)C[C@@]1(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCNC1=O ZINC000631258863 492806990 /nfs/dbraw/zinc/80/69/90/492806990.db2.gz CVYWHKSSZKFIJL-KXBFYZLASA-N 2 2 350.507 0.824 10 0 FCAELP CC(C)C[C@@]1(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCNC1=O ZINC000631258863 492806992 /nfs/dbraw/zinc/80/69/92/492806992.db2.gz CVYWHKSSZKFIJL-KXBFYZLASA-N 2 2 350.507 0.824 10 0 FCAELP C[N@@H+]1CCO[C@@H](CS(=O)(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000631719105 492840374 /nfs/dbraw/zinc/84/03/74/492840374.db2.gz VCRBQCGUWVYRQD-QGZVFWFLSA-N 2 2 353.488 0.295 10 0 FCAELP C[N@H+]1CCO[C@@H](CS(=O)(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000631719105 492840379 /nfs/dbraw/zinc/84/03/79/492840379.db2.gz VCRBQCGUWVYRQD-QGZVFWFLSA-N 2 2 353.488 0.295 10 0 FCAELP C[NH+]1CCO[C@@H](CS(=O)(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000631719105 492840383 /nfs/dbraw/zinc/84/03/83/492840383.db2.gz VCRBQCGUWVYRQD-QGZVFWFLSA-N 2 2 353.488 0.295 10 0 FCAELP C[NH+]1CCO[C@@H](CS(=O)(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000631719105 492840385 /nfs/dbraw/zinc/84/03/85/492840385.db2.gz VCRBQCGUWVYRQD-QGZVFWFLSA-N 2 2 353.488 0.295 10 0 FCAELP CN1CCO[C@H](CS(=O)(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000631724661 492840987 /nfs/dbraw/zinc/84/09/87/492840987.db2.gz BXYLASAPFRNYDD-KRWDZBQOSA-N 2 2 364.471 0.681 10 0 FCAELP C[N@@H+]1CCO[C@H](CS(=O)(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000631724661 492840992 /nfs/dbraw/zinc/84/09/92/492840992.db2.gz BXYLASAPFRNYDD-KRWDZBQOSA-N 2 2 364.471 0.681 10 0 FCAELP C[N@H+]1CCO[C@H](CS(=O)(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000631724661 492840996 /nfs/dbraw/zinc/84/09/96/492840996.db2.gz BXYLASAPFRNYDD-KRWDZBQOSA-N 2 2 364.471 0.681 10 0 FCAELP CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC000658117873 492841104 /nfs/dbraw/zinc/84/11/04/492841104.db2.gz WVXGFUBAADYOHX-DFQSSKMNSA-N 2 2 369.550 0.939 10 0 FCAELP CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000658117873 492841109 /nfs/dbraw/zinc/84/11/09/492841109.db2.gz WVXGFUBAADYOHX-DFQSSKMNSA-N 2 2 369.550 0.939 10 0 FCAELP C[C@H](CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)[NH+]1CCc2sccc2C1 ZINC000631728134 492842882 /nfs/dbraw/zinc/84/28/82/492842882.db2.gz VRAKZPAAWOCEMP-UKRRQHHQSA-N 2 2 373.544 0.745 10 0 FCAELP C[C@H](CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)[NH+]1CCc2sccc2C1 ZINC000631728134 492842885 /nfs/dbraw/zinc/84/28/85/492842885.db2.gz VRAKZPAAWOCEMP-UKRRQHHQSA-N 2 2 373.544 0.745 10 0 FCAELP C[C@H](CNS(=O)(=O)C[C@H]1C[NH+](C)CCO1)[N@@H+]1CCc2sccc2C1 ZINC000631728134 492842890 /nfs/dbraw/zinc/84/28/90/492842890.db2.gz VRAKZPAAWOCEMP-UKRRQHHQSA-N 2 2 373.544 0.745 10 0 FCAELP C[C@H](CNS(=O)(=O)C[C@H]1C[NH+](C)CCO1)[N@H+]1CCc2sccc2C1 ZINC000631728134 492842892 /nfs/dbraw/zinc/84/28/92/492842892.db2.gz VRAKZPAAWOCEMP-UKRRQHHQSA-N 2 2 373.544 0.745 10 0 FCAELP C[NH+](C)[C@H](CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)c1ccc(F)cc1 ZINC000631776686 492850614 /nfs/dbraw/zinc/85/06/14/492850614.db2.gz VKNFQUZIDUNENY-HZPDHXFCSA-N 2 2 359.467 0.678 10 0 FCAELP C[NH+](C)[C@H](CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)c1ccc(F)cc1 ZINC000631776686 492850617 /nfs/dbraw/zinc/85/06/17/492850617.db2.gz VKNFQUZIDUNENY-HZPDHXFCSA-N 2 2 359.467 0.678 10 0 FCAELP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)C[C@H]2C[NH+](C)CCO2)C1 ZINC000631784994 492852015 /nfs/dbraw/zinc/85/20/15/492852015.db2.gz JVGBTDYPFWDGTN-YYIAUSFCSA-N 2 2 359.536 0.984 10 0 FCAELP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(S(=O)(=O)C[C@H]2C[NH+](C)CCO2)C1 ZINC000631784994 492852018 /nfs/dbraw/zinc/85/20/18/492852018.db2.gz JVGBTDYPFWDGTN-YYIAUSFCSA-N 2 2 359.536 0.984 10 0 FCAELP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)C1 ZINC000631784994 492852020 /nfs/dbraw/zinc/85/20/20/492852020.db2.gz JVGBTDYPFWDGTN-YYIAUSFCSA-N 2 2 359.536 0.984 10 0 FCAELP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)C1 ZINC000631784994 492852024 /nfs/dbraw/zinc/85/20/24/492852024.db2.gz JVGBTDYPFWDGTN-YYIAUSFCSA-N 2 2 359.536 0.984 10 0 FCAELP Cc1nn(C)c(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1C ZINC000658335793 492861722 /nfs/dbraw/zinc/86/17/22/492861722.db2.gz GQXTWKFOJIPUHJ-LBPRGKRZSA-N 2 2 352.483 0.364 10 0 FCAELP Cc1nn(C)c(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1C ZINC000658335793 492861727 /nfs/dbraw/zinc/86/17/27/492861727.db2.gz GQXTWKFOJIPUHJ-LBPRGKRZSA-N 2 2 352.483 0.364 10 0 FCAELP CC(C)c1ncc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cn1 ZINC000658338815 492861821 /nfs/dbraw/zinc/86/18/21/492861821.db2.gz MBVFMODXMPEEGQ-AWEZNQCLSA-N 2 2 364.494 0.927 10 0 FCAELP CC(C)c1ncc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000658338815 492861825 /nfs/dbraw/zinc/86/18/25/492861825.db2.gz MBVFMODXMPEEGQ-AWEZNQCLSA-N 2 2 364.494 0.927 10 0 FCAELP CC(C)N(CCCNC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)S(C)(=O)=O ZINC000631885867 492869185 /nfs/dbraw/zinc/86/91/85/492869185.db2.gz BWNREPOCYNOFOU-JKSUJKDBSA-N 2 2 374.551 0.237 10 0 FCAELP CC(C)N(CCCNC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)S(C)(=O)=O ZINC000631885867 492869188 /nfs/dbraw/zinc/86/91/88/492869188.db2.gz BWNREPOCYNOFOU-JKSUJKDBSA-N 2 2 374.551 0.237 10 0 FCAELP NC(=O)CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631887004 492870392 /nfs/dbraw/zinc/87/03/92/492870392.db2.gz NSXMFMNVZNYYNZ-QZTJIDSGSA-N 2 2 358.486 0.965 10 0 FCAELP NC(=O)CCN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631887004 492870395 /nfs/dbraw/zinc/87/03/95/492870395.db2.gz NSXMFMNVZNYYNZ-QZTJIDSGSA-N 2 2 358.486 0.965 10 0 FCAELP CCc1ccc(C[NH+]2CCN(S(=O)(=O)C[C@@H]3C[NH2+]CCO3)CC2)s1 ZINC000631920980 492884903 /nfs/dbraw/zinc/88/49/03/492884903.db2.gz KFTMHSNZBOFNSX-AWEZNQCLSA-N 2 2 373.544 0.746 10 0 FCAELP CSc1ccc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)cn1 ZINC000658427000 492885546 /nfs/dbraw/zinc/88/55/46/492885546.db2.gz LVWYSPWRKLADEU-UHFFFAOYSA-N 2 2 353.492 0.742 10 0 FCAELP CSc1ccc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000658427000 492885550 /nfs/dbraw/zinc/88/55/50/492885550.db2.gz LVWYSPWRKLADEU-UHFFFAOYSA-N 2 2 353.492 0.742 10 0 FCAELP CC(=O)Nc1cccc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000658426918 492885742 /nfs/dbraw/zinc/88/57/42/492885742.db2.gz LJVZOGHNJFQZNX-UHFFFAOYSA-N 2 2 363.462 0.583 10 0 FCAELP CC(=O)Nc1cccc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000658426918 492885746 /nfs/dbraw/zinc/88/57/46/492885746.db2.gz LJVZOGHNJFQZNX-UHFFFAOYSA-N 2 2 363.462 0.583 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000658426750 492885959 /nfs/dbraw/zinc/88/59/59/492885959.db2.gz IYDNPFRANNQEHU-UHFFFAOYSA-N 2 2 373.461 0.206 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000658426750 492885961 /nfs/dbraw/zinc/88/59/61/492885961.db2.gz IYDNPFRANNQEHU-UHFFFAOYSA-N 2 2 373.461 0.206 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1nccn1-c1ccccc1 ZINC000658429553 492887673 /nfs/dbraw/zinc/88/76/73/492887673.db2.gz ZXONJUZWOOZTFI-UHFFFAOYSA-N 2 2 372.473 0.811 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1nccn1-c1ccccc1 ZINC000658429553 492887676 /nfs/dbraw/zinc/88/76/76/492887676.db2.gz ZXONJUZWOOZTFI-UHFFFAOYSA-N 2 2 372.473 0.811 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC(C)(C)[C@]3(O)CCOC3)C2)CC1 ZINC000645295605 492889437 /nfs/dbraw/zinc/88/94/37/492889437.db2.gz XRZXADYBIMCVJG-BEFAXECRSA-N 2 2 368.522 0.632 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC(C)(C)[C@]3(O)CCOC3)C2)CC1 ZINC000645295605 492889441 /nfs/dbraw/zinc/88/94/41/492889441.db2.gz XRZXADYBIMCVJG-BEFAXECRSA-N 2 2 368.522 0.632 10 0 FCAELP C[C@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)N1CC[NH2+]CC1=O ZINC000638081221 492900777 /nfs/dbraw/zinc/90/07/77/492900777.db2.gz IZDTYJPBEQQZBE-MRXNPFEDSA-N 2 2 358.486 0.835 10 0 FCAELP C[C@@H](C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)N1CC[NH2+]CC1=O ZINC000638132909 492913578 /nfs/dbraw/zinc/91/35/78/492913578.db2.gz XPBCJTIZJUMQOB-IRXDYDNUSA-N 2 2 358.486 0.930 10 0 FCAELP C[C@@H](C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)N1CC[NH2+]CC1=O ZINC000638132909 492913581 /nfs/dbraw/zinc/91/35/81/492913581.db2.gz XPBCJTIZJUMQOB-IRXDYDNUSA-N 2 2 358.486 0.930 10 0 FCAELP C[C@H](C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)N1CC[NH2+]CC1=O ZINC000638132906 492913683 /nfs/dbraw/zinc/91/36/83/492913683.db2.gz XPBCJTIZJUMQOB-IAGOWNOFSA-N 2 2 358.486 0.930 10 0 FCAELP C[C@H](C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)N1CC[NH2+]CC1=O ZINC000638132906 492913688 /nfs/dbraw/zinc/91/36/88/492913688.db2.gz XPBCJTIZJUMQOB-IAGOWNOFSA-N 2 2 358.486 0.930 10 0 FCAELP O[C@@H](CN1CC[NH+](Cc2cc3ccccc3[nH]2)CC1)C[NH+]1CCOCC1 ZINC000626074408 492926094 /nfs/dbraw/zinc/92/60/94/492926094.db2.gz XNRRRPCBVHIXSB-IBGZPJMESA-N 2 2 358.486 0.979 10 0 FCAELP C[C@@H]1C[N@@H+](CCCCNS(=O)(=O)C[C@@H]2C[NH+](C)CCO2)C[C@H](C)O1 ZINC000632099396 492929531 /nfs/dbraw/zinc/92/95/31/492929531.db2.gz IZVRFGDUOCSSOL-XHSDSOJGSA-N 2 2 363.524 0.126 10 0 FCAELP C[C@@H]1C[N@H+](CCCCNS(=O)(=O)C[C@@H]2C[NH+](C)CCO2)C[C@H](C)O1 ZINC000632099396 492929534 /nfs/dbraw/zinc/92/95/34/492929534.db2.gz IZVRFGDUOCSSOL-XHSDSOJGSA-N 2 2 363.524 0.126 10 0 FCAELP C[C@@H]1C[NH+](CCCCNS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)C[C@H](C)O1 ZINC000632099396 492929536 /nfs/dbraw/zinc/92/95/36/492929536.db2.gz IZVRFGDUOCSSOL-XHSDSOJGSA-N 2 2 363.524 0.126 10 0 FCAELP C[C@@H]1C[NH+](CCCCNS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)C[C@H](C)O1 ZINC000632099396 492929537 /nfs/dbraw/zinc/92/95/37/492929537.db2.gz IZVRFGDUOCSSOL-XHSDSOJGSA-N 2 2 363.524 0.126 10 0 FCAELP CN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)C[C@@H]1C[NH+](C)CCO1 ZINC000632104583 492930386 /nfs/dbraw/zinc/93/03/86/492930386.db2.gz JUFGBTRKJYOBNO-MSOLQXFVSA-N 2 2 367.515 0.853 10 0 FCAELP CN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)C[C@@H]1C[NH+](C)CCO1 ZINC000632104583 492930388 /nfs/dbraw/zinc/93/03/88/492930388.db2.gz JUFGBTRKJYOBNO-MSOLQXFVSA-N 2 2 367.515 0.853 10 0 FCAELP CN([C@@H]1CC[NH+](Cc2ccccc2)C1)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632104583 492930392 /nfs/dbraw/zinc/93/03/92/492930392.db2.gz JUFGBTRKJYOBNO-MSOLQXFVSA-N 2 2 367.515 0.853 10 0 FCAELP CN([C@@H]1CC[NH+](Cc2ccccc2)C1)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632104583 492930393 /nfs/dbraw/zinc/93/03/93/492930393.db2.gz JUFGBTRKJYOBNO-MSOLQXFVSA-N 2 2 367.515 0.853 10 0 FCAELP COCC(COC)[NH+]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000652438740 492932954 /nfs/dbraw/zinc/93/29/54/492932954.db2.gz BCZUYZBTUODVJI-UHFFFAOYSA-N 2 2 350.463 0.568 10 0 FCAELP C[C@H](NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)[C@H](c1ccccc1)[NH+](C)C ZINC000632227596 492953460 /nfs/dbraw/zinc/95/34/60/492953460.db2.gz CMTXZGDTNQLMMD-BHYGNILZSA-N 2 2 355.504 0.928 10 0 FCAELP C[C@H](NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)[C@H](c1ccccc1)[NH+](C)C ZINC000632227596 492953464 /nfs/dbraw/zinc/95/34/64/492953464.db2.gz CMTXZGDTNQLMMD-BHYGNILZSA-N 2 2 355.504 0.928 10 0 FCAELP Cc1cc(NC(=O)NC[C@H]2COCC[N@@H+]2C)n(C2CC[NH+](C)CC2)n1 ZINC000626426813 492975861 /nfs/dbraw/zinc/97/58/61/492975861.db2.gz MJAAEGRFVCEJSR-HNNXBMFYSA-N 2 2 350.467 0.910 10 0 FCAELP Cc1cc(NC(=O)NC[C@H]2COCC[N@H+]2C)n(C2CC[NH+](C)CC2)n1 ZINC000626426813 492975866 /nfs/dbraw/zinc/97/58/66/492975866.db2.gz MJAAEGRFVCEJSR-HNNXBMFYSA-N 2 2 350.467 0.910 10 0 FCAELP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)[C@@H](C)C1 ZINC000658616872 492981686 /nfs/dbraw/zinc/98/16/86/492981686.db2.gz VCAUVAKQUBVVGJ-BBWFWOEESA-N 2 2 366.506 0.108 10 0 FCAELP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)[C@@H](C)C1 ZINC000658616872 492981690 /nfs/dbraw/zinc/98/16/90/492981690.db2.gz VCAUVAKQUBVVGJ-BBWFWOEESA-N 2 2 366.506 0.108 10 0 FCAELP CCO[C@@H]1CN(C(=O)C(=O)NCCn2c(C)[nH+]c3ccccc32)C[C@H]1C[NH3+] ZINC000652672902 492985036 /nfs/dbraw/zinc/98/50/36/492985036.db2.gz ZEOQJJJGAXDEPQ-RHSMWYFYSA-N 2 2 373.457 0.283 10 0 FCAELP C[NH2+]Cc1ccccc1CNC(=O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000652681168 492987977 /nfs/dbraw/zinc/98/79/77/492987977.db2.gz CLCKJBJQZJKLRM-UHFFFAOYSA-N 2 2 355.442 0.800 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@]3([NH3+])[C@@H]4CCCO[C@@H]4C3(C)C)C2)CC1 ZINC000645978175 492994970 /nfs/dbraw/zinc/99/49/70/492994970.db2.gz WCIRWUNJDPNZBT-DZIWXPPMSA-N 3 2 364.534 0.804 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@]3([NH3+])[C@@H]4CCCO[C@@H]4C3(C)C)C2)CC1 ZINC000645978175 492994974 /nfs/dbraw/zinc/99/49/74/492994974.db2.gz WCIRWUNJDPNZBT-DZIWXPPMSA-N 3 2 364.534 0.804 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)CC2 ZINC000658664494 492996523 /nfs/dbraw/zinc/99/65/23/492996523.db2.gz OLDRNMIGTTZOHF-OAHLLOKOSA-N 2 2 363.462 0.103 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)CC2 ZINC000658664493 492996755 /nfs/dbraw/zinc/99/67/55/492996755.db2.gz OLDRNMIGTTZOHF-HNNXBMFYSA-N 2 2 363.462 0.103 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658677488 493004952 /nfs/dbraw/zinc/00/49/52/493004952.db2.gz QKJOHGOURNJDRJ-CABCVRRESA-N 2 2 354.495 0.155 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658677488 493004955 /nfs/dbraw/zinc/00/49/55/493004955.db2.gz QKJOHGOURNJDRJ-CABCVRRESA-N 2 2 354.495 0.155 10 0 FCAELP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C(=O)N3CC[NH+](C4CC4)CC3)C2)C1 ZINC000652726967 493005828 /nfs/dbraw/zinc/00/58/28/493005828.db2.gz WZQLQCFVYKGBQH-INMHGKMJSA-N 2 2 364.490 0.038 10 0 FCAELP CC(C)[C@H](C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000652735455 493012183 /nfs/dbraw/zinc/01/21/83/493012183.db2.gz KXNFNOQQENFUSM-JFIYKMOQSA-N 2 2 368.522 0.353 10 0 FCAELP c1nc2n(n1)[C@@H](C[NH+]1CCN(c3cc(N4CCOCC4)[nH+]cn3)CC1)CC2 ZINC000639497790 493014574 /nfs/dbraw/zinc/01/45/74/493014574.db2.gz SXBQMBYMPHLMML-OAHLLOKOSA-N 2 2 370.461 0.214 10 0 FCAELP C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000652813877 493023634 /nfs/dbraw/zinc/02/36/34/493023634.db2.gz MWSSUBXXLIJPMK-OTWHNJEPSA-N 2 2 359.470 0.819 10 0 FCAELP C[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000652813877 493023638 /nfs/dbraw/zinc/02/36/38/493023638.db2.gz MWSSUBXXLIJPMK-OTWHNJEPSA-N 2 2 359.470 0.819 10 0 FCAELP C[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000652813877 493023640 /nfs/dbraw/zinc/02/36/40/493023640.db2.gz MWSSUBXXLIJPMK-OTWHNJEPSA-N 2 2 359.470 0.819 10 0 FCAELP C[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000652813877 493023644 /nfs/dbraw/zinc/02/36/44/493023644.db2.gz MWSSUBXXLIJPMK-OTWHNJEPSA-N 2 2 359.470 0.819 10 0 FCAELP O=C(Nc1ccccc1C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626849548 493035597 /nfs/dbraw/zinc/03/55/97/493035597.db2.gz AIBPDDXHRLLLKN-QGZVFWFLSA-N 2 2 372.469 0.858 10 0 FCAELP CCC1([NH+]2CCOCC2)CCN(S(=O)(=O)CC2([NH+](C)C)CC2)CC1 ZINC000632599901 493041941 /nfs/dbraw/zinc/04/19/41/493041941.db2.gz CSFNJNVSINOMDN-UHFFFAOYSA-N 2 2 359.536 0.987 10 0 FCAELP CC1([NH+]2CCCC2)CCN(S(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000632639505 493055728 /nfs/dbraw/zinc/05/57/28/493055728.db2.gz COJAUTDYZDXOGL-UHFFFAOYSA-N 2 2 359.536 0.989 10 0 FCAELP CCN(C(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000658803338 493061068 /nfs/dbraw/zinc/06/10/68/493061068.db2.gz SADFVFUUJYVOMJ-WMZOPIPTSA-N 2 2 373.501 0.839 10 0 FCAELP CCN(C(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000658803338 493061071 /nfs/dbraw/zinc/06/10/71/493061071.db2.gz SADFVFUUJYVOMJ-WMZOPIPTSA-N 2 2 373.501 0.839 10 0 FCAELP CCN(C(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000658804964 493061818 /nfs/dbraw/zinc/06/18/18/493061818.db2.gz YVIALEWZGCBEIT-OWCLPIDISA-N 2 2 354.495 0.107 10 0 FCAELP CCN(C(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000658804964 493061821 /nfs/dbraw/zinc/06/18/21/493061821.db2.gz YVIALEWZGCBEIT-OWCLPIDISA-N 2 2 354.495 0.107 10 0 FCAELP CCN(C(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000658804964 493061826 /nfs/dbraw/zinc/06/18/26/493061826.db2.gz YVIALEWZGCBEIT-OWCLPIDISA-N 2 2 354.495 0.107 10 0 FCAELP CCN(C(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000658804964 493061830 /nfs/dbraw/zinc/06/18/30/493061830.db2.gz YVIALEWZGCBEIT-OWCLPIDISA-N 2 2 354.495 0.107 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)C(=O)N(CC)[C@@H]2CC[N@H+](CC)C2)CC1 ZINC000658828175 493075098 /nfs/dbraw/zinc/07/50/98/493075098.db2.gz ASBRXGIFKYJWRL-MRXNPFEDSA-N 2 2 354.495 0.110 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)C(=O)N(CC)[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC000658828175 493075101 /nfs/dbraw/zinc/07/51/01/493075101.db2.gz ASBRXGIFKYJWRL-MRXNPFEDSA-N 2 2 354.495 0.110 10 0 FCAELP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1cccc(C(=O)Nc2ccncc2)c1 ZINC000653121327 493075172 /nfs/dbraw/zinc/07/51/72/493075172.db2.gz REQWNANKPALQQG-KRWDZBQOSA-N 2 2 355.442 0.651 10 0 FCAELP C[NH+]1CCC(CNC(=O)NC2(C[NH3+])CCOCC2)([NH+]2CCCCC2)CC1 ZINC000626989494 493075888 /nfs/dbraw/zinc/07/58/88/493075888.db2.gz XTTUIPAAFMHLAC-UHFFFAOYSA-N 3 2 367.538 0.744 10 0 FCAELP [NH3+]CC[C@@H](NC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)C(F)F ZINC000627099478 493087080 /nfs/dbraw/zinc/08/70/80/493087080.db2.gz RWVMRRDEJDVGDR-UONOGXRCSA-N 2 2 357.405 0.564 10 0 FCAELP [NH3+]CC[C@@H](NC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)C(F)F ZINC000627099478 493087086 /nfs/dbraw/zinc/08/70/86/493087086.db2.gz RWVMRRDEJDVGDR-UONOGXRCSA-N 2 2 357.405 0.564 10 0 FCAELP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000653260687 493087159 /nfs/dbraw/zinc/08/71/59/493087159.db2.gz JPIXSKNZSQQKAJ-OAGGEKHMSA-N 2 2 354.495 0.330 10 0 FCAELP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000653260687 493087164 /nfs/dbraw/zinc/08/71/64/493087164.db2.gz JPIXSKNZSQQKAJ-OAGGEKHMSA-N 2 2 354.495 0.330 10 0 FCAELP COCC[C@H](COC)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000633011311 493103431 /nfs/dbraw/zinc/10/34/31/493103431.db2.gz CRMYMWAHQLDMQK-MRXNPFEDSA-N 2 2 356.511 0.896 10 0 FCAELP C[C@@H]1CC[C@@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)C[NH2+]1 ZINC000627195110 493106080 /nfs/dbraw/zinc/10/60/80/493106080.db2.gz JSFKJFPCRUDHRZ-BRWVUGGUSA-N 2 2 365.522 0.855 10 0 FCAELP O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000627224930 493109991 /nfs/dbraw/zinc/10/99/91/493109991.db2.gz QUUANOJOSMJDGS-ZWKOTPCHSA-N 2 2 359.474 0.818 10 0 FCAELP O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000627224930 493109993 /nfs/dbraw/zinc/10/99/93/493109993.db2.gz QUUANOJOSMJDGS-ZWKOTPCHSA-N 2 2 359.474 0.818 10 0 FCAELP O=C(NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000627225425 493110681 /nfs/dbraw/zinc/11/06/81/493110681.db2.gz XKRYAPVXYSFWJI-KSZLIROESA-N 2 2 359.474 0.818 10 0 FCAELP O=C(NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000627225425 493110685 /nfs/dbraw/zinc/11/06/85/493110685.db2.gz XKRYAPVXYSFWJI-KSZLIROESA-N 2 2 359.474 0.818 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[C@H]1C[NH3+] ZINC000633101131 493124766 /nfs/dbraw/zinc/12/47/66/493124766.db2.gz ACKFVBCDHUSXKE-JFIYKMOQSA-N 2 2 358.486 0.773 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[C@H]1C[NH3+] ZINC000633101131 493124771 /nfs/dbraw/zinc/12/47/71/493124771.db2.gz ACKFVBCDHUSXKE-JFIYKMOQSA-N 2 2 358.486 0.773 10 0 FCAELP O=C(C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633102352 493126283 /nfs/dbraw/zinc/12/62/83/493126283.db2.gz HCEBQRNIFSWXHE-DZKIICNBSA-N 2 2 357.458 0.498 10 0 FCAELP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000627288105 493133835 /nfs/dbraw/zinc/13/38/35/493133835.db2.gz NMWAOVOIEDMHJU-ZDUSSCGKSA-N 2 2 368.428 0.853 10 0 FCAELP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000627288105 493133836 /nfs/dbraw/zinc/13/38/36/493133836.db2.gz NMWAOVOIEDMHJU-ZDUSSCGKSA-N 2 2 368.428 0.853 10 0 FCAELP C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C[NH2+]1 ZINC000627312756 493146636 /nfs/dbraw/zinc/14/66/36/493146636.db2.gz HYTFGVUFHCDZEF-QKPAOTATSA-N 2 2 352.479 0.003 10 0 FCAELP C[C@@H]1CC[C@H](NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C[NH2+]1 ZINC000627312353 493146954 /nfs/dbraw/zinc/14/69/54/493146954.db2.gz WTWPKAQPHQNLGJ-OCCSQVGLSA-N 2 2 359.405 0.884 10 0 FCAELP O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000627313118 493147457 /nfs/dbraw/zinc/14/74/57/493147457.db2.gz VXFDWYQOFSHUBY-BZUAXINKSA-N 2 2 364.490 0.147 10 0 FCAELP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000659093721 493149333 /nfs/dbraw/zinc/14/93/33/493149333.db2.gz ASLFPSBBAFZQOO-CABCVRRESA-N 2 2 362.474 0.960 10 0 FCAELP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000659093721 493149339 /nfs/dbraw/zinc/14/93/39/493149339.db2.gz ASLFPSBBAFZQOO-CABCVRRESA-N 2 2 362.474 0.960 10 0 FCAELP C[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)C[NH2+]1 ZINC000627317729 493149299 /nfs/dbraw/zinc/14/92/99/493149299.db2.gz WIUXVIAJAALWSB-FVQBIDKESA-N 2 2 355.442 0.882 10 0 FCAELP Cc1cccn2cc(CCNC(=O)C(=O)N3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)[nH+]c12 ZINC000627327422 493155567 /nfs/dbraw/zinc/15/55/67/493155567.db2.gz XIHOTAPWPQDTRY-BGYRXZFFSA-N 2 2 369.469 0.759 10 0 FCAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659106099 493155715 /nfs/dbraw/zinc/15/57/15/493155715.db2.gz HMICPBOQZWRWFZ-UHFFFAOYSA-N 2 2 359.430 0.033 10 0 FCAELP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)CO1 ZINC000647206140 493178350 /nfs/dbraw/zinc/17/83/50/493178350.db2.gz JBYITCWTIODCHH-BZUAXINKSA-N 2 2 361.490 0.600 10 0 FCAELP CCOC1CC(CNC(=O)NCC23CC(C2)C[NH2+]3)([NH+]2CCOCC2)C1 ZINC000659486593 493191305 /nfs/dbraw/zinc/19/13/05/493191305.db2.gz HJPGTIYZNPGYGB-UHFFFAOYSA-N 2 2 352.479 0.308 10 0 FCAELP O=C(CN1CC[NH2+]CC1=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659381389 493199387 /nfs/dbraw/zinc/19/93/87/493199387.db2.gz KLPFAMGKIRHGFW-GOSISDBHSA-N 2 2 370.497 0.837 10 0 FCAELP O=C(CN1CC[NH2+]CC1=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659381389 493199388 /nfs/dbraw/zinc/19/93/88/493199388.db2.gz KLPFAMGKIRHGFW-GOSISDBHSA-N 2 2 370.497 0.837 10 0 FCAELP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639703 493222091 /nfs/dbraw/zinc/22/20/91/493222091.db2.gz FDJXIWUFDKJWIS-HZPDHXFCSA-N 3 2 367.538 0.118 10 0 FCAELP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639703 493222094 /nfs/dbraw/zinc/22/20/94/493222094.db2.gz FDJXIWUFDKJWIS-HZPDHXFCSA-N 3 2 367.538 0.118 10 0 FCAELP C[C@H](NC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)c1[nH+]ccn1C ZINC000659629292 493222616 /nfs/dbraw/zinc/22/26/16/493222616.db2.gz VMRFFNLLERGWJK-SOUVJXGZSA-N 2 2 362.478 0.771 10 0 FCAELP CO[C@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640142 493224057 /nfs/dbraw/zinc/22/40/57/493224057.db2.gz RROUHWONNYREBH-XIRDDKMYSA-N 2 2 366.506 0.345 10 0 FCAELP CO[C@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640142 493224060 /nfs/dbraw/zinc/22/40/60/493224060.db2.gz RROUHWONNYREBH-XIRDDKMYSA-N 2 2 366.506 0.345 10 0 FCAELP C[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672642846 493228373 /nfs/dbraw/zinc/22/83/73/493228373.db2.gz WUNKJADKRZEZJD-HOTGVXAUSA-N 2 2 350.507 0.920 10 0 FCAELP C[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672642846 493228375 /nfs/dbraw/zinc/22/83/75/493228375.db2.gz WUNKJADKRZEZJD-HOTGVXAUSA-N 2 2 350.507 0.920 10 0 FCAELP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000659693358 493256750 /nfs/dbraw/zinc/25/67/50/493256750.db2.gz ZUQFHOTWODKZIG-BFHYXJOUSA-N 2 2 363.462 0.036 10 0 FCAELP O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659695641 493257513 /nfs/dbraw/zinc/25/75/13/493257513.db2.gz DKBCFKLFNXPPJJ-HZPDHXFCSA-N 2 2 359.474 0.552 10 0 FCAELP C[C@@H]1CCN(C(=O)C(=O)NCc2[nH+]ccn2CC(F)(F)F)[C@H](C[NH3+])C1 ZINC000659704850 493263612 /nfs/dbraw/zinc/26/36/12/493263612.db2.gz RVIGWCBSVMKCBF-MNOVXSKESA-N 2 2 361.368 0.647 10 0 FCAELP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H](C)c2[nH+]ccn2C)CC1 ZINC000667256458 493269598 /nfs/dbraw/zinc/26/95/98/493269598.db2.gz LRETXZWOKWBBEL-AWEZNQCLSA-N 2 2 350.467 0.677 10 0 FCAELP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000659723459 493272626 /nfs/dbraw/zinc/27/26/26/493272626.db2.gz NCJZILWEDCPQBV-RHSMWYFYSA-N 2 2 360.458 0.256 10 0 FCAELP Cn1ccnc(N2CC[NH+](Cc3ccnn3-c3cc[nH+]cc3)CC2)c1=O ZINC000667659953 493295371 /nfs/dbraw/zinc/29/53/71/493295371.db2.gz WFDMWSOWDJQUNC-UHFFFAOYSA-N 2 2 351.414 0.683 10 0 FCAELP CC(C)[NH+]1CCN(C2CC[NH+](Cc3coc(S(N)(=O)=O)c3)CC2)CC1 ZINC000660149251 493330405 /nfs/dbraw/zinc/33/04/05/493330405.db2.gz BSPYBPUFZVVUSW-UHFFFAOYSA-N 2 2 370.519 0.917 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC3CC3)C1)CC2 ZINC000660771890 493378882 /nfs/dbraw/zinc/37/88/82/493378882.db2.gz AAHNAESGHQPNCR-MRXNPFEDSA-N 2 2 359.474 0.724 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC3CC3)C1)CC2 ZINC000660771890 493378886 /nfs/dbraw/zinc/37/88/86/493378886.db2.gz AAHNAESGHQPNCR-MRXNPFEDSA-N 2 2 359.474 0.724 10 0 FCAELP C[C@@H](CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000661360873 493430532 /nfs/dbraw/zinc/43/05/32/493430532.db2.gz ILSISYSTYSDTSC-MWDXBVQZSA-N 2 2 354.495 0.600 10 0 FCAELP C[C@@H](CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000661360873 493430535 /nfs/dbraw/zinc/43/05/35/493430535.db2.gz ILSISYSTYSDTSC-MWDXBVQZSA-N 2 2 354.495 0.600 10 0 FCAELP CO[C@@]1(CO)CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000661393376 493433502 /nfs/dbraw/zinc/43/35/02/493433502.db2.gz RCOGXZAZJWIRFA-SFHVURJKSA-N 2 2 351.447 0.397 10 0 FCAELP CO[C@@]1(CO)CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000661393376 493433504 /nfs/dbraw/zinc/43/35/04/493433504.db2.gz RCOGXZAZJWIRFA-SFHVURJKSA-N 2 2 351.447 0.397 10 0 FCAELP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000661396941 493434463 /nfs/dbraw/zinc/43/44/63/493434463.db2.gz OEQKOYZBOJLIME-GDBMZVCRSA-N 2 2 365.522 0.854 10 0 FCAELP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000661396941 493434466 /nfs/dbraw/zinc/43/44/66/493434466.db2.gz OEQKOYZBOJLIME-GDBMZVCRSA-N 2 2 365.522 0.854 10 0 FCAELP C[C@@H]1CN(c2ccc(CNC(=O)NC[C@@H]3C[NH2+]CCO3)c[nH+]2)C[C@H](C)O1 ZINC000669162123 493470786 /nfs/dbraw/zinc/47/07/86/493470786.db2.gz FHJROOSQKSMSPP-LZWOXQAQSA-N 2 2 363.462 0.483 10 0 FCAELP CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@H](C)C1 ZINC000675651711 493496981 /nfs/dbraw/zinc/49/69/81/493496981.db2.gz SMAQTAFPAMSMRP-GDBMZVCRSA-N 2 2 351.495 0.417 10 0 FCAELP CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@H](C)C1 ZINC000675651711 493496982 /nfs/dbraw/zinc/49/69/82/493496982.db2.gz SMAQTAFPAMSMRP-GDBMZVCRSA-N 2 2 351.495 0.417 10 0 FCAELP C[NH+](C)CCC[C@@H]1CN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CCO1 ZINC000662314730 493506143 /nfs/dbraw/zinc/50/61/43/493506143.db2.gz BKCZNMGPYOWSAL-QGZVFWFLSA-N 2 2 370.538 0.256 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[NH2+]C[C@H]3c3cccnc3)C2)CC1 ZINC000669484120 493506303 /nfs/dbraw/zinc/50/63/03/493506303.db2.gz CAVAAHOZVQPWQV-MJGOQNOKSA-N 3 2 372.517 0.906 10 0 FCAELP C[N@@H+]1CCN(C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000669492390 493507635 /nfs/dbraw/zinc/50/76/35/493507635.db2.gz OGDHGQUBECRQSW-SFHVURJKSA-N 2 2 373.501 0.823 10 0 FCAELP C[N@H+]1CCN(C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000669492390 493507638 /nfs/dbraw/zinc/50/76/38/493507638.db2.gz OGDHGQUBECRQSW-SFHVURJKSA-N 2 2 373.501 0.823 10 0 FCAELP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000685785110 493514988 /nfs/dbraw/zinc/51/49/88/493514988.db2.gz IUWOSPJLGLYOAV-SFHVURJKSA-N 2 2 374.485 0.897 10 0 FCAELP C[C@H](NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)[C@H]1C[N@H+](C)CCO1 ZINC000669631163 493515901 /nfs/dbraw/zinc/51/59/01/493515901.db2.gz DQUNTURXIQNMNO-GOEBONIOSA-N 2 2 364.471 0.929 10 0 FCAELP C[C@H](NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)[C@H]1C[N@@H+](C)CCO1 ZINC000669631163 493515902 /nfs/dbraw/zinc/51/59/02/493515902.db2.gz DQUNTURXIQNMNO-GOEBONIOSA-N 2 2 364.471 0.929 10 0 FCAELP [NH3+]CCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)nn1 ZINC000662455231 493517331 /nfs/dbraw/zinc/51/73/31/493517331.db2.gz VUUSSSZAMQLKRQ-GFCCVEGCSA-N 2 2 364.400 0.909 10 0 FCAELP [NH3+]CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)nn1 ZINC000662455231 493517333 /nfs/dbraw/zinc/51/73/33/493517333.db2.gz VUUSSSZAMQLKRQ-GFCCVEGCSA-N 2 2 364.400 0.909 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)c2cn(CC[NH3+])nn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000662508755 493522243 /nfs/dbraw/zinc/52/22/43/493522243.db2.gz DYFVHQGLIASLSK-HIFRSBDPSA-N 2 2 350.373 0.690 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)c2cn(CC[NH3+])nn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000662508755 493522246 /nfs/dbraw/zinc/52/22/46/493522246.db2.gz DYFVHQGLIASLSK-HIFRSBDPSA-N 2 2 350.373 0.690 10 0 FCAELP CC1(C)COCC[N@@H+]1CCNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676094660 493523589 /nfs/dbraw/zinc/52/35/89/493523589.db2.gz MEQSOISRMASMKF-UHFFFAOYSA-N 2 2 372.429 0.433 10 0 FCAELP CC1(C)COCC[N@H+]1CCNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676094660 493523591 /nfs/dbraw/zinc/52/35/91/493523591.db2.gz MEQSOISRMASMKF-UHFFFAOYSA-N 2 2 372.429 0.433 10 0 FCAELP CO[C@@H](CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1)[C@@H]1CCOC1 ZINC000662617891 493527860 /nfs/dbraw/zinc/52/78/60/493527860.db2.gz WDGHMFPHTDAZCG-NEWSRXKRSA-N 2 2 372.469 0.969 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)CC1 ZINC000676555054 493558466 /nfs/dbraw/zinc/55/84/66/493558466.db2.gz DFJXHWZOLWPMPS-NEWSRXKRSA-N 2 2 361.486 0.567 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)CC1 ZINC000676555054 493558470 /nfs/dbraw/zinc/55/84/70/493558470.db2.gz DFJXHWZOLWPMPS-NEWSRXKRSA-N 2 2 361.486 0.567 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)CC1 ZINC000676555056 493558625 /nfs/dbraw/zinc/55/86/25/493558625.db2.gz DFJXHWZOLWPMPS-NZSAHSFTSA-N 2 2 361.486 0.567 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](CO)[C@H](O)C2)CC1 ZINC000676555056 493558628 /nfs/dbraw/zinc/55/86/28/493558628.db2.gz DFJXHWZOLWPMPS-NZSAHSFTSA-N 2 2 361.486 0.567 10 0 FCAELP CC(C)[C@@H](C(=O)NC[C@H]1C[NH+]2CCN1CCC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000670409323 493563248 /nfs/dbraw/zinc/56/32/48/493563248.db2.gz KCXPXNJLTRBFLU-MHORFTMASA-N 2 2 352.523 0.626 10 0 FCAELP CC(C)[C@@H](C(=O)NC[C@H]1C[NH+]2CCN1CCC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000670409323 493563250 /nfs/dbraw/zinc/56/32/50/493563250.db2.gz KCXPXNJLTRBFLU-MHORFTMASA-N 2 2 352.523 0.626 10 0 FCAELP CC(C)[C@@H](C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000670409323 493563252 /nfs/dbraw/zinc/56/32/52/493563252.db2.gz KCXPXNJLTRBFLU-MHORFTMASA-N 2 2 352.523 0.626 10 0 FCAELP CC(C)[C@@H](C(=O)NC[C@H]1C[N@H+]2CCN1CCC2)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000670409323 493563253 /nfs/dbraw/zinc/56/32/53/493563253.db2.gz KCXPXNJLTRBFLU-MHORFTMASA-N 2 2 352.523 0.626 10 0 FCAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000676634140 493564033 /nfs/dbraw/zinc/56/40/33/493564033.db2.gz SVACTAXDVZJYMS-ZWKOTPCHSA-N 2 2 369.531 0.741 10 0 FCAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000676634140 493564035 /nfs/dbraw/zinc/56/40/35/493564035.db2.gz SVACTAXDVZJYMS-ZWKOTPCHSA-N 2 2 369.531 0.741 10 0 FCAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000676634140 493564036 /nfs/dbraw/zinc/56/40/36/493564036.db2.gz SVACTAXDVZJYMS-ZWKOTPCHSA-N 2 2 369.531 0.741 10 0 FCAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000676634140 493564038 /nfs/dbraw/zinc/56/40/38/493564038.db2.gz SVACTAXDVZJYMS-ZWKOTPCHSA-N 2 2 369.531 0.741 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)CC2 ZINC000670503542 493575743 /nfs/dbraw/zinc/57/57/43/493575743.db2.gz NBTDDJLGXDFNTK-INIZCTEOSA-N 2 2 355.442 0.953 10 0 FCAELP CCC(CC)[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000670819800 493600641 /nfs/dbraw/zinc/60/06/41/493600641.db2.gz MQVJLUKKONEYOW-IRXDYDNUSA-N 2 2 368.522 0.450 10 0 FCAELP CCC(CC)[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000670819800 493600643 /nfs/dbraw/zinc/60/06/43/493600643.db2.gz MQVJLUKKONEYOW-IRXDYDNUSA-N 2 2 368.522 0.450 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000663687407 493612046 /nfs/dbraw/zinc/61/20/46/493612046.db2.gz VFIGPZYLAXPJNW-UHFFFAOYSA-N 3 2 350.511 0.945 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000663687407 493612048 /nfs/dbraw/zinc/61/20/48/493612048.db2.gz VFIGPZYLAXPJNW-UHFFFAOYSA-N 3 2 350.511 0.945 10 0 FCAELP CN(CCC[NH+](C)C)CCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000663687407 493612050 /nfs/dbraw/zinc/61/20/50/493612050.db2.gz VFIGPZYLAXPJNW-UHFFFAOYSA-N 2 2 350.511 0.945 10 0 FCAELP CN(CC1C[NH+](C)C1)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000663878831 493622693 /nfs/dbraw/zinc/62/26/93/493622693.db2.gz LXOIYORTPIXDBN-UHFFFAOYSA-N 2 2 374.489 0.323 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000670999351 493622798 /nfs/dbraw/zinc/62/27/98/493622798.db2.gz GQGHQCOUFYKHNA-SJORKVTESA-N 2 2 366.506 0.300 10 0 FCAELP C[C@@H]1C[N@H+](CC(=O)N2CCOC[C@@H]2C2CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000677988171 493629498 /nfs/dbraw/zinc/62/94/98/493629498.db2.gz MLJPTFJUFKTLEI-NZSAHSFTSA-N 2 2 364.534 0.582 10 0 FCAELP C[C@@H]1C[N@@H+](CC(=O)N2CCOC[C@@H]2C2CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000677988171 493629501 /nfs/dbraw/zinc/62/95/01/493629501.db2.gz MLJPTFJUFKTLEI-NZSAHSFTSA-N 2 2 364.534 0.582 10 0 FCAELP CN1CCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCC1=O ZINC000664231840 493646329 /nfs/dbraw/zinc/64/63/29/493646329.db2.gz ARFIJGZJKKUTRP-UHFFFAOYSA-N 2 2 365.522 0.810 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)CC2 ZINC000671344083 493657774 /nfs/dbraw/zinc/65/77/74/493657774.db2.gz QEXBFNKTNXLFNV-KRWDZBQOSA-N 2 2 369.469 0.823 10 0 FCAELP CCO[C@@H]1C[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)[C@]12CCCO2 ZINC000664661450 493675891 /nfs/dbraw/zinc/67/58/91/493675891.db2.gz WSZJLIZPXIWCQT-JFIYKMOQSA-N 2 2 356.511 0.896 10 0 FCAELP CCO[C@@H]1C[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)[C@]12CCCO2 ZINC000664661450 493675893 /nfs/dbraw/zinc/67/58/93/493675893.db2.gz WSZJLIZPXIWCQT-JFIYKMOQSA-N 2 2 356.511 0.896 10 0 FCAELP CCOC1CC(CNC(=O)N(CC)[C@H]2CC[N@@H+](C)C2)([NH+]2CCOCC2)C1 ZINC000664767648 493682654 /nfs/dbraw/zinc/68/26/54/493682654.db2.gz WYWFYAGLLFWHDB-MUYFXNHWSA-N 2 2 368.522 0.992 10 0 FCAELP Cn1ccnc1[C@@H]1C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)CCO1 ZINC000665077959 493698242 /nfs/dbraw/zinc/69/82/42/493698242.db2.gz WWZNCNCCLROYMN-CVEARBPZSA-N 2 2 366.510 0.823 10 0 FCAELP Cn1ccnc1[C@@H]1C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000665077959 493698244 /nfs/dbraw/zinc/69/82/44/493698244.db2.gz WWZNCNCCLROYMN-CVEARBPZSA-N 2 2 366.510 0.823 10 0 FCAELP CN(C(=O)C1(N2CCOCC2)CCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000679887834 493699098 /nfs/dbraw/zinc/69/90/98/493699098.db2.gz QWJGJVJWQXJEIS-SFHVURJKSA-N 2 2 364.534 0.868 10 0 FCAELP CN(C(=O)C1(N2CCOCC2)CCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000679887834 493699100 /nfs/dbraw/zinc/69/91/00/493699100.db2.gz QWJGJVJWQXJEIS-SFHVURJKSA-N 2 2 364.534 0.868 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1nnc(-c2ccncc2)[nH]1 ZINC000665148243 493702340 /nfs/dbraw/zinc/70/23/40/493702340.db2.gz LOUPFQNYPZKZLV-UHFFFAOYSA-N 2 2 360.466 0.549 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1nnc(-c2ccncc2)[nH]1 ZINC000665148243 493702343 /nfs/dbraw/zinc/70/23/43/493702343.db2.gz LOUPFQNYPZKZLV-UHFFFAOYSA-N 2 2 360.466 0.549 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1n[nH]c(-c2ccncc2)n1 ZINC000665148243 493702345 /nfs/dbraw/zinc/70/23/45/493702345.db2.gz LOUPFQNYPZKZLV-UHFFFAOYSA-N 2 2 360.466 0.549 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1n[nH]c(-c2ccncc2)n1 ZINC000665148243 493702347 /nfs/dbraw/zinc/70/23/47/493702347.db2.gz LOUPFQNYPZKZLV-UHFFFAOYSA-N 2 2 360.466 0.549 10 0 FCAELP C[C@@H](CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000665254643 493706949 /nfs/dbraw/zinc/70/69/49/493706949.db2.gz WCNSKQCLLXDKGG-YESZJQIVSA-N 3 2 357.543 0.667 10 0 FCAELP C[C@@H](CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000665254643 493706952 /nfs/dbraw/zinc/70/69/52/493706952.db2.gz WCNSKQCLLXDKGG-YESZJQIVSA-N 3 2 357.543 0.667 10 0 FCAELP C[C@@H](CNC(=O)NCC[NH+](C)CCC[NH+](C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000665254643 493706955 /nfs/dbraw/zinc/70/69/55/493706955.db2.gz WCNSKQCLLXDKGG-YESZJQIVSA-N 3 2 357.543 0.667 10 0 FCAELP C[C@@H](CNC(=O)NCC[NH+](C)CCC[NH+](C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000665254643 493706957 /nfs/dbraw/zinc/70/69/57/493706957.db2.gz WCNSKQCLLXDKGG-YESZJQIVSA-N 3 2 357.543 0.667 10 0 FCAELP CO[C@H](CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000665483486 493718389 /nfs/dbraw/zinc/71/83/89/493718389.db2.gz YCTDZSNQLBKYID-DOTOQJQBSA-N 2 2 356.511 0.705 10 0 FCAELP CO[C@H](CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000665483486 493718392 /nfs/dbraw/zinc/71/83/92/493718392.db2.gz YCTDZSNQLBKYID-DOTOQJQBSA-N 2 2 356.511 0.705 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000665637042 493728872 /nfs/dbraw/zinc/72/88/72/493728872.db2.gz RVKRYGGXWLQISY-ROUUACIJSA-N 3 2 369.554 0.765 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000665637042 493728874 /nfs/dbraw/zinc/72/88/74/493728874.db2.gz RVKRYGGXWLQISY-ROUUACIJSA-N 3 2 369.554 0.765 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000665761610 493734247 /nfs/dbraw/zinc/73/42/47/493734247.db2.gz KFDNBIILRGMTAJ-DLBZAZTESA-N 3 2 371.570 0.745 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000665761610 493734248 /nfs/dbraw/zinc/73/42/48/493734248.db2.gz KFDNBIILRGMTAJ-DLBZAZTESA-N 3 2 371.570 0.745 10 0 FCAELP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000665761610 493734249 /nfs/dbraw/zinc/73/42/49/493734249.db2.gz KFDNBIILRGMTAJ-DLBZAZTESA-N 3 2 371.570 0.745 10 0 FCAELP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000665761610 493734251 /nfs/dbraw/zinc/73/42/51/493734251.db2.gz KFDNBIILRGMTAJ-DLBZAZTESA-N 3 2 371.570 0.745 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCO[C@]4(CCOC4)C3)C2)CC1 ZINC000681093570 493745045 /nfs/dbraw/zinc/74/50/45/493745045.db2.gz BHSRPGUOZWREAE-MAUKXSAKSA-N 2 2 352.479 0.356 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCO[C@]4(CCOC4)C3)C2)CC1 ZINC000681093570 493745046 /nfs/dbraw/zinc/74/50/46/493745046.db2.gz BHSRPGUOZWREAE-MAUKXSAKSA-N 2 2 352.479 0.356 10 0 FCAELP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1nnc(COC)[nH]1 ZINC000666118936 493757776 /nfs/dbraw/zinc/75/77/76/493757776.db2.gz MCEGAAAHHIVWER-AWEZNQCLSA-N 2 2 367.498 0.509 10 0 FCAELP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1nnc(COC)[nH]1 ZINC000666118936 493757777 /nfs/dbraw/zinc/75/77/77/493757777.db2.gz MCEGAAAHHIVWER-AWEZNQCLSA-N 2 2 367.498 0.509 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000411028139 534423321 /nfs/dbraw/zinc/42/33/21/534423321.db2.gz PEWXKMCVYFFNCG-QGZVFWFLSA-N 2 2 373.501 0.980 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000411028139 534423329 /nfs/dbraw/zinc/42/33/29/534423329.db2.gz PEWXKMCVYFFNCG-QGZVFWFLSA-N 2 2 373.501 0.980 10 0 FCAELP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000419455602 534908787 /nfs/dbraw/zinc/90/87/87/534908787.db2.gz PPIUUNOUDYHZHM-MRXNPFEDSA-N 2 2 370.457 0.723 10 0 FCAELP CC(C)N(C[C@H](C)O)C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000410512199 528927006 /nfs/dbraw/zinc/92/70/06/528927006.db2.gz SRKLJJGCUXJNLE-HNNXBMFYSA-N 2 2 356.511 0.089 10 0 FCAELP CC(C)N(C[C@H](C)O)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000410512199 528927009 /nfs/dbraw/zinc/92/70/09/528927009.db2.gz SRKLJJGCUXJNLE-HNNXBMFYSA-N 2 2 356.511 0.089 10 0 FCAELP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000087135036 546513573 /nfs/dbraw/zinc/51/35/73/546513573.db2.gz CMKVNMCZNZIKTN-JKSUJKDBSA-N 2 2 351.495 0.419 10 0 FCAELP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000087135036 546513579 /nfs/dbraw/zinc/51/35/79/546513579.db2.gz CMKVNMCZNZIKTN-JKSUJKDBSA-N 2 2 351.495 0.419 10 0 FCAELP COC(=O)c1cc(C)ccc1S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000594821163 546835096 /nfs/dbraw/zinc/83/50/96/546835096.db2.gz JKQLGLYIRYCGNA-UHFFFAOYSA-N 2 2 371.503 0.943 10 0 FCAELP COC(=O)c1cc(C)ccc1S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000594821163 546835103 /nfs/dbraw/zinc/83/51/03/546835103.db2.gz JKQLGLYIRYCGNA-UHFFFAOYSA-N 2 2 371.503 0.943 10 0 FCAELP COC(=O)c1ccc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)cn1 ZINC000594821317 546835526 /nfs/dbraw/zinc/83/55/26/546835526.db2.gz MMNZTCTWVVJKPN-UHFFFAOYSA-N 2 2 358.464 0.030 10 0 FCAELP COC(=O)c1ccc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000594821317 546835530 /nfs/dbraw/zinc/83/55/30/546835530.db2.gz MMNZTCTWVVJKPN-UHFFFAOYSA-N 2 2 358.464 0.030 10 0 FCAELP CC[N@@H+]1CCCN(C(=O)C(=O)NCc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000553125272 547254717 /nfs/dbraw/zinc/25/47/17/547254717.db2.gz DTAHWKCCDAYIBO-UHFFFAOYSA-N 2 2 361.368 0.616 10 0 FCAELP CC[N@H+]1CCCN(C(=O)C(=O)NCc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000553125272 547254721 /nfs/dbraw/zinc/25/47/21/547254721.db2.gz DTAHWKCCDAYIBO-UHFFFAOYSA-N 2 2 361.368 0.616 10 0 FCAELP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(c2ccccc2S(N)(=O)=O)CC1 ZINC000190312886 547410630 /nfs/dbraw/zinc/41/06/30/547410630.db2.gz IDDVAZOJNQBQBA-OAHLLOKOSA-N 2 2 352.504 0.940 10 0 FCAELP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(c2ccccc2S(N)(=O)=O)CC1 ZINC000190312886 547410634 /nfs/dbraw/zinc/41/06/34/547410634.db2.gz IDDVAZOJNQBQBA-OAHLLOKOSA-N 2 2 352.504 0.940 10 0 FCAELP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000897898721 665779973 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2 350.507 0.334 10 0 FCAELP CN(C(=O)C1C[NH+]([C@H]2CCOC2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000896990079 665139587 /nfs/dbraw/zinc/13/95/87/665139587.db2.gz ZLJPTVQRELOUTG-ROUUACIJSA-N 3 2 350.507 0.334 10 0 FCAELP CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000925153552 665170258 /nfs/dbraw/zinc/17/02/58/665170258.db2.gz DWQMZLLKGHGPRQ-HUUCEWRRSA-N 2 2 356.536 0.664 10 0 FCAELP CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000925153552 665170259 /nfs/dbraw/zinc/17/02/59/665170259.db2.gz DWQMZLLKGHGPRQ-HUUCEWRRSA-N 2 2 356.536 0.664 10 0 FCAELP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[NH+]3CCSC[C@H]23)[C@H](C)C1 ZINC000925159890 665175104 /nfs/dbraw/zinc/17/51/04/665175104.db2.gz JLQZUCSKPNZSEC-QKPAOTATSA-N 2 2 356.536 0.663 10 0 FCAELP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCC[NH+]3CCSC[C@H]23)[C@H](C)C1 ZINC000925159890 665175105 /nfs/dbraw/zinc/17/51/05/665175105.db2.gz JLQZUCSKPNZSEC-QKPAOTATSA-N 2 2 356.536 0.663 10 0 FCAELP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)[C@H](C)C1 ZINC000925159890 665175106 /nfs/dbraw/zinc/17/51/06/665175106.db2.gz JLQZUCSKPNZSEC-QKPAOTATSA-N 2 2 356.536 0.663 10 0 FCAELP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000897382677 665218895 /nfs/dbraw/zinc/21/88/95/665218895.db2.gz KUSXGDTVNDMSSD-ZNMIVQPWSA-N 2 2 354.495 0.201 10 0 FCAELP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000897382677 665218896 /nfs/dbraw/zinc/21/88/96/665218896.db2.gz KUSXGDTVNDMSSD-ZNMIVQPWSA-N 2 2 354.495 0.201 10 0 FCAELP CC[NH+]1CC[C@H]1CNC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000897382677 665218899 /nfs/dbraw/zinc/21/88/99/665218899.db2.gz KUSXGDTVNDMSSD-ZNMIVQPWSA-N 2 2 354.495 0.201 10 0 FCAELP CC[NH+]1CC[C@H]1CNC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000897382677 665218901 /nfs/dbraw/zinc/21/89/01/665218901.db2.gz KUSXGDTVNDMSSD-ZNMIVQPWSA-N 2 2 354.495 0.201 10 0 FCAELP 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ZINC000917223363 667064362 /nfs/dbraw/zinc/06/43/62/667064362.db2.gz HTUHBFLEXXJOLY-OAGGEKHMSA-N 2 2 355.552 0.501 10 0 FCAELP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000917223363 667064364 /nfs/dbraw/zinc/06/43/64/667064364.db2.gz HTUHBFLEXXJOLY-OAGGEKHMSA-N 2 2 355.552 0.501 10 0 FCAELP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000917223363 667064367 /nfs/dbraw/zinc/06/43/67/667064367.db2.gz HTUHBFLEXXJOLY-OAGGEKHMSA-N 2 2 355.552 0.501 10 0 FCAELP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000917223363 667064369 /nfs/dbraw/zinc/06/43/69/667064369.db2.gz HTUHBFLEXXJOLY-OAGGEKHMSA-N 2 2 355.552 0.501 10 0 FCAELP C[C@H](CNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)C[NH+]1CCOCC1 ZINC000919734971 667197954 /nfs/dbraw/zinc/19/79/54/667197954.db2.gz XETNEUZLRZAKDQ-OAGGEKHMSA-N 2 2 356.536 0.834 10 0 FCAELP C[C@H](CNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)C[NH+]1CCOCC1 ZINC000919734971 667197958 /nfs/dbraw/zinc/19/79/58/667197958.db2.gz XETNEUZLRZAKDQ-OAGGEKHMSA-N 2 2 356.536 0.834 10 0 FCAELP CCCN(C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000923499871 667842007 /nfs/dbraw/zinc/84/20/07/667842007.db2.gz NWHKBQYNQKOXBA-CAOSSQGBSA-N 2 2 359.536 0.717 10 0 FCAELP CCCN(C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000923499871 667842010 /nfs/dbraw/zinc/84/20/10/667842010.db2.gz NWHKBQYNQKOXBA-CAOSSQGBSA-N 2 2 359.536 0.717 10 0 FCAELP C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@]2(C)C1 ZINC000827597982 669582738 /nfs/dbraw/zinc/58/27/38/669582738.db2.gz IDWNDSOEDFBNOL-NEPXVJNWSA-N 2 2 351.491 0.666 10 0 FCAELP COCC[N@@H+]1CCN(C(=S)NCCC[NH+]2CCOCC2)C(C)(C)C1 ZINC000844593324 670930817 /nfs/dbraw/zinc/93/08/17/670930817.db2.gz OHQUXFRBJITPRK-UHFFFAOYSA-N 2 2 358.552 0.626 10 0 FCAELP COCC[N@H+]1CCN(C(=S)NCCC[NH+]2CCOCC2)C(C)(C)C1 ZINC000844593324 670930821 /nfs/dbraw/zinc/93/08/21/670930821.db2.gz OHQUXFRBJITPRK-UHFFFAOYSA-N 2 2 358.552 0.626 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC[C@@H]1CCSC1 ZINC000867368138 670942768 /nfs/dbraw/zinc/94/27/68/670942768.db2.gz ZTVJNMNNLSYDCH-OAHLLOKOSA-N 2 2 370.563 0.730 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC[C@@H]1CCSC1 ZINC000867368138 670942769 /nfs/dbraw/zinc/94/27/69/670942769.db2.gz ZTVJNMNNLSYDCH-OAHLLOKOSA-N 2 2 370.563 0.730 10 0 FCAELP CCOC(=O)[C@]1(F)C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CC12CCC2 ZINC000852318381 671501408 /nfs/dbraw/zinc/50/14/08/671501408.db2.gz YMOKJXJFYSYVGC-GOSISDBHSA-N 2 2 355.454 0.908 10 0 FCAELP CCOC(=O)[C@]1(F)C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CC12CCC2 ZINC000852318381 671501409 /nfs/dbraw/zinc/50/14/09/671501409.db2.gz YMOKJXJFYSYVGC-GOSISDBHSA-N 2 2 355.454 0.908 10 0 FCAELP O=S(=O)(CC[NH+]1CC[C@@H]2COC[C@@H]2C1)CC[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000852666382 671517860 /nfs/dbraw/zinc/51/78/60/671517860.db2.gz NHRUPGHHUNRWIP-BDXSIMOUSA-N 2 2 372.531 0.338 10 0 FCAELP O=S(=O)(CC[NH+]1CC[C@@H]2COC[C@@H]2C1)CC[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000852666382 671517862 /nfs/dbraw/zinc/51/78/62/671517862.db2.gz NHRUPGHHUNRWIP-BDXSIMOUSA-N 2 2 372.531 0.338 10 0 FCAELP CN(C[C@H](O)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C(=O)OC(C)(C)C ZINC000852707404 671518954 /nfs/dbraw/zinc/51/89/54/671518954.db2.gz HVRYLWAXPYIWMR-CVEARBPZSA-N 2 2 357.495 0.745 10 0 FCAELP CN(C[C@H](O)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)C(=O)OC(C)(C)C ZINC000852707404 671518957 /nfs/dbraw/zinc/51/89/57/671518957.db2.gz HVRYLWAXPYIWMR-CVEARBPZSA-N 2 2 357.495 0.745 10 0 FCAELP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857885114 671745040 /nfs/dbraw/zinc/74/50/40/671745040.db2.gz OSWSOOAEABMNGY-OCCSQVGLSA-N 2 2 351.451 0.769 10 0 FCAELP C[NH2+]CC[N@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)C(C)C ZINC000903570605 675946814 /nfs/dbraw/zinc/94/68/14/675946814.db2.gz SODYGUWWSGPYST-UHFFFAOYSA-N 2 2 353.467 0.592 10 0 FCAELP C[NH2+]CC[N@@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)C(C)C ZINC000903570605 675946815 /nfs/dbraw/zinc/94/68/15/675946815.db2.gz SODYGUWWSGPYST-UHFFFAOYSA-N 2 2 353.467 0.592 10 0 FCAELP C[NH+](C)CC(C)(C)CNC(=S)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000863209773 672104374 /nfs/dbraw/zinc/10/43/74/672104374.db2.gz FHHIRLBTXPOXAA-SFHVURJKSA-N 2 2 372.579 0.654 10 0 FCAELP C[NH+](C)CC(C)(C)CNC(=S)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000863209773 672104382 /nfs/dbraw/zinc/10/43/82/672104382.db2.gz FHHIRLBTXPOXAA-SFHVURJKSA-N 2 2 372.579 0.654 10 0 FCAELP C[NH+]1CCC(CNC(=S)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1 ZINC000863210894 672104675 /nfs/dbraw/zinc/10/46/75/672104675.db2.gz SJFILOMVWGUDHU-SFHVURJKSA-N 2 2 370.563 0.408 10 0 FCAELP C[NH+]1CCC(CNC(=S)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)CC1 ZINC000863210894 672104680 /nfs/dbraw/zinc/10/46/80/672104680.db2.gz SJFILOMVWGUDHU-SFHVURJKSA-N 2 2 370.563 0.408 10 0 FCAELP CC[N@@H+]1CCC[C@H]1CNC(=S)N1CC[NH+](CCc2cnccn2)CC1 ZINC000865259468 672235095 /nfs/dbraw/zinc/23/50/95/672235095.db2.gz IKLMNBSJHSVFRJ-KRWDZBQOSA-N 2 2 362.547 0.996 10 0 FCAELP CC[N@H+]1CCC[C@H]1CNC(=S)N1CC[NH+](CCc2cnccn2)CC1 ZINC000865259468 672235098 /nfs/dbraw/zinc/23/50/98/672235098.db2.gz IKLMNBSJHSVFRJ-KRWDZBQOSA-N 2 2 362.547 0.996 10 0 FCAELP C[NH+]1CCN(C(=O)C[NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)CC1 ZINC000865434242 672242454 /nfs/dbraw/zinc/24/24/54/672242454.db2.gz BRVPTFVDLQLJMB-UHFFFAOYSA-N 2 2 352.479 0.750 10 0 FCAELP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)CC[C@H]21 ZINC000868129729 672386781 /nfs/dbraw/zinc/38/67/81/672386781.db2.gz CISHFAWMWGFCEL-JFIYKMOQSA-N 2 2 368.547 0.930 10 0 FCAELP C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)CC[C@H]21 ZINC000868129729 672386784 /nfs/dbraw/zinc/38/67/84/672386784.db2.gz CISHFAWMWGFCEL-JFIYKMOQSA-N 2 2 368.547 0.930 10 0 FCAELP C[N@@H+]1CC[C@@H](NS(=O)(=O)N2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000923632359 672563750 /nfs/dbraw/zinc/56/37/50/672563750.db2.gz ACJPNLBPCGMRMK-CABCVRRESA-N 2 2 358.895 0.825 10 0 FCAELP C[N@H+]1CC[C@@H](NS(=O)(=O)N2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000923632359 672563751 /nfs/dbraw/zinc/56/37/51/672563751.db2.gz ACJPNLBPCGMRMK-CABCVRRESA-N 2 2 358.895 0.825 10 0 FCAELP C[N@@H+]1CC[C@H](NS(=O)(=O)N2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000923632364 672563854 /nfs/dbraw/zinc/56/38/54/672563854.db2.gz ACJPNLBPCGMRMK-GJZGRUSLSA-N 2 2 358.895 0.825 10 0 FCAELP C[N@H+]1CC[C@H](NS(=O)(=O)N2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000923632364 672563860 /nfs/dbraw/zinc/56/38/60/672563860.db2.gz ACJPNLBPCGMRMK-GJZGRUSLSA-N 2 2 358.895 0.825 10 0 FCAELP CN(CCCCCC[NH3+])C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000872186523 672596969 /nfs/dbraw/zinc/59/69/69/672596969.db2.gz WIFRTMGFUUCXLS-MRXNPFEDSA-N 2 2 354.495 0.287 10 0 FCAELP COC(=O)/C(C)=C\CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000925019482 673774365 /nfs/dbraw/zinc/77/43/65/673774365.db2.gz MHKWZLNTDCRXPH-HSLRFEFHSA-N 2 2 352.479 0.916 10 0 FCAELP COC(=O)/C(C)=C\CNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000925019482 673774368 /nfs/dbraw/zinc/77/43/68/673774368.db2.gz MHKWZLNTDCRXPH-HSLRFEFHSA-N 2 2 352.479 0.916 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000925150232 673777754 /nfs/dbraw/zinc/77/77/54/673777754.db2.gz WCHRRENFJYMUBL-HOTGVXAUSA-N 2 2 356.536 0.930 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000925150232 673777757 /nfs/dbraw/zinc/77/77/57/673777757.db2.gz WCHRRENFJYMUBL-HOTGVXAUSA-N 2 2 356.536 0.930 10 0 FCAELP C[C@@H]1CN(C(=O)N[C@H]2CCC[NH+]3CCSC[C@H]23)C[C@H](C)[N@H+]1CCO ZINC000925171683 673781783 /nfs/dbraw/zinc/78/17/83/673781783.db2.gz LEUNOCGXWODLNI-XUWVNRHRSA-N 2 2 356.536 0.663 10 0 FCAELP C[C@@H]1CN(C(=O)N[C@H]2CCC[NH+]3CCSC[C@H]23)C[C@H](C)[N@@H+]1CCO ZINC000925171683 673781786 /nfs/dbraw/zinc/78/17/86/673781786.db2.gz LEUNOCGXWODLNI-XUWVNRHRSA-N 2 2 356.536 0.663 10 0 FCAELP C[C@@H]1CN(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)C[C@H](C)[NH+]1CCO ZINC000925171683 673781789 /nfs/dbraw/zinc/78/17/89/673781789.db2.gz LEUNOCGXWODLNI-XUWVNRHRSA-N 2 2 356.536 0.663 10 0 FCAELP C[C@@H]1CN(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)C[C@H](C)[NH+]1CCO ZINC000925171683 673781792 /nfs/dbraw/zinc/78/17/92/673781792.db2.gz LEUNOCGXWODLNI-XUWVNRHRSA-N 2 2 356.536 0.663 10 0 FCAELP CN(CCO)S(=O)(=O)c1ccccc1C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925620421 673797534 /nfs/dbraw/zinc/79/75/34/673797534.db2.gz WEJPUDQJVYZEMG-HOTGVXAUSA-N 2 2 353.488 0.659 10 0 FCAELP CCO[C@H](CNC(=O)N1CCC(N2CC[NH+](C)CC2)CC1)C[NH+](C)C ZINC000926850763 673845757 /nfs/dbraw/zinc/84/57/57/673845757.db2.gz RRVMOOMJOXERDF-QGZVFWFLSA-N 2 2 355.527 0.375 10 0 FCAELP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000929403995 673954508 /nfs/dbraw/zinc/95/45/08/673954508.db2.gz OLVLDKVAEAOYDB-CYBMUJFWSA-N 2 2 367.519 0.812 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)n1 ZINC000929566351 673964254 /nfs/dbraw/zinc/96/42/54/673964254.db2.gz AIKHFXWLSARTJA-KGLIPLIRSA-N 2 2 365.503 0.564 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)n1 ZINC000929566351 673964256 /nfs/dbraw/zinc/96/42/56/673964256.db2.gz AIKHFXWLSARTJA-KGLIPLIRSA-N 2 2 365.503 0.564 10 0 FCAELP C[N@@H+]1CCC[C@@](O)(CC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000900334150 675674454 /nfs/dbraw/zinc/67/44/54/675674454.db2.gz HGWXAEUINCLLFV-DLBZAZTESA-N 2 2 357.520 0.157 10 0 FCAELP C[N@H+]1CCC[C@@](O)(CC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000900334150 675674456 /nfs/dbraw/zinc/67/44/56/675674456.db2.gz HGWXAEUINCLLFV-DLBZAZTESA-N 2 2 357.520 0.157 10 0 FCAELP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+]([C@H](CC)CO)CC2)C1 ZINC000901146938 675763859 /nfs/dbraw/zinc/76/38/59/675763859.db2.gz MXNPYYYKVBPJMW-HZPDHXFCSA-N 2 2 355.479 0.177 10 0 FCAELP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+]([C@H](CC)CO)CC2)C1 ZINC000901146938 675763862 /nfs/dbraw/zinc/76/38/62/675763862.db2.gz MXNPYYYKVBPJMW-HZPDHXFCSA-N 2 2 355.479 0.177 10 0 FCAELP CC[C@@H](CO)[NH+]1CCN(C(=O)CCC[NH+]2CCN(C(C)C)CC2)CC1 ZINC000901148038 675764163 /nfs/dbraw/zinc/76/41/63/675764163.db2.gz XMDOQZBKZSNTJI-SFHVURJKSA-N 2 2 354.539 0.708 10 0 FCAELP Cc1cc(NC(=O)C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)n(C)n1 ZINC001266692982 1170084353 /nfs/dbraw/zinc/08/43/53/1170084353.db2.gz KKFYEOKPOGAURW-XJFOESAGSA-N 2 2 371.445 0.431 10 0 FCAELP CN(CC1CC1)C(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001267045998 1171511253 /nfs/dbraw/zinc/51/12/53/1171511253.db2.gz WCRXAFWOCOPDOZ-BZUAXINKSA-N 2 2 359.474 0.820 10 0 FCAELP CN(CC1CC1)C(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001267045998 1171511256 /nfs/dbraw/zinc/51/12/56/1171511256.db2.gz WCRXAFWOCOPDOZ-BZUAXINKSA-N 2 2 359.474 0.820 10 0 FCAELP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001719727445 1179805056 /nfs/dbraw/zinc/80/50/56/1179805056.db2.gz PVXBTGWBJAAUMJ-HZPDHXFCSA-N 2 2 361.490 0.659 10 0 FCAELP 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CC(C)(C(=O)N1C[C@@H]2C[N@@H+](CCOCCO)CC[C@@H]2C1)c1c[nH+]c[nH]1 ZINC001489207646 1208672351 /nfs/dbraw/zinc/67/23/51/1208672351.db2.gz WIQIQBFSPYMNOM-CABCVRRESA-N 2 2 350.463 0.477 10 0 FCAELP CC(C)(C(=O)N1C[C@@H]2C[N@H+](CCOCCO)CC[C@@H]2C1)c1c[nH+]c[nH]1 ZINC001489207646 1208672358 /nfs/dbraw/zinc/67/23/58/1208672358.db2.gz WIQIQBFSPYMNOM-CABCVRRESA-N 2 2 350.463 0.477 10 0 FCAELP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@H]21 ZINC001489653500 1209040332 /nfs/dbraw/zinc/04/03/32/1209040332.db2.gz OHVYLMNXLUDZQF-NVXWUHKLSA-N 2 2 361.490 0.752 10 0 FCAELP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@H]21 ZINC001489653500 1209040336 /nfs/dbraw/zinc/04/03/36/1209040336.db2.gz OHVYLMNXLUDZQF-NVXWUHKLSA-N 2 2 361.490 0.752 10 0 FCAELP C[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@H]21 ZINC001489670278 1209081166 /nfs/dbraw/zinc/08/11/66/1209081166.db2.gz YHFXDFCJGMBNAI-IJEWVQPXSA-N 2 2 359.474 0.841 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CCN1C(=O)Cc1c[nH+]cn1C ZINC001490105031 1209232418 /nfs/dbraw/zinc/23/24/18/1209232418.db2.gz IVQDKHLTKSRXEP-INMHGKMJSA-N 2 2 361.490 0.943 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CCN1C(=O)Cc1c[nH+]cn1C ZINC001490105031 1209232423 /nfs/dbraw/zinc/23/24/23/1209232423.db2.gz IVQDKHLTKSRXEP-INMHGKMJSA-N 2 2 361.490 0.943 10 0 FCAELP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCc1c[nH+]cn1C ZINC001490671207 1209398145 /nfs/dbraw/zinc/39/81/45/1209398145.db2.gz URQFQLFRQGRESE-PVAVHDDUSA-N 2 2 361.490 0.943 10 0 FCAELP COC(=O)NC1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000852771208 1209563395 /nfs/dbraw/zinc/56/33/95/1209563395.db2.gz LBCBYRXVADARHY-MRXNPFEDSA-N 2 2 370.494 0.280 10 0 FCAELP COC(=O)NC1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000852771208 1209563402 /nfs/dbraw/zinc/56/34/02/1209563402.db2.gz LBCBYRXVADARHY-MRXNPFEDSA-N 2 2 370.494 0.280 10 0 FCAELP C[C@@H]1NC(C(=O)NCC[N@H+](C)CCC[NH+](C)C)=NN(c2ccccc2)C1=O ZINC000855416087 1209668853 /nfs/dbraw/zinc/66/88/53/1209668853.db2.gz FCWVLSCDCSZYQE-HNNXBMFYSA-N 2 2 374.489 0.325 10 0 FCAELP C[C@@H]1NC(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)=NN(c2ccccc2)C1=O ZINC000855416087 1209668856 /nfs/dbraw/zinc/66/88/56/1209668856.db2.gz FCWVLSCDCSZYQE-HNNXBMFYSA-N 2 2 374.489 0.325 10 0 FCAELP Cc1nnnn1/C(=C\c1ccccc1)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855416125 1209668934 /nfs/dbraw/zinc/66/89/34/1209668934.db2.gz GWWPZVLFRGRJHO-SDXDJHTJSA-N 2 2 371.489 0.979 10 0 FCAELP Cc1nnnn1/C(=C\c1ccccc1)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855416125 1209668936 /nfs/dbraw/zinc/66/89/36/1209668936.db2.gz GWWPZVLFRGRJHO-SDXDJHTJSA-N 2 2 371.489 0.979 10 0 FCAELP CC(=O)N1C[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)Oc2ccccc21 ZINC000855417266 1209669169 /nfs/dbraw/zinc/66/91/69/1209669169.db2.gz WODIOCWGKGBHJF-SFHVURJKSA-N 2 2 362.474 0.800 10 0 FCAELP CC(=O)N1C[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)Oc2ccccc21 ZINC000855417266 1209669172 /nfs/dbraw/zinc/66/91/72/1209669172.db2.gz WODIOCWGKGBHJF-SFHVURJKSA-N 2 2 362.474 0.800 10 0 FCAELP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cn(CC(N)=O)nn3)C2)ccn1 ZINC000856549129 1209716624 /nfs/dbraw/zinc/71/66/24/1209716624.db2.gz PAABEBQLTCSAEV-KRWDZBQOSA-N 2 2 373.461 0.263 10 0 FCAELP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cn(CC(N)=O)nn3)C2)ccn1 ZINC000856549129 1209716630 /nfs/dbraw/zinc/71/66/30/1209716630.db2.gz PAABEBQLTCSAEV-KRWDZBQOSA-N 2 2 373.461 0.263 10 0 FCAELP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cn(CC(N)=O)nn3)C2)ccn1 ZINC000856549129 1209716636 /nfs/dbraw/zinc/71/66/36/1209716636.db2.gz PAABEBQLTCSAEV-KRWDZBQOSA-N 2 2 373.461 0.263 10 0 FCAELP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cn(CC(N)=O)nn3)C2)ccn1 ZINC000856549129 1209716641 /nfs/dbraw/zinc/71/66/41/1209716641.db2.gz PAABEBQLTCSAEV-KRWDZBQOSA-N 2 2 373.461 0.263 10 0 FCAELP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856593949 1209716654 /nfs/dbraw/zinc/71/66/54/1209716654.db2.gz BYFKALQKFNWBJN-MRXNPFEDSA-N 2 2 363.462 0.832 10 0 FCAELP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856593949 1209716658 /nfs/dbraw/zinc/71/66/58/1209716658.db2.gz BYFKALQKFNWBJN-MRXNPFEDSA-N 2 2 363.462 0.832 10 0 FCAELP CCNC(=O)NC(=O)C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856593949 1209716667 /nfs/dbraw/zinc/71/66/67/1209716667.db2.gz BYFKALQKFNWBJN-MRXNPFEDSA-N 2 2 363.462 0.832 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1CN(CC(=O)N=c2cc(C(C)(C)C)[nH]n2C)C[C@H]1[NH3+] ZINC000864307584 1209957898 /nfs/dbraw/zinc/95/78/98/1209957898.db2.gz WSXVAKXNXDVNKY-CHWSQXEVSA-N 2 2 359.478 0.238 10 0 FCAELP C[C@@H](NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000865178939 1209974215 /nfs/dbraw/zinc/97/42/15/1209974215.db2.gz JSXHXKQDJYOMLV-ILXRZTDVSA-N 2 2 372.510 0.667 10 0 FCAELP CC(=O)NCC1CCC([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000865472256 1209979402 /nfs/dbraw/zinc/97/94/02/1209979402.db2.gz VWYMUYLQHTWRIW-DAWZGUTISA-N 2 2 366.506 0.204 10 0 FCAELP COc1cccc(NC(=O)C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866710007 1210003954 /nfs/dbraw/zinc/00/39/54/1210003954.db2.gz VUAINSNUTVDWTD-BMFZPTHFSA-N 2 2 360.414 0.501 10 0 FCAELP COc1cccc(NC(=O)C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866710007 1210003956 /nfs/dbraw/zinc/00/39/56/1210003956.db2.gz VUAINSNUTVDWTD-BMFZPTHFSA-N 2 2 360.414 0.501 10 0 FCAELP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000870979578 1210124030 /nfs/dbraw/zinc/12/40/30/1210124030.db2.gz PEIWMSIKKXNEQL-SJORKVTESA-N 2 2 363.458 0.593 10 0 FCAELP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000870979578 1210124038 /nfs/dbraw/zinc/12/40/38/1210124038.db2.gz PEIWMSIKKXNEQL-SJORKVTESA-N 2 2 363.458 0.593 10 0 FCAELP [NH3+][C@@H](C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1c(F)cccc1F ZINC000870997250 1210125151 /nfs/dbraw/zinc/12/51/51/1210125151.db2.gz LPOVRRIMPCKXAN-BXKLLYQPSA-N 2 2 366.368 0.358 10 0 FCAELP COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)nn1 ZINC001274368875 1211037595 /nfs/dbraw/zinc/03/75/95/1211037595.db2.gz NJIJBWSCHQQDMO-LRPXVYOUSA-N 2 2 356.430 0.784 10 0 FCAELP CCN(C)C(=O)C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001274375472 1211040216 /nfs/dbraw/zinc/04/02/16/1211040216.db2.gz RFVBKMIZLKHXFP-HUUCEWRRSA-N 2 2 361.490 0.973 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)N[C@@H](CCC4OCCO4)C3=O)C2)CC1 ZINC000924634845 1211475453 /nfs/dbraw/zinc/47/54/53/1211475453.db2.gz PFNRVNWDRMBGBL-GJZGRUSLSA-N 2 2 366.462 0.228 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)N[C@@H](CCC4OCCO4)C3=O)C2)CC1 ZINC000924634845 1211475455 /nfs/dbraw/zinc/47/54/55/1211475455.db2.gz PFNRVNWDRMBGBL-GJZGRUSLSA-N 2 2 366.462 0.228 10 0 FCAELP Cc1ccc(C[N@@H+]2CCO[C@H](CN3C(=O)N[C@@H](C[NH+](C)C)C3=O)C2)cc1 ZINC000925046042 1211489531 /nfs/dbraw/zinc/48/95/31/1211489531.db2.gz NSOQDTUNULJWDN-IRXDYDNUSA-N 2 2 360.458 0.678 10 0 FCAELP Cc1ccc(C[N@H+]2CCO[C@H](CN3C(=O)N[C@@H](C[NH+](C)C)C3=O)C2)cc1 ZINC000925046042 1211489534 /nfs/dbraw/zinc/48/95/34/1211489534.db2.gz NSOQDTUNULJWDN-IRXDYDNUSA-N 2 2 360.458 0.678 10 0 FCAELP O=C1NCC2(CCOCC2)[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000925134496 1211491306 /nfs/dbraw/zinc/49/13/06/1211491306.db2.gz SEWGDDVXHZXUHG-YLJYHZDGSA-N 2 2 359.470 0.508 10 0 FCAELP O=C1NCC2(CCOCC2)[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000925134496 1211491307 /nfs/dbraw/zinc/49/13/07/1211491307.db2.gz SEWGDDVXHZXUHG-YLJYHZDGSA-N 2 2 359.470 0.508 10 0 FCAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000925838031 1211508434 /nfs/dbraw/zinc/50/84/34/1211508434.db2.gz JMDWUCOUHGWUND-WBVHZDCISA-N 2 2 362.474 0.118 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC[N@@H+]1Cc1ccccc1 ZINC000926377752 1211542186 /nfs/dbraw/zinc/54/21/86/1211542186.db2.gz LAOOBMSJFDMICS-UZLBHIALSA-N 2 2 374.485 0.032 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC[N@H+]1Cc1ccccc1 ZINC000926377752 1211542190 /nfs/dbraw/zinc/54/21/90/1211542190.db2.gz LAOOBMSJFDMICS-UZLBHIALSA-N 2 2 374.485 0.032 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)CC[C@H]1C[NH3+] ZINC000926390294 1211544850 /nfs/dbraw/zinc/54/48/50/1211544850.db2.gz YKOYNIGAPZEPTG-NZSAHSFTSA-N 2 2 372.513 0.815 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)CC[C@H]1C[NH3+] ZINC000926390294 1211544852 /nfs/dbraw/zinc/54/48/52/1211544852.db2.gz YKOYNIGAPZEPTG-NZSAHSFTSA-N 2 2 372.513 0.815 10 0 FCAELP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000928647091 1211607645 /nfs/dbraw/zinc/60/76/45/1211607645.db2.gz DVFMIWPFMVEXDA-SQNIBIBYSA-N 2 2 363.506 0.682 10 0 FCAELP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000928647091 1211607649 /nfs/dbraw/zinc/60/76/49/1211607649.db2.gz DVFMIWPFMVEXDA-SQNIBIBYSA-N 2 2 363.506 0.682 10 0 FCAELP CCO[C@@H](CNC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1)C[NH+](C)C ZINC000929606223 1211649652 /nfs/dbraw/zinc/64/96/52/1211649652.db2.gz LIKRQDCZVRDVCB-INIZCTEOSA-N 2 2 373.457 0.571 10 0 FCAELP C[C@@H]1C[N@H+](C[C@@H]2CN=C(c3cnn(C)c3)O2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000930137407 1211689899 /nfs/dbraw/zinc/68/98/99/1211689899.db2.gz SOUAMXCPKHTRQE-NJAFHUGGSA-N 2 2 360.506 0.523 10 0 FCAELP C[C@@H]1C[N@@H+](C[C@@H]2CN=C(c3cnn(C)c3)O2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000930137407 1211689906 /nfs/dbraw/zinc/68/99/06/1211689906.db2.gz SOUAMXCPKHTRQE-NJAFHUGGSA-N 2 2 360.506 0.523 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000930947417 1211729928 /nfs/dbraw/zinc/72/99/28/1211729928.db2.gz AFAYKDZNNYNITN-HRCADAONSA-N 2 2 368.522 0.448 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000930947417 1211729932 /nfs/dbraw/zinc/72/99/32/1211729932.db2.gz AFAYKDZNNYNITN-HRCADAONSA-N 2 2 368.522 0.448 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCC[NH+]1CCC(C)(C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000930947417 1211729936 /nfs/dbraw/zinc/72/99/36/1211729936.db2.gz AFAYKDZNNYNITN-HRCADAONSA-N 2 2 368.522 0.448 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCC[NH+]1CCC(C)(C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000930947417 1211729938 /nfs/dbraw/zinc/72/99/38/1211729938.db2.gz AFAYKDZNNYNITN-HRCADAONSA-N 2 2 368.522 0.448 10 0 FCAELP C[N@H+]1C[C@H]2CC[C@@H](C1)N2CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000931396192 1211752626 /nfs/dbraw/zinc/75/26/26/1211752626.db2.gz MAMUDAKBXBOVLF-HDICACEKSA-N 2 2 364.534 0.916 10 0 FCAELP C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000931396192 1211752629 /nfs/dbraw/zinc/75/26/29/1211752629.db2.gz MAMUDAKBXBOVLF-HDICACEKSA-N 2 2 364.534 0.916 10 0 FCAELP C[NH+](C)CCOC1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000932678814 1211816766 /nfs/dbraw/zinc/81/67/66/1211816766.db2.gz LOYKMTLSQUPORT-MSOLQXFVSA-N 2 2 369.506 0.435 10 0 FCAELP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)cc2)CC1 ZINC000900412106 1217985153 /nfs/dbraw/zinc/98/51/53/1217985153.db2.gz HMKITPIDAHVRHX-XLIONFOSSA-N 2 2 374.485 0.858 10 0 FCAELP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)cc2)CC1 ZINC000900412106 1217985163 /nfs/dbraw/zinc/98/51/63/1217985163.db2.gz HMKITPIDAHVRHX-XLIONFOSSA-N 2 2 374.485 0.858 10 0 FCAELP C/C(=C\C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C[NH+]1CCOCC1 ZINC000900497492 1217998625 /nfs/dbraw/zinc/99/86/25/1217998625.db2.gz ORSMOAYLSFKRLA-ZQHZRZASSA-N 2 2 366.506 0.324 10 0 FCAELP C/C(=C\C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C[NH+]1CCOCC1 ZINC000900497492 1217998628 /nfs/dbraw/zinc/99/86/28/1217998628.db2.gz ORSMOAYLSFKRLA-ZQHZRZASSA-N 2 2 366.506 0.324 10 0 FCAELP [NH3+][C@H]1CN(C(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC[C@H]1C(F)(F)F ZINC000903740998 1218512107 /nfs/dbraw/zinc/51/21/07/1218512107.db2.gz ARXHSMWOGDSKPO-NEPJUHHUSA-N 2 2 373.379 0.854 10 0 FCAELP [NH3+][C@H]1CN(C(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC[C@H]1C(F)(F)F ZINC000903740998 1218512116 /nfs/dbraw/zinc/51/21/16/1218512116.db2.gz ARXHSMWOGDSKPO-NEPJUHHUSA-N 2 2 373.379 0.854 10 0 FCAELP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)cnn1C ZINC000903918379 1218565286 /nfs/dbraw/zinc/56/52/86/1218565286.db2.gz XXWZKCUBVPMNSB-WMZOPIPTSA-N 2 2 362.522 0.924 10 0 FCAELP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)cnn1C ZINC000903918379 1218565290 /nfs/dbraw/zinc/56/52/90/1218565290.db2.gz XXWZKCUBVPMNSB-WMZOPIPTSA-N 2 2 362.522 0.924 10 0 FCAELP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000804059273 1219115321 /nfs/dbraw/zinc/11/53/21/1219115321.db2.gz YMVWURGVWSWHMS-HUUCEWRRSA-N 2 2 361.446 0.095 10 0 FCAELP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000804059273 1219115325 /nfs/dbraw/zinc/11/53/25/1219115325.db2.gz YMVWURGVWSWHMS-HUUCEWRRSA-N 2 2 361.446 0.095 10 0 FCAELP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000804059273 1219115330 /nfs/dbraw/zinc/11/53/30/1219115330.db2.gz YMVWURGVWSWHMS-HUUCEWRRSA-N 2 2 361.446 0.095 10 0 FCAELP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000804059273 1219115336 /nfs/dbraw/zinc/11/53/36/1219115336.db2.gz YMVWURGVWSWHMS-HUUCEWRRSA-N 2 2 361.446 0.095 10 0 FCAELP C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@@H]1F ZINC001117141082 1221478887 /nfs/dbraw/zinc/47/88/87/1221478887.db2.gz PEFYDGVGZNXFCD-YOEHRIQHSA-N 2 2 368.497 0.868 10 0 FCAELP C[NH+](C)[C@]1(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)COc2ccccc2C1 ZINC001123778787 1222356904 /nfs/dbraw/zinc/35/69/04/1222356904.db2.gz AFUNFQIEWAJAJF-UWVAXJGDSA-N 2 2 359.470 0.589 10 0 FCAELP C[NH+](C)[C@]1(C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)COc2ccccc2C1 ZINC001123778787 1222356907 /nfs/dbraw/zinc/35/69/07/1222356907.db2.gz AFUNFQIEWAJAJF-UWVAXJGDSA-N 2 2 359.470 0.589 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3COC4(CCC4)C3)C2)CC1 ZINC000828202881 1222396329 /nfs/dbraw/zinc/39/63/29/1222396329.db2.gz NAQYRWYONFRFIV-GJZGRUSLSA-N 2 2 364.490 0.099 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3COC4(CCC4)C3)C2)CC1 ZINC000828202881 1222396334 /nfs/dbraw/zinc/39/63/34/1222396334.db2.gz NAQYRWYONFRFIV-GJZGRUSLSA-N 2 2 364.490 0.099 10 0 FCAELP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cn1 ZINC000841223217 1222814799 /nfs/dbraw/zinc/81/47/99/1222814799.db2.gz CODAKGIJNDZOIG-GASCZTMLSA-N 2 2 354.414 0.867 10 0 FCAELP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)C[C@@H]1C ZINC000843249844 1222863708 /nfs/dbraw/zinc/86/37/08/1222863708.db2.gz OAZDWHNFJKCWFL-UXLLHSPISA-N 2 2 366.506 0.249 10 0 FCAELP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)C[C@@H]1C ZINC000843249844 1222863712 /nfs/dbraw/zinc/86/37/12/1222863712.db2.gz OAZDWHNFJKCWFL-UXLLHSPISA-N 2 2 366.506 0.249 10 0 FCAELP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1C ZINC000843249844 1222863716 /nfs/dbraw/zinc/86/37/16/1222863716.db2.gz OAZDWHNFJKCWFL-UXLLHSPISA-N 2 2 366.506 0.249 10 0 FCAELP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)C[C@@H]1C ZINC000843249844 1222863717 /nfs/dbraw/zinc/86/37/17/1222863717.db2.gz OAZDWHNFJKCWFL-UXLLHSPISA-N 2 2 366.506 0.249 10 0 FCAELP CN1C(=O)C[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)[C@H]1c1cccnc1 ZINC001166160172 1223268113 /nfs/dbraw/zinc/26/81/13/1223268113.db2.gz MOGIKQQFQFSHRH-FUHWJXTLSA-N 2 2 361.490 0.601 10 0 FCAELP CN1C(=O)C[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[C@H]1c1cccnc1 ZINC001166160172 1223268115 /nfs/dbraw/zinc/26/81/15/1223268115.db2.gz MOGIKQQFQFSHRH-FUHWJXTLSA-N 2 2 361.490 0.601 10 0 FCAELP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCC(C)(C)[NH+]2CCOCC2)cn1 ZINC000849482628 1245396859 /nfs/dbraw/zinc/39/68/59/1245396859.db2.gz SALJVTOAJQBYHJ-DLBZAZTESA-N 2 2 363.506 0.682 10 0 FCAELP 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C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)[C@H](C)[NH+]1CCOCC1 ZINC000849521949 1245399152 /nfs/dbraw/zinc/39/91/52/1245399152.db2.gz HXYWRSKVXKKMDI-ONIAQPFYSA-N 2 2 363.506 0.681 10 0 FCAELP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)[C@H](C)[NH+]1CCOCC1 ZINC000849521949 1245399155 /nfs/dbraw/zinc/39/91/55/1245399155.db2.gz HXYWRSKVXKKMDI-ONIAQPFYSA-N 2 2 363.506 0.681 10 0 FCAELP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000897235378 1245467442 /nfs/dbraw/zinc/46/74/42/1245467442.db2.gz RDQQJCHEXBYBOA-GUDVDZBRSA-N 2 2 361.486 0.831 10 0 FCAELP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000897235378 1245467448 /nfs/dbraw/zinc/46/74/48/1245467448.db2.gz RDQQJCHEXBYBOA-GUDVDZBRSA-N 2 2 361.486 0.831 10 0 FCAELP Cc1cccc(OC[C@H](O)C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000923398625 1245715208 /nfs/dbraw/zinc/71/52/08/1245715208.db2.gz MJZJAGPAWMMGEC-QGZVFWFLSA-N 2 2 362.474 0.378 10 0 FCAELP 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O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N(CCO)CC[NH2+]Cc1ccc2nonc2c1 ZINC001484485344 1263475770 /nfs/dbraw/zinc/47/57/70/1263475770.db2.gz GRMOLDLCAGTWKB-ZIAGYGMSSA-N 2 2 370.413 0.660 10 0 FCAELP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N(CCO)CC[NH2+]Cc1ccc2nonc2c1 ZINC001484485344 1263475772 /nfs/dbraw/zinc/47/57/72/1263475772.db2.gz GRMOLDLCAGTWKB-ZIAGYGMSSA-N 2 2 370.413 0.660 10 0 FCAELP CCOCCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001484701732 1263483222 /nfs/dbraw/zinc/48/32/22/1263483222.db2.gz LVEJUECHTLZPBE-FGTMMUONSA-N 2 2 352.523 0.582 10 0 FCAELP CCOCCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001484701732 1263483225 /nfs/dbraw/zinc/48/32/25/1263483225.db2.gz LVEJUECHTLZPBE-FGTMMUONSA-N 2 2 352.523 0.582 10 0 FCAELP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001316988243 1263498221 /nfs/dbraw/zinc/49/82/21/1263498221.db2.gz SGUBDHRDHAYISJ-RBSFLKMASA-N 2 2 362.478 0.422 10 0 FCAELP CC(C)NC(=O)NCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001316988243 1263498224 /nfs/dbraw/zinc/49/82/24/1263498224.db2.gz SGUBDHRDHAYISJ-RBSFLKMASA-N 2 2 362.478 0.422 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]Cc2nc(N(C)C)no2)C2CC2)CC[N@@H+]1C ZINC001317015729 1263499244 /nfs/dbraw/zinc/49/92/44/1263499244.db2.gz ALEXDXQGFRFMNI-SOUVJXGZSA-N 2 2 364.494 0.850 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]Cc2nc(N(C)C)no2)C2CC2)CC[N@H+]1C ZINC001317015729 1263499251 /nfs/dbraw/zinc/49/92/51/1263499251.db2.gz ALEXDXQGFRFMNI-SOUVJXGZSA-N 2 2 364.494 0.850 10 0 FCAELP C[N@H+](CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)CC1CCOCC1 ZINC001317454856 1263511380 /nfs/dbraw/zinc/51/13/80/1263511380.db2.gz XVTFNTDZJGSRFD-MSOLQXFVSA-N 2 2 369.506 0.341 10 0 FCAELP C[N@@H+](CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)CC1CCOCC1 ZINC001317454856 1263511388 /nfs/dbraw/zinc/51/13/88/1263511388.db2.gz XVTFNTDZJGSRFD-MSOLQXFVSA-N 2 2 369.506 0.341 10 0 FCAELP CC1CCN(C(=O)C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001317631539 1263518453 /nfs/dbraw/zinc/51/84/53/1263518453.db2.gz YNDXMYMVVWXFQL-HZPDHXFCSA-N 2 2 361.490 0.830 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc2nc(C(C)C)no2)CC[N@@H+]1C ZINC001486278011 1263529043 /nfs/dbraw/zinc/52/90/43/1263529043.db2.gz LCYVZVHYBUFMQR-QLFBSQMISA-N 2 2 367.494 0.832 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc2nc(C(C)C)no2)CC[N@H+]1C ZINC001486278011 1263529047 /nfs/dbraw/zinc/52/90/47/1263529047.db2.gz LCYVZVHYBUFMQR-QLFBSQMISA-N 2 2 367.494 0.832 10 0 FCAELP CCC[N@H+](C)CC(=O)N1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001487223671 1263596217 /nfs/dbraw/zinc/59/62/17/1263596217.db2.gz CENDTRUBXABRLM-FVQBIDKESA-N 2 2 361.490 0.829 10 0 FCAELP CCC[N@@H+](C)CC(=O)N1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001487223671 1263596223 /nfs/dbraw/zinc/59/62/23/1263596223.db2.gz CENDTRUBXABRLM-FVQBIDKESA-N 2 2 361.490 0.829 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]Cc2cc(=O)n3[nH]ccc3n2)CC[N@@H+]1C ZINC001493551659 1263727142 /nfs/dbraw/zinc/72/71/42/1263727142.db2.gz RDTJZDZFJMRRPN-LSDHHAIUSA-N 2 2 360.462 0.301 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]Cc2cc(=O)n3[nH]ccc3n2)CC[N@H+]1C ZINC001493551659 1263727145 /nfs/dbraw/zinc/72/71/45/1263727145.db2.gz RDTJZDZFJMRRPN-LSDHHAIUSA-N 2 2 360.462 0.301 10 0 FCAELP CN(CC[NH2+]C[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001493699623 1263737198 /nfs/dbraw/zinc/73/71/98/1263737198.db2.gz NNOLAIWVXTVKKH-MGPQQGTHSA-N 2 2 354.476 0.006 10 0 FCAELP O=C(Cn1cc[nH+]c1)NC[C@@H](O)C[NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001497126657 1263916523 /nfs/dbraw/zinc/91/65/23/1263916523.db2.gz OBJBZLCALDZSMQ-ZOBUZTSGSA-N 2 2 364.396 0.999 10 0 FCAELP O=C(NCC1([NH2+]CC2CCC2)CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001499299767 1264022540 /nfs/dbraw/zinc/02/25/40/1264022540.db2.gz UCBGVWVPTJUCCH-SJORKVTESA-N 2 2 351.491 0.905 10 0 FCAELP C[C@H](C[NH2+]CC(=O)Nc1ccc(O)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001321653198 1264023904 /nfs/dbraw/zinc/02/39/04/1264023904.db2.gz XDIJZAQOJKFLDE-DAXOMENPSA-N 2 2 371.441 0.962 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[NH+](Cc3nocc3C)C2)CC[N@@H+]1C ZINC001500677160 1264077809 /nfs/dbraw/zinc/07/78/09/1264077809.db2.gz DILAAKABZSLOPM-YXJHDRRASA-N 2 2 350.463 0.766 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[NH+](Cc3nocc3C)C2)CC[N@H+]1C ZINC001500677160 1264077818 /nfs/dbraw/zinc/07/78/18/1264077818.db2.gz DILAAKABZSLOPM-YXJHDRRASA-N 2 2 350.463 0.766 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[N@H+](Cc3nocc3C)C2)CC[NH+]1C ZINC001500677160 1264077828 /nfs/dbraw/zinc/07/78/28/1264077828.db2.gz DILAAKABZSLOPM-YXJHDRRASA-N 2 2 350.463 0.766 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](Cc3nocc3C)C2)CC[NH+]1C ZINC001500677160 1264077839 /nfs/dbraw/zinc/07/78/39/1264077839.db2.gz DILAAKABZSLOPM-YXJHDRRASA-N 2 2 350.463 0.766 10 0 FCAELP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]Cc2nn(C)cc2Cl)CC[N@@H+]1C ZINC001501459530 1264123479 /nfs/dbraw/zinc/12/34/79/1264123479.db2.gz RKVUIKAITPDRNJ-CHWSQXEVSA-N 2 2 357.886 0.324 10 0 FCAELP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]Cc2nn(C)cc2Cl)CC[N@H+]1C ZINC001501459530 1264123483 /nfs/dbraw/zinc/12/34/83/1264123483.db2.gz RKVUIKAITPDRNJ-CHWSQXEVSA-N 2 2 357.886 0.324 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(CCO)C[NH+](CC[C@H]2CCOC2)C1 ZINC001506119495 1264294827 /nfs/dbraw/zinc/29/48/27/1264294827.db2.gz ZHEBRPCHACHVAU-ARFHVFGLSA-N 2 2 362.474 0.503 10 0 FCAELP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc2nc(C3CC3)no2)CC[N@@H+]1C ZINC001507477912 1264362105 /nfs/dbraw/zinc/36/21/05/1264362105.db2.gz AXGBKFPFLCBZBZ-MRVWCRGKSA-N 2 2 351.451 0.196 10 0 FCAELP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc2nc(C3CC3)no2)CC[N@H+]1C ZINC001507477912 1264362114 /nfs/dbraw/zinc/36/21/14/1264362114.db2.gz AXGBKFPFLCBZBZ-MRVWCRGKSA-N 2 2 351.451 0.196 10 0 FCAELP CCN(C)C(=O)C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001508219604 1264399565 /nfs/dbraw/zinc/39/95/65/1264399565.db2.gz PGYFUSDQHCLMLM-HZPDHXFCSA-N 2 2 359.474 0.750 10 0 FCAELP CCN(C)C(=O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001508219604 1264399573 /nfs/dbraw/zinc/39/95/73/1264399573.db2.gz PGYFUSDQHCLMLM-HZPDHXFCSA-N 2 2 359.474 0.750 10 0 FCAELP C[NH+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001512827739 1264678553 /nfs/dbraw/zinc/67/85/53/1264678553.db2.gz FDOOQAVWHFDMHW-YQQAZPJKSA-N 2 2 359.474 0.457 10 0 FCAELP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC001324866134 1264720907 /nfs/dbraw/zinc/72/09/07/1264720907.db2.gz MATWIVHQYWHWOK-KRWDZBQOSA-N 2 2 355.442 0.758 10 0 FCAELP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC001324866134 1264720914 /nfs/dbraw/zinc/72/09/14/1264720914.db2.gz MATWIVHQYWHWOK-KRWDZBQOSA-N 2 2 355.442 0.758 10 0 FCAELP C[NH2+]C1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001325406620 1264876472 /nfs/dbraw/zinc/87/64/72/1264876472.db2.gz NJQYLRRMFKVLDH-UHFFFAOYSA-N 2 2 373.501 0.135 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC3CCC(F)CC3)C2)CC1 ZINC001326410209 1265109203 /nfs/dbraw/zinc/10/92/03/1265109203.db2.gz OMCUNCNYFBOOAK-GPANFISMSA-N 2 2 368.497 0.916 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC3CCC(F)CC3)C2)CC1 ZINC001326410209 1265109205 /nfs/dbraw/zinc/10/92/05/1265109205.db2.gz OMCUNCNYFBOOAK-GPANFISMSA-N 2 2 368.497 0.916 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1([NH2+]C[C@H]2CCc3ncnn32)CCC1 ZINC001326889039 1265191640 /nfs/dbraw/zinc/19/16/40/1265191640.db2.gz FBFRXWVXHGFWDH-RBSFLKMASA-N 2 2 369.473 0.931 10 0 FCAELP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001513951638 1265303375 /nfs/dbraw/zinc/30/33/75/1265303375.db2.gz ZCRCBBPSLGBGFC-OWCLPIDISA-N 2 2 365.453 0.622 10 0 FCAELP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001514316423 1265337224 /nfs/dbraw/zinc/33/72/24/1265337224.db2.gz AZSGRTLDSDSMHH-BZUAXINKSA-N 2 2 354.495 0.202 10 0 FCAELP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001514316423 1265337237 /nfs/dbraw/zinc/33/72/37/1265337237.db2.gz AZSGRTLDSDSMHH-BZUAXINKSA-N 2 2 354.495 0.202 10 0 FCAELP CCC[NH+](C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001514316423 1265337249 /nfs/dbraw/zinc/33/72/49/1265337249.db2.gz AZSGRTLDSDSMHH-BZUAXINKSA-N 2 2 354.495 0.202 10 0 FCAELP CCC[NH+](C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001514316423 1265337259 /nfs/dbraw/zinc/33/72/59/1265337259.db2.gz AZSGRTLDSDSMHH-BZUAXINKSA-N 2 2 354.495 0.202 10 0 FCAELP Cn1cc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCOCC2)cn1 ZINC001327638701 1265382550 /nfs/dbraw/zinc/38/25/50/1265382550.db2.gz IPRSBDFZEJQEAV-HUUCEWRRSA-N 2 2 358.446 0.702 10 0 FCAELP Cn1cc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCOCC2)cn1 ZINC001327638701 1265382559 /nfs/dbraw/zinc/38/25/59/1265382559.db2.gz IPRSBDFZEJQEAV-HUUCEWRRSA-N 2 2 358.446 0.702 10 0 FCAELP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NC[C@@]2(CO)COCC[NH2+]2)c1 ZINC001332702246 1266463869 /nfs/dbraw/zinc/46/38/69/1266463869.db2.gz FSZKFOWHLSQKOO-UYAOXDASSA-N 2 2 361.486 0.817 10 0 FCAELP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)NC[C@@]2(CO)COCC[NH2+]2)c1 ZINC001332702246 1266463873 /nfs/dbraw/zinc/46/38/73/1266463873.db2.gz FSZKFOWHLSQKOO-UYAOXDASSA-N 2 2 361.486 0.817 10 0 FCAELP CC[NH+]1CCN(C2CN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)C2)CC1 ZINC001522289942 1266469976 /nfs/dbraw/zinc/46/99/76/1266469976.db2.gz QGDUIGWQJMSFSX-GOSISDBHSA-N 2 2 350.507 0.478 10 0 FCAELP CC[NH+]1CCN(C2CN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)C2)CC1 ZINC001522289942 1266469979 /nfs/dbraw/zinc/46/99/79/1266469979.db2.gz QGDUIGWQJMSFSX-GOSISDBHSA-N 2 2 350.507 0.478 10 0 FCAELP Cn1ccnc1C[NH+]1CCC(C(=O)N(CCO)C2CC[NH+](C)CC2)CC1 ZINC001333384637 1266589238 /nfs/dbraw/zinc/58/92/38/1266589238.db2.gz UTZRXUHBXUGFLD-UHFFFAOYSA-N 2 2 363.506 0.547 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCC3(C)CC(F)(F)C3)C2)CC1 ZINC001333794497 1266718947 /nfs/dbraw/zinc/71/89/47/1266718947.db2.gz XFHYEJNSJDPIOT-CYBMUJFWSA-N 2 2 372.460 0.823 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCC3(C)CC(F)(F)C3)C2)CC1 ZINC001333794497 1266718952 /nfs/dbraw/zinc/71/89/52/1266718952.db2.gz XFHYEJNSJDPIOT-CYBMUJFWSA-N 2 2 372.460 0.823 10 0 FCAELP Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)C2 ZINC001334140267 1266850136 /nfs/dbraw/zinc/85/01/36/1266850136.db2.gz QIMBIGWQIDKBJS-KSSFIOAISA-N 2 2 350.463 0.004 10 0 FCAELP Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)C[C@@]1(O)CCC[N@H+](C)C1)C2 ZINC001334140267 1266850153 /nfs/dbraw/zinc/85/01/53/1266850153.db2.gz QIMBIGWQIDKBJS-KSSFIOAISA-N 2 2 350.463 0.004 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC/C=C\CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1C ZINC001533522618 1267222725 /nfs/dbraw/zinc/22/27/25/1267222725.db2.gz CWDRPLWBYWTTOY-ZESBSSJPSA-N 2 2 359.474 0.574 10 0 FCAELP 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CC(C)[C@H](C(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)[NH+](C)C ZINC001705344795 1286381713 /nfs/dbraw/zinc/38/17/13/1286381713.db2.gz UBJDTYBKLMVJLT-BFYDXBDKSA-N 2 2 361.490 0.779 10 0 FCAELP CCOCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001707040058 1286434855 /nfs/dbraw/zinc/43/48/55/1286434855.db2.gz DMSFHVIEGZFKTF-GVDBMIGSSA-N 2 2 366.506 0.014 10 0 FCAELP CCOCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001707040058 1286434857 /nfs/dbraw/zinc/43/48/57/1286434857.db2.gz DMSFHVIEGZFKTF-GVDBMIGSSA-N 2 2 366.506 0.014 10 0 FCAELP CCOCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001707040058 1286434859 /nfs/dbraw/zinc/43/48/59/1286434859.db2.gz DMSFHVIEGZFKTF-GVDBMIGSSA-N 2 2 366.506 0.014 10 0 FCAELP CCOCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001707040058 1286434862 /nfs/dbraw/zinc/43/48/62/1286434862.db2.gz DMSFHVIEGZFKTF-GVDBMIGSSA-N 2 2 366.506 0.014 10 0 FCAELP 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C[C@H](O)CCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCOCC1 ZINC001724354049 1288435882 /nfs/dbraw/zinc/43/58/82/1288435882.db2.gz WKSVMBOYKJCASP-RRFJBIMHSA-N 2 2 350.463 0.929 10 0 FCAELP CC(C)CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001725362796 1288466042 /nfs/dbraw/zinc/46/60/42/1288466042.db2.gz AKDDHTSBDSAPCG-KLHDSHLOSA-N 2 2 361.490 0.780 10 0 FCAELP CCCNC(=O)C[NH2+][C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1(C)C ZINC001725675136 1288472541 /nfs/dbraw/zinc/47/25/41/1288472541.db2.gz HXOCIFJZPTXFCD-FMKPAKJESA-N 2 2 361.490 0.876 10 0 FCAELP CC(C)NC(=O)NCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001731453762 1288557679 /nfs/dbraw/zinc/55/76/79/1288557679.db2.gz SJYUOQKXDCIWFH-KBUPBQIOSA-N 2 2 362.478 0.468 10 0 FCAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[NH2+]CCNC(=O)NC(C)(C)C ZINC001732350047 1288581849 /nfs/dbraw/zinc/58/18/49/1288581849.db2.gz UCTMAMVKGXXSRS-BFHYXJOUSA-N 2 2 364.494 0.953 10 0 FCAELP 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0.627 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000284139020 213082224 /nfs/dbraw/zinc/08/22/24/213082224.db2.gz VEPYKNQZRNJBEP-NJAFHUGGSA-N 2 2 374.485 0.385 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000284139020 213082226 /nfs/dbraw/zinc/08/22/26/213082226.db2.gz VEPYKNQZRNJBEP-NJAFHUGGSA-N 2 2 374.485 0.385 10 0 FCAELP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CCSC1 ZINC000284058372 213065642 /nfs/dbraw/zinc/06/56/42/213065642.db2.gz LXDJRWIZLOEWMN-KRWDZBQOSA-N 2 2 365.503 0.669 10 0 FCAELP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000283978100 213047353 /nfs/dbraw/zinc/04/73/53/213047353.db2.gz PDZHYQXWTOAGSU-CYBMUJFWSA-N 2 2 361.421 0.905 10 0 FCAELP Cn1cc(C[NH2+]C[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)cn1 ZINC000365208412 215792021 /nfs/dbraw/zinc/79/20/21/215792021.db2.gz ZBUIXQOHHFSRJB-HNNXBMFYSA-N 2 2 371.489 0.356 10 0 FCAELP 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ZINC000367850667 216171333 /nfs/dbraw/zinc/17/13/33/216171333.db2.gz RNPUDXIEYDACKL-MJGOQNOKSA-N 3 2 352.523 0.487 10 0 FCAELP Cc1cnn([C@@H]2CC[NH+](CC(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)C2)c1 ZINC000368088250 216202102 /nfs/dbraw/zinc/20/21/02/216202102.db2.gz FUEGVIDAXMMGNS-QZTJIDSGSA-N 2 2 363.506 0.911 10 0 FCAELP Cc1cnn([C@@H]2CC[NH+](CC(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)C2)c1 ZINC000368088250 216202107 /nfs/dbraw/zinc/20/21/07/216202107.db2.gz FUEGVIDAXMMGNS-QZTJIDSGSA-N 2 2 363.506 0.911 10 0 FCAELP Cc1cnn([C@@H]2CC[N@@H+](CC(=O)NC[C@@H]3C[NH+](CC(C)C)CCO3)C2)c1 ZINC000368088250 216202111 /nfs/dbraw/zinc/20/21/11/216202111.db2.gz FUEGVIDAXMMGNS-QZTJIDSGSA-N 2 2 363.506 0.911 10 0 FCAELP Cc1cnn([C@@H]2CC[N@H+](CC(=O)NC[C@@H]3C[NH+](CC(C)C)CCO3)C2)c1 ZINC000368088250 216202115 /nfs/dbraw/zinc/20/21/15/216202115.db2.gz FUEGVIDAXMMGNS-QZTJIDSGSA-N 2 2 363.506 0.911 10 0 FCAELP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000368189729 216213691 /nfs/dbraw/zinc/21/36/91/216213691.db2.gz JOBFAUIQBHZZKH-AWEZNQCLSA-N 2 2 360.462 0.217 10 0 FCAELP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000368189729 216213694 /nfs/dbraw/zinc/21/36/94/216213694.db2.gz JOBFAUIQBHZZKH-AWEZNQCLSA-N 2 2 360.462 0.217 10 0 FCAELP CC(C)N1CC[C@H]([NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)C1=O ZINC000245479482 209368330 /nfs/dbraw/zinc/36/83/30/209368330.db2.gz WMLJOBDXWPFBFG-MSOLQXFVSA-N 2 2 352.523 0.723 10 0 FCAELP CC(C)N1CC[C@H]([NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)C1=O ZINC000245479482 209368331 /nfs/dbraw/zinc/36/83/31/209368331.db2.gz WMLJOBDXWPFBFG-MSOLQXFVSA-N 2 2 352.523 0.723 10 0 FCAELP O=C(Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)[C@@H]1COCC[NH2+]1 ZINC000238131338 209364387 /nfs/dbraw/zinc/36/43/87/209364387.db2.gz ASVJOZNRBXAYAN-KRWDZBQOSA-N 2 2 358.442 0.900 10 0 FCAELP CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cnc(N4CC[NH+](C)CC4)nc3)[C@@H]2C1 ZINC000245741625 209374125 /nfs/dbraw/zinc/37/41/25/209374125.db2.gz 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CBKXGZHATJKOLX-MSOLQXFVSA-N 2 2 351.539 0.251 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCc3cc[nH]c(=O)c3C2)C1 ZINC000276859615 212299538 /nfs/dbraw/zinc/29/95/38/212299538.db2.gz AZNMYMGNAHNAOY-INIZCTEOSA-N 2 2 362.474 0.618 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCc3cc[nH]c(=O)c3C2)C1 ZINC000276859615 212299541 /nfs/dbraw/zinc/29/95/41/212299541.db2.gz AZNMYMGNAHNAOY-INIZCTEOSA-N 2 2 362.474 0.618 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCc3cc[nH]c(=O)c3C2)C1 ZINC000276859615 212299543 /nfs/dbraw/zinc/29/95/43/212299543.db2.gz AZNMYMGNAHNAOY-INIZCTEOSA-N 2 2 362.474 0.618 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCc3cc[nH]c(=O)c3C2)C1 ZINC000276859615 212299547 /nfs/dbraw/zinc/29/95/47/212299547.db2.gz AZNMYMGNAHNAOY-INIZCTEOSA-N 2 2 362.474 0.618 10 0 FCAELP CC[C@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@]2(CCOC2)O1 ZINC000373395334 217014893 /nfs/dbraw/zinc/01/48/93/217014893.db2.gz QHYOJGRHUDEVKY-HKUYNNGSSA-N 2 2 368.522 0.992 10 0 FCAELP 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CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)C1 ZINC000373505389 217026194 /nfs/dbraw/zinc/02/61/94/217026194.db2.gz AAQCZJPDUFQSIL-JQHSSLGASA-N 2 2 353.507 0.959 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)C1 ZINC000373505389 217026198 /nfs/dbraw/zinc/02/61/98/217026198.db2.gz AAQCZJPDUFQSIL-JQHSSLGASA-N 2 2 353.507 0.959 10 0 FCAELP C[NH+]1CCC(CNC(=O)[C@]2(C)CCC(=O)NC2)([NH+]2CCCCC2)CC1 ZINC000373954551 217078090 /nfs/dbraw/zinc/07/80/90/217078090.db2.gz NCVQBRODLWWCHP-GOSISDBHSA-N 2 2 350.507 0.969 10 0 FCAELP C[C@@H]([NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@H]1CCCO1 ZINC000183130245 209142099 /nfs/dbraw/zinc/14/20/99/209142099.db2.gz QCDSHEPQGWUMJN-UKRRQHHQSA-N 2 2 373.461 0.169 10 0 FCAELP C[NH+]1CCO[C@@H](CNC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000181612710 209118420 /nfs/dbraw/zinc/11/84/20/209118420.db2.gz ZZTQKYZBGDVHMY-ROUUACIJSA-N 2 2 362.474 0.383 10 0 FCAELP C[NH+]1CCO[C@@H](CNC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000181612710 209118424 /nfs/dbraw/zinc/11/84/24/209118424.db2.gz ZZTQKYZBGDVHMY-ROUUACIJSA-N 2 2 362.474 0.383 10 0 FCAELP C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)C1 ZINC000181612710 209118412 /nfs/dbraw/zinc/11/84/12/209118412.db2.gz ZZTQKYZBGDVHMY-ROUUACIJSA-N 2 2 362.474 0.383 10 0 FCAELP C[N@H+]1CCO[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)C1 ZINC000181612710 209118416 /nfs/dbraw/zinc/11/84/16/209118416.db2.gz ZZTQKYZBGDVHMY-ROUUACIJSA-N 2 2 362.474 0.383 10 0 FCAELP C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000418809405 245835993 /nfs/dbraw/zinc/83/59/93/245835993.db2.gz SQBJBUJOUANTJG-STQMWFEESA-N 2 2 368.428 0.756 10 0 FCAELP C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000418809405 245835999 /nfs/dbraw/zinc/83/59/99/245835999.db2.gz SQBJBUJOUANTJG-STQMWFEESA-N 2 2 368.428 0.756 10 0 FCAELP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000418992624 245936828 /nfs/dbraw/zinc/93/68/28/245936828.db2.gz OCKNPGNUOSRXTO-INIZCTEOSA-N 2 2 371.441 0.261 10 0 FCAELP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000419329977 246101459 /nfs/dbraw/zinc/10/14/59/246101459.db2.gz FROGZUZPYNHGSG-IAGOWNOFSA-N 2 2 364.490 0.311 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000419329977 246101463 /nfs/dbraw/zinc/10/14/63/246101463.db2.gz FROGZUZPYNHGSG-IAGOWNOFSA-N 2 2 364.490 0.311 10 0 FCAELP C[C@H]1CCCN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)[C@H]1C[NH3+] ZINC000419656938 246233631 /nfs/dbraw/zinc/23/36/31/246233631.db2.gz USBXEFLPWJNRME-HOCLYGCPSA-N 2 2 359.474 0.752 10 0 FCAELP CCC[NH2+]CCNC(=O)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000419705301 246262411 /nfs/dbraw/zinc/26/24/11/246262411.db2.gz ALRUBWVJLFYUJH-UHFFFAOYSA-N 2 2 366.893 0.930 10 0 FCAELP CCC[NH2+]CCNC(=O)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000419705301 246262414 /nfs/dbraw/zinc/26/24/14/246262414.db2.gz ALRUBWVJLFYUJH-UHFFFAOYSA-N 2 2 366.893 0.930 10 0 FCAELP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)s1 ZINC000419890514 246355013 /nfs/dbraw/zinc/35/50/13/246355013.db2.gz SZEHNSXDMJRHTN-ZDUSSCGKSA-N 2 2 350.488 0.433 10 0 FCAELP C[NH2+]CCC1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC000423415267 247021341 /nfs/dbraw/zinc/02/13/41/247021341.db2.gz ALAHGUJJJDAKGY-UHFFFAOYSA-N 2 2 374.489 0.282 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC[NH2+]1 ZINC000423582400 247061559 /nfs/dbraw/zinc/06/15/59/247061559.db2.gz XGTORXIHKBETNF-CABCVRRESA-N 2 2 359.474 0.746 10 0 FCAELP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000423705114 247117628 /nfs/dbraw/zinc/11/76/28/247117628.db2.gz KLGRLLOVYPPZTM-MRXNPFEDSA-N 2 2 369.425 0.407 10 0 FCAELP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)c1 ZINC000424470107 247228788 /nfs/dbraw/zinc/22/87/88/247228788.db2.gz QSDJWQRAOALYFG-UHFFFAOYSA-N 2 2 368.441 0.839 10 0 FCAELP CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000931817423 674135977 /nfs/dbraw/zinc/13/59/77/674135977.db2.gz SYOPVVCHJRJSFC-JKSUJKDBSA-N 2 2 368.547 0.483 10 0 FCAELP CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000931817423 674135978 /nfs/dbraw/zinc/13/59/78/674135978.db2.gz SYOPVVCHJRJSFC-JKSUJKDBSA-N 2 2 368.547 0.483 10 0 FCAELP NC(=O)N[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000270628755 211237332 /nfs/dbraw/zinc/23/73/32/211237332.db2.gz LGCZIRHDSFTTIV-MRXNPFEDSA-N 2 2 361.446 0.200 10 0 FCAELP NC(=O)N[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000270628755 211237337 /nfs/dbraw/zinc/23/73/37/211237337.db2.gz LGCZIRHDSFTTIV-MRXNPFEDSA-N 2 2 361.446 0.200 10 0 FCAELP CC(C)OCC[NH+]1CCN(C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000470748589 250060182 /nfs/dbraw/zinc/06/01/82/250060182.db2.gz XISWACJKUIGBOX-UHFFFAOYSA-N 2 2 356.511 0.851 10 0 FCAELP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000471356380 250098244 /nfs/dbraw/zinc/09/82/44/250098244.db2.gz HALHQWWJDPZTTK-IBGZPJMESA-N 2 2 361.486 0.586 10 0 FCAELP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000471356380 250098250 /nfs/dbraw/zinc/09/82/50/250098250.db2.gz HALHQWWJDPZTTK-IBGZPJMESA-N 2 2 361.486 0.586 10 0 FCAELP O=C(NCCC[NH+]1CCOCC1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000073426258 208047164 /nfs/dbraw/zinc/04/71/64/208047164.db2.gz DFJLZRZZIUCBKK-QGZVFWFLSA-N 2 2 354.495 0.605 10 0 FCAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000081095773 208095289 /nfs/dbraw/zinc/09/52/89/208095289.db2.gz LEWOJTNIKQJWCR-CJNGLKHVSA-N 2 2 368.503 0.935 10 0 FCAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000081095773 208095293 /nfs/dbraw/zinc/09/52/93/208095293.db2.gz LEWOJTNIKQJWCR-CJNGLKHVSA-N 2 2 368.503 0.935 10 0 FCAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000081095773 208095300 /nfs/dbraw/zinc/09/53/00/208095300.db2.gz LEWOJTNIKQJWCR-CJNGLKHVSA-N 2 2 368.503 0.935 10 0 FCAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000081095773 208095306 /nfs/dbraw/zinc/09/53/06/208095306.db2.gz LEWOJTNIKQJWCR-CJNGLKHVSA-N 2 2 368.503 0.935 10 0 FCAELP O=C(C[N@@H+]1CCNC(=O)CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000101546964 208163125 /nfs/dbraw/zinc/16/31/25/208163125.db2.gz IJFSDIPTHIIWGU-UHFFFAOYSA-N 2 2 362.499 0.996 10 0 FCAELP O=C(C[N@H+]1CCNC(=O)CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000101546964 208163129 /nfs/dbraw/zinc/16/31/29/208163129.db2.gz IJFSDIPTHIIWGU-UHFFFAOYSA-N 2 2 362.499 0.996 10 0 FCAELP CCOCC[NH+]1CCN(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000106106155 208211528 /nfs/dbraw/zinc/21/15/28/208211528.db2.gz HVIGGUJXFGDCGN-GOSISDBHSA-N 2 2 370.538 0.114 10 0 FCAELP CCOCC[NH+]1CCN(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000106106155 208211533 /nfs/dbraw/zinc/21/15/33/208211533.db2.gz HVIGGUJXFGDCGN-GOSISDBHSA-N 2 2 370.538 0.114 10 0 FCAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)nc[nH+]1 ZINC000111227137 208277018 /nfs/dbraw/zinc/27/70/18/208277018.db2.gz WOFKNEWODJIELQ-DZGCQCFKSA-N 2 2 370.461 0.616 10 0 FCAELP CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109753622 208259052 /nfs/dbraw/zinc/25/90/52/208259052.db2.gz CGOQLUFHVZXKCG-JKSUJKDBSA-N 2 2 353.511 0.711 10 0 FCAELP CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000109753622 208259056 /nfs/dbraw/zinc/25/90/56/208259056.db2.gz CGOQLUFHVZXKCG-JKSUJKDBSA-N 2 2 353.511 0.711 10 0 FCAELP C[C@@H](C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)CS(C)(=O)=O ZINC000119081392 208354270 /nfs/dbraw/zinc/35/42/70/208354270.db2.gz GDUZOPFUPVQONF-HNNXBMFYSA-N 2 2 359.536 0.543 10 0 FCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000178754787 209059867 /nfs/dbraw/zinc/05/98/67/209059867.db2.gz UNOBVSSUDKTLKB-CYBMUJFWSA-N 2 2 372.429 0.306 10 0 FCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000178754787 209059871 /nfs/dbraw/zinc/05/98/71/209059871.db2.gz UNOBVSSUDKTLKB-CYBMUJFWSA-N 2 2 372.429 0.306 10 0 FCAELP COC1(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC[NH2+]CC1 ZINC000178891191 209064248 /nfs/dbraw/zinc/06/42/48/209064248.db2.gz GRYFUQWJKHLZAY-UHFFFAOYSA-N 3 2 352.523 0.822 10 0 FCAELP COc1ccc(C[NH+]2CCN(C(=O)C[NH2+]C3(C(=O)N(C)C)CC3)CC2)cc1 ZINC000411912254 533559743 /nfs/dbraw/zinc/55/97/43/533559743.db2.gz LRHIVWAYEBFCQO-UHFFFAOYSA-N 2 2 374.485 0.550 10 0 FCAELP C[NH+]1CCC(CNC(=O)NC[C@@]2(O)CCOC2)([NH+]2CCCCC2)CC1 ZINC000179607399 209084189 /nfs/dbraw/zinc/08/41/89/209084189.db2.gz IDOCMCSBNFSCKL-SFHVURJKSA-N 2 2 354.495 0.387 10 0 FCAELP C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000091767043 229157722 /nfs/dbraw/zinc/15/77/22/229157722.db2.gz SAHDQMMLIDAZMM-HOTGVXAUSA-N 2 2 351.495 0.419 10 0 FCAELP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)C[C@H](C)O1 ZINC000410499411 230106146 /nfs/dbraw/zinc/10/61/46/230106146.db2.gz SILAKJIOERMOMV-UXLLHSPISA-N 2 2 366.506 0.249 10 0 FCAELP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)C[C@H](C)O1 ZINC000410499411 230106149 /nfs/dbraw/zinc/10/61/49/230106149.db2.gz SILAKJIOERMOMV-UXLLHSPISA-N 2 2 366.506 0.249 10 0 FCAELP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)C[C@H](C)O1 ZINC000410499411 230106152 /nfs/dbraw/zinc/10/61/52/230106152.db2.gz SILAKJIOERMOMV-UXLLHSPISA-N 2 2 366.506 0.249 10 0 FCAELP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)C[C@H](C)O1 ZINC000410499411 230106155 /nfs/dbraw/zinc/10/61/55/230106155.db2.gz SILAKJIOERMOMV-UXLLHSPISA-N 2 2 366.506 0.249 10 0 FCAELP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000934953155 674302800 /nfs/dbraw/zinc/30/28/00/674302800.db2.gz XHGLPQOIVFMUCB-MHORFTMASA-N 2 2 351.491 0.809 10 0 FCAELP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000934953155 674302801 /nfs/dbraw/zinc/30/28/01/674302801.db2.gz XHGLPQOIVFMUCB-MHORFTMASA-N 2 2 351.491 0.809 10 0 FCAELP CS[C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@@H]1[NH+](C)C ZINC000935111477 674307384 /nfs/dbraw/zinc/30/73/84/674307384.db2.gz OSKOWCKIZPCUFU-UGUYLWEFSA-N 2 2 357.520 0.370 10 0 FCAELP C[C@H](O)CNc1cc(NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)nc[nH+]1 ZINC000528135391 484136712 /nfs/dbraw/zinc/13/67/12/484136712.db2.gz WQPWZAVMAMVAFM-SUMWQHHRSA-N 2 2 351.451 0.297 10 0 FCAELP C[C@H](O)CNc1cc(NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)nc[nH+]1 ZINC000528135391 484136718 /nfs/dbraw/zinc/13/67/18/484136718.db2.gz WQPWZAVMAMVAFM-SUMWQHHRSA-N 2 2 351.451 0.297 10 0 FCAELP C[C@H](O)CNc1cc(NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)nc[nH+]1 ZINC000528135390 484137245 /nfs/dbraw/zinc/13/72/45/484137245.db2.gz WQPWZAVMAMVAFM-GUYCJALGSA-N 2 2 351.451 0.297 10 0 FCAELP C[C@H](O)CNc1cc(NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)nc[nH+]1 ZINC000528135390 484137254 /nfs/dbraw/zinc/13/72/54/484137254.db2.gz WQPWZAVMAMVAFM-GUYCJALGSA-N 2 2 351.451 0.297 10 0 FCAELP Cc1cc(NCCNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)nc(C(C)C)[nH+]1 ZINC000627418679 484359150 /nfs/dbraw/zinc/35/91/50/484359150.db2.gz YPIZOZPTLURXPR-TZMCWYRMSA-N 2 2 362.478 0.551 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSc2nc(N)cc(N)[nH+]2)C1 ZINC000031355184 487758582 /nfs/dbraw/zinc/75/85/82/487758582.db2.gz INKRJQHGEFFYEP-NSHDSACASA-N 2 2 354.480 0.206 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CSc2nc(N)cc(N)[nH+]2)C1 ZINC000031355184 487758589 /nfs/dbraw/zinc/75/85/89/487758589.db2.gz INKRJQHGEFFYEP-NSHDSACASA-N 2 2 354.480 0.206 10 0 FCAELP C[NH+]1CCC(n2ccc(NC(=O)N3CC[C@H]4OCC[N@H+](C)[C@@H]4C3)n2)CC1 ZINC000329106072 488969914 /nfs/dbraw/zinc/96/99/14/488969914.db2.gz FADVVTHEMUFDJX-HZPDHXFCSA-N 2 2 362.478 1.087 10 0 FCAELP C[NH+]1CCC(n2ccc(NC(=O)N3CC[C@H]4OCC[N@@H+](C)[C@@H]4C3)n2)CC1 ZINC000329106072 488969916 /nfs/dbraw/zinc/96/99/16/488969916.db2.gz FADVVTHEMUFDJX-HZPDHXFCSA-N 2 2 362.478 1.087 10 0 FCAELP COC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000066834411 488338035 /nfs/dbraw/zinc/33/80/35/488338035.db2.gz CNQLBCQNGCIVBM-JKSUJKDBSA-N 2 2 355.479 0.344 10 0 FCAELP COC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000066834411 488338037 /nfs/dbraw/zinc/33/80/37/488338037.db2.gz CNQLBCQNGCIVBM-JKSUJKDBSA-N 2 2 355.479 0.344 10 0 FCAELP COC(=O)[C@H]1CCC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000066834411 488338040 /nfs/dbraw/zinc/33/80/40/488338040.db2.gz CNQLBCQNGCIVBM-JKSUJKDBSA-N 2 2 355.479 0.344 10 0 FCAELP COC(=O)[C@H]1CCC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000066834411 488338045 /nfs/dbraw/zinc/33/80/45/488338045.db2.gz CNQLBCQNGCIVBM-JKSUJKDBSA-N 2 2 355.479 0.344 10 0 FCAELP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000073722478 488386034 /nfs/dbraw/zinc/38/60/34/488386034.db2.gz JQKBMNAVJKGARC-RDJZCZTQSA-N 2 2 367.538 0.957 10 0 FCAELP C[NH+](C)CCN1C[C@H](C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1=O ZINC000074222108 488389278 /nfs/dbraw/zinc/38/92/78/488389278.db2.gz CCIZJDCENFZBOR-GOSISDBHSA-N 2 2 369.469 0.958 10 0 FCAELP C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000075715177 488398533 /nfs/dbraw/zinc/39/85/33/488398533.db2.gz DTCCXLDPKFWODR-QGZVFWFLSA-N 2 2 352.523 0.774 10 0 FCAELP CC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000077170032 488408828 /nfs/dbraw/zinc/40/88/28/488408828.db2.gz CEUIFZJMFNIUFG-WBVHZDCISA-N 2 2 359.474 0.719 10 0 FCAELP CC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000077170032 488408831 /nfs/dbraw/zinc/40/88/31/488408831.db2.gz CEUIFZJMFNIUFG-WBVHZDCISA-N 2 2 359.474 0.719 10 0 FCAELP CC(C)[C@H](CNC(=O)NCCCC[NH+]1CCOCC1)[NH+]1CCN(C)CC1 ZINC000079126585 488428197 /nfs/dbraw/zinc/42/81/97/488428197.db2.gz RNYDNHXUOKMMGM-SFHVURJKSA-N 2 2 369.554 0.670 10 0 FCAELP CC(C)[C@H](CNC(=O)NCCCC[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000079126585 488428198 /nfs/dbraw/zinc/42/81/98/488428198.db2.gz RNYDNHXUOKMMGM-SFHVURJKSA-N 2 2 369.554 0.670 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000268594200 488434438 /nfs/dbraw/zinc/43/44/38/488434438.db2.gz PDKJKEQVJFNKBO-UHFFFAOYSA-N 2 2 362.478 0.689 10 0 FCAELP O=C(Cn1cc[nH+]c1)NCC1CCC(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC000569870333 491200029 /nfs/dbraw/zinc/20/00/29/491200029.db2.gz VDBRKEKLJFNROA-UHFFFAOYSA-N 2 2 358.446 0.819 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C[C@@H](O)C(F)(F)F)C1 ZINC000245975166 488468353 /nfs/dbraw/zinc/46/83/53/488468353.db2.gz GDFWQCSIUDPDIK-QWHCGFSZSA-N 2 2 355.401 0.314 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C[C@@H](O)C(F)(F)F)C1 ZINC000245975166 488468355 /nfs/dbraw/zinc/46/83/55/488468355.db2.gz GDFWQCSIUDPDIK-QWHCGFSZSA-N 2 2 355.401 0.314 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)C[C@@H](O)C(F)(F)F)C1 ZINC000245975166 488468358 /nfs/dbraw/zinc/46/83/58/488468358.db2.gz GDFWQCSIUDPDIK-QWHCGFSZSA-N 2 2 355.401 0.314 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)C[C@@H](O)C(F)(F)F)C1 ZINC000245975166 488468359 /nfs/dbraw/zinc/46/83/59/488468359.db2.gz GDFWQCSIUDPDIK-QWHCGFSZSA-N 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488482398 /nfs/dbraw/zinc/48/23/98/488482398.db2.gz PALHRVIKDYQWKV-IAGOWNOFSA-N 2 2 356.511 0.705 10 0 FCAELP CCOCC[N@@H+]1CCN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)C[C@@H]1CC ZINC000247214867 488482563 /nfs/dbraw/zinc/48/25/63/488482563.db2.gz UWQJJPCBPILGJJ-MSOLQXFVSA-N 2 2 369.554 0.765 10 0 FCAELP CCOCC[N@H+]1CCN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)C[C@@H]1CC ZINC000247214867 488482566 /nfs/dbraw/zinc/48/25/66/488482566.db2.gz UWQJJPCBPILGJJ-MSOLQXFVSA-N 2 2 369.554 0.765 10 0 FCAELP CCOCC[N@H+]1CCN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)C[C@@H]1CC ZINC000247214867 488482568 /nfs/dbraw/zinc/48/25/68/488482568.db2.gz UWQJJPCBPILGJJ-MSOLQXFVSA-N 2 2 369.554 0.765 10 0 FCAELP CC[C@@H]1CN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC000247197854 488482865 /nfs/dbraw/zinc/48/28/65/488482865.db2.gz SVLKQWBUMWMKOF-BRWVUGGUSA-N 2 2 356.511 0.848 10 0 FCAELP CC[C@@H]1CN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC000247197854 488482868 /nfs/dbraw/zinc/48/28/68/488482868.db2.gz SVLKQWBUMWMKOF-BRWVUGGUSA-N 2 2 356.511 0.848 10 0 FCAELP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C[C@H](C)O1 ZINC000247260676 488483720 /nfs/dbraw/zinc/48/37/20/488483720.db2.gz ZXNZDIMXGNQEFS-IXDOHACOSA-N 2 2 368.522 0.990 10 0 FCAELP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C[C@H](C)O1 ZINC000247260676 488483722 /nfs/dbraw/zinc/48/37/22/488483722.db2.gz ZXNZDIMXGNQEFS-IXDOHACOSA-N 2 2 368.522 0.990 10 0 FCAELP CC[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@@H+]1C[C@H](C)O ZINC000248455427 488496864 /nfs/dbraw/zinc/49/68/64/488496864.db2.gz MLFWVXDKOQEGMY-JKSUJKDBSA-N 2 2 356.511 0.584 10 0 FCAELP CC[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@H+]1C[C@H](C)O ZINC000248455427 488496868 /nfs/dbraw/zinc/49/68/68/488496868.db2.gz MLFWVXDKOQEGMY-JKSUJKDBSA-N 2 2 356.511 0.584 10 0 FCAELP C[N@@H+]1CCO[C@H](CNC(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)C1 ZINC000248465272 488497515 /nfs/dbraw/zinc/49/75/15/488497515.db2.gz ZZTQKYZBGDVHMY-QZTJIDSGSA-N 2 2 362.474 0.383 10 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HENOAFQWVCLSIS-HOCLYGCPSA-N 2 2 359.474 0.778 10 0 FCAELP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000285933184 489335313 /nfs/dbraw/zinc/33/53/13/489335313.db2.gz HENOAFQWVCLSIS-HOCLYGCPSA-N 2 2 359.474 0.778 10 0 FCAELP COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000298721310 489356879 /nfs/dbraw/zinc/35/68/79/489356879.db2.gz KTDHFZFDAWPWHI-MRXNPFEDSA-N 2 2 361.442 0.952 10 0 FCAELP COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000298721310 489356881 /nfs/dbraw/zinc/35/68/81/489356881.db2.gz KTDHFZFDAWPWHI-MRXNPFEDSA-N 2 2 361.442 0.952 10 0 FCAELP COC(=O)C[N@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C1CCCC1 ZINC000370540637 489372127 /nfs/dbraw/zinc/37/21/27/489372127.db2.gz VLOWLSQYPVEZNK-KRWDZBQOSA-N 2 2 369.506 0.877 10 0 FCAELP COC(=O)C[N@@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C1CCCC1 ZINC000370540637 489372131 /nfs/dbraw/zinc/37/21/31/489372131.db2.gz VLOWLSQYPVEZNK-KRWDZBQOSA-N 2 2 369.506 0.877 10 0 FCAELP COC(=O)C[NH+](CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C1CCCC1 ZINC000370540637 489372133 /nfs/dbraw/zinc/37/21/33/489372133.db2.gz VLOWLSQYPVEZNK-KRWDZBQOSA-N 2 2 369.506 0.877 10 0 FCAELP COC(=O)C[NH+](CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C1CCCC1 ZINC000370540637 489372135 /nfs/dbraw/zinc/37/21/35/489372135.db2.gz VLOWLSQYPVEZNK-KRWDZBQOSA-N 2 2 369.506 0.877 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@@]2(C(N)=O)CCOC2)CC1 ZINC000570579948 491251147 /nfs/dbraw/zinc/25/11/47/491251147.db2.gz GWWPFWQEXUFECH-BEFAXECRSA-N 2 2 360.458 0.126 10 0 FCAELP COCC[NH+](CCOC)C1CCN(c2nc3c(cnn3C)c(N)[nH+]2)CC1 ZINC000286396386 489387017 /nfs/dbraw/zinc/38/70/17/489387017.db2.gz OAGGVEJZHAXQEH-UHFFFAOYSA-N 2 2 363.466 0.509 10 0 FCAELP CN(Cc1[nH+]ccn1C)C(=O)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000286806081 489431157 /nfs/dbraw/zinc/43/11/57/489431157.db2.gz BAUFBFZSPVJCSP-UHFFFAOYSA-N 2 2 361.421 0.896 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC(=O)NC3CCCCC3)C2)CC1 ZINC000363541678 489477470 /nfs/dbraw/zinc/47/74/70/489477470.db2.gz MEHDXFCGPNFQTF-INIZCTEOSA-N 2 2 365.522 0.903 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC(=O)NC3CCCCC3)C2)CC1 ZINC000363541678 489477471 /nfs/dbraw/zinc/47/74/71/489477471.db2.gz MEHDXFCGPNFQTF-INIZCTEOSA-N 2 2 365.522 0.903 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC(=O)NC3CCCCC3)C2)CC1 ZINC000363541679 489477525 /nfs/dbraw/zinc/47/75/25/489477525.db2.gz MEHDXFCGPNFQTF-MRXNPFEDSA-N 2 2 365.522 0.903 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC(=O)NC3CCCCC3)C2)CC1 ZINC000363541679 489477526 /nfs/dbraw/zinc/47/75/26/489477526.db2.gz MEHDXFCGPNFQTF-MRXNPFEDSA-N 2 2 365.522 0.903 10 0 FCAELP COc1cc[nH+]c(N2CC[NH+](CC(=O)N3CCOC[C@@H]3C3CC3)CC2)c1 ZINC000371383374 489482239 /nfs/dbraw/zinc/48/22/39/489482239.db2.gz DXNNPDYLDZKUGB-QGZVFWFLSA-N 2 2 360.458 0.850 10 0 FCAELP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371450001 489484714 /nfs/dbraw/zinc/48/47/14/489484714.db2.gz YAQHAETXPCMWDE-HNNXBMFYSA-N 2 2 354.458 0.991 10 0 FCAELP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000423252051 489507321 /nfs/dbraw/zinc/50/73/21/489507321.db2.gz SZDCFAYJDSIIHN-DLBZAZTESA-N 2 2 366.506 0.158 10 0 FCAELP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000423249726 489507336 /nfs/dbraw/zinc/50/73/36/489507336.db2.gz PNNIYBNSJIAWQT-DLBZAZTESA-N 2 2 366.506 0.287 10 0 FCAELP COC(=O)[C@H]1C[N@H+](CCn2cc[nH+]c2C)[C@@H](C)CN1CCn1cc[nH+]c1C ZINC000451729389 489520260 /nfs/dbraw/zinc/52/02/60/489520260.db2.gz VGFGYLKUXJJDAK-MAUKXSAKSA-N 3 2 374.489 0.944 10 0 FCAELP COC(=O)[C@H]1C[N@@H+](CCn2cc[nH+]c2C)[C@@H](C)CN1CCn1cc[nH+]c1C ZINC000451729389 489520264 /nfs/dbraw/zinc/52/02/64/489520264.db2.gz VGFGYLKUXJJDAK-MAUKXSAKSA-N 3 2 374.489 0.944 10 0 FCAELP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000415624394 489538138 /nfs/dbraw/zinc/53/81/38/489538138.db2.gz NSNTYYNFEMILCA-PBHICJAKSA-N 2 2 360.458 0.572 10 0 FCAELP C[C@H]1C[N@H+](CCO)CCN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000452112009 489547964 /nfs/dbraw/zinc/54/79/64/489547964.db2.gz DQVILBHWHNFVHL-SFHVURJKSA-N 2 2 360.502 0.329 10 0 FCAELP C[C@H]1C[N@@H+](CCO)CCN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000452112009 489547965 /nfs/dbraw/zinc/54/79/65/489547965.db2.gz DQVILBHWHNFVHL-SFHVURJKSA-N 2 2 360.502 0.329 10 0 FCAELP Cc1cccc(C[NH+]2CCN(C(=O)CN3CC[N@@H+](CCO)C[C@H]3C)CC2)c1 ZINC000452123654 489549385 /nfs/dbraw/zinc/54/93/85/489549385.db2.gz VNFBWYDYVMYQNF-LJQANCHMSA-N 2 2 374.529 0.638 10 0 FCAELP Cc1cccc(C[NH+]2CCN(C(=O)CN3CC[N@H+](CCO)C[C@H]3C)CC2)c1 ZINC000452123654 489549387 /nfs/dbraw/zinc/54/93/87/489549387.db2.gz VNFBWYDYVMYQNF-LJQANCHMSA-N 2 2 374.529 0.638 10 0 FCAELP O=C(Nc1ccccc1C[NH+]1CCOCC1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415874784 489563046 /nfs/dbraw/zinc/56/30/46/489563046.db2.gz XODSBFVNRBLCDY-INIZCTEOSA-N 2 2 360.458 0.716 10 0 FCAELP COCC[C@H](C)[NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000372818450 489639639 /nfs/dbraw/zinc/63/96/39/489639639.db2.gz LZZYDFUEHQUZSI-HOTGVXAUSA-N 2 2 363.506 0.848 10 0 FCAELP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cn1 ZINC000372927223 489652553 /nfs/dbraw/zinc/65/25/53/489652553.db2.gz USMFECCPIYRWAN-CYBMUJFWSA-N 2 2 372.429 0.039 10 0 FCAELP [NH3+]C[C@H](NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)C1CCCC1 ZINC000417712647 489662376 /nfs/dbraw/zinc/66/23/76/489662376.db2.gz QTCDGNUNPUVQQC-KRWDZBQOSA-N 2 2 365.522 0.747 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000459159195 489720594 /nfs/dbraw/zinc/72/05/94/489720594.db2.gz ZZUJXONJDNCUJE-GOSISDBHSA-N 2 2 357.458 0.681 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000459159195 489720596 /nfs/dbraw/zinc/72/05/96/489720596.db2.gz ZZUJXONJDNCUJE-GOSISDBHSA-N 2 2 357.458 0.681 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)N[C@@H](C[NH3+])C2CCCC2)C1=O ZINC000563875054 491274217 /nfs/dbraw/zinc/27/42/17/491274217.db2.gz IKSAETMRHSEHME-CABCVRRESA-N 2 2 362.478 0.728 10 0 FCAELP C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000418795254 489728324 /nfs/dbraw/zinc/72/83/24/489728324.db2.gz CFPCTLJMQWDODP-NEPJUHHUSA-N 2 2 354.401 0.509 10 0 FCAELP C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000418795254 489728328 /nfs/dbraw/zinc/72/83/28/489728328.db2.gz CFPCTLJMQWDODP-NEPJUHHUSA-N 2 2 354.401 0.509 10 0 FCAELP [NH3+]CCCNC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000418793961 489728514 /nfs/dbraw/zinc/72/85/14/489728514.db2.gz AYORNPULTBLSHG-LBPRGKRZSA-N 2 2 354.401 0.510 10 0 FCAELP [NH3+]CCCNC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000418793961 489728516 /nfs/dbraw/zinc/72/85/16/489728516.db2.gz AYORNPULTBLSHG-LBPRGKRZSA-N 2 2 354.401 0.510 10 0 FCAELP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000418807160 489731697 /nfs/dbraw/zinc/73/16/97/489731697.db2.gz PMYQUURLENMMGF-OLZOCXBDSA-N 2 2 368.428 0.899 10 0 FCAELP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000418807160 489731700 /nfs/dbraw/zinc/73/17/00/489731700.db2.gz PMYQUURLENMMGF-OLZOCXBDSA-N 2 2 368.428 0.899 10 0 FCAELP CC(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000418869395 489767095 /nfs/dbraw/zinc/76/70/95/489767095.db2.gz QXWRFBUQSOOLQV-CABCVRRESA-N 2 2 354.401 0.680 10 0 FCAELP CC(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000418869395 489767099 /nfs/dbraw/zinc/76/70/99/489767099.db2.gz QXWRFBUQSOOLQV-CABCVRRESA-N 2 2 354.401 0.680 10 0 FCAELP COc1cccc([C@@H]2[C@@H](NC(=O)C(=O)N3CC[NH2+]CC3)CC[N@@H+]2C2CC2)c1 ZINC000418879646 489772339 /nfs/dbraw/zinc/77/23/39/489772339.db2.gz NLVLFJCBUIYNBM-ZWKOTPCHSA-N 2 2 372.469 0.521 10 0 FCAELP COc1cccc([C@@H]2[C@@H](NC(=O)C(=O)N3CC[NH2+]CC3)CC[N@H+]2C2CC2)c1 ZINC000418879646 489772343 /nfs/dbraw/zinc/77/23/43/489772343.db2.gz NLVLFJCBUIYNBM-ZWKOTPCHSA-N 2 2 372.469 0.521 10 0 FCAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418884691 489774665 /nfs/dbraw/zinc/77/46/65/489774665.db2.gz GDGPZFSMALZGSO-XJKSGUPXSA-N 2 2 357.458 0.965 10 0 FCAELP C[C@@H]1C[N@H+](CCn2nc3ccccn3c2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490648433 489778488 /nfs/dbraw/zinc/77/84/88/489778488.db2.gz LKNCWOHPSLKSTC-SJORKVTESA-N 2 2 358.490 0.454 10 0 FCAELP C[C@@H]1C[N@@H+](CCn2nc3ccccn3c2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490648433 489778491 /nfs/dbraw/zinc/77/84/91/489778491.db2.gz LKNCWOHPSLKSTC-SJORKVTESA-N 2 2 358.490 0.454 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H](CO)c3cccnc3)C2)CC1 ZINC000376704648 489779971 /nfs/dbraw/zinc/77/99/71/489779971.db2.gz BKWDVUWSZOYKKL-SJORKVTESA-N 2 2 361.490 0.625 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H](CO)c3cccnc3)C2)CC1 ZINC000376704648 489779975 /nfs/dbraw/zinc/77/99/75/489779975.db2.gz BKWDVUWSZOYKKL-SJORKVTESA-N 2 2 361.490 0.625 10 0 FCAELP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418900106 489781723 /nfs/dbraw/zinc/78/17/23/489781723.db2.gz CPVSGHJQRAEBNM-RLCCDNCMSA-N 2 2 366.412 0.647 10 0 FCAELP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418900106 489781725 /nfs/dbraw/zinc/78/17/25/489781725.db2.gz CPVSGHJQRAEBNM-RLCCDNCMSA-N 2 2 366.412 0.647 10 0 FCAELP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000418901031 489781949 /nfs/dbraw/zinc/78/19/49/489781949.db2.gz DTHFLJANXQXJBN-CABCVRRESA-N 2 2 352.866 0.879 10 0 FCAELP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000418901031 489781952 /nfs/dbraw/zinc/78/19/52/489781952.db2.gz DTHFLJANXQXJBN-CABCVRRESA-N 2 2 352.866 0.879 10 0 FCAELP C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC000376717958 489783394 /nfs/dbraw/zinc/78/33/94/489783394.db2.gz MUXGQFXNJFGFKT-CABCVRRESA-N 2 2 358.446 0.864 10 0 FCAELP C[C@H](O)C[N@H+]1CCN(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC000376717958 489783399 /nfs/dbraw/zinc/78/33/99/489783399.db2.gz MUXGQFXNJFGFKT-CABCVRRESA-N 2 2 358.446 0.864 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)[C@H]1c1ccc(F)c(F)c1 ZINC000418903637 489783360 /nfs/dbraw/zinc/78/33/60/489783360.db2.gz IHQFFRZMPFQHAK-APHBMKBZSA-N 2 2 366.412 0.694 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)[C@H]1c1ccc(F)c(F)c1 ZINC000418903637 489783365 /nfs/dbraw/zinc/78/33/65/489783365.db2.gz IHQFFRZMPFQHAK-APHBMKBZSA-N 2 2 366.412 0.694 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@H]1c1ccc(Cl)cc1 ZINC000418906112 489784007 /nfs/dbraw/zinc/78/40/07/489784007.db2.gz KOBZIUYNXRMWNM-RRFJBIMHSA-N 2 2 350.850 0.761 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@H]1c1ccc(Cl)cc1 ZINC000418906112 489784011 /nfs/dbraw/zinc/78/40/11/489784011.db2.gz KOBZIUYNXRMWNM-RRFJBIMHSA-N 2 2 350.850 0.761 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000418905228 489784757 /nfs/dbraw/zinc/78/47/57/489784757.db2.gz JTVNBUFEKPGTNC-KGLIPLIRSA-N 2 2 354.401 0.680 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000418905228 489784762 /nfs/dbraw/zinc/78/47/62/489784762.db2.gz JTVNBUFEKPGTNC-KGLIPLIRSA-N 2 2 354.401 0.680 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C[C@H](C)[NH2+]1 ZINC000418909457 489787058 /nfs/dbraw/zinc/78/70/58/489787058.db2.gz JAFGYGJSZBWFTG-IYBDPMFKSA-N 2 2 374.485 0.344 10 0 FCAELP C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418914077 489789015 /nfs/dbraw/zinc/78/90/15/489789015.db2.gz SWCRJVLDMIEMKO-JKSUJKDBSA-N 2 2 368.428 0.894 10 0 FCAELP C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418914077 489789017 /nfs/dbraw/zinc/78/90/17/489789017.db2.gz SWCRJVLDMIEMKO-JKSUJKDBSA-N 2 2 368.428 0.894 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000418917913 489791100 /nfs/dbraw/zinc/79/11/00/489791100.db2.gz YZVHUXVIWMEPOQ-HUUCEWRRSA-N 2 2 368.840 0.772 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000418917913 489791103 /nfs/dbraw/zinc/79/11/03/489791103.db2.gz YZVHUXVIWMEPOQ-HUUCEWRRSA-N 2 2 368.840 0.772 10 0 FCAELP CCNc1nc(N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)nc(NC(C)(C)C)[nH+]1 ZINC000419008637 489815884 /nfs/dbraw/zinc/81/58/84/489815884.db2.gz VZURQXLTDQPLKU-CHWSQXEVSA-N 2 2 351.499 0.827 10 0 FCAELP CCNc1nc(N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)nc(NC(C)(C)C)[nH+]1 ZINC000419008637 489815888 /nfs/dbraw/zinc/81/58/88/489815888.db2.gz VZURQXLTDQPLKU-CHWSQXEVSA-N 2 2 351.499 0.827 10 0 FCAELP COc1ccc([C@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)c2[nH+]ccn2C)cc1 ZINC000419065364 489841768 /nfs/dbraw/zinc/84/17/68/489841768.db2.gz JMUHTNISRUXMHI-CJNGLKHVSA-N 2 2 371.441 0.455 10 0 FCAELP COc1ccc([C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)c2[nH+]ccn2C)cc1 ZINC000419065366 489841810 /nfs/dbraw/zinc/84/18/10/489841810.db2.gz JMUHTNISRUXMHI-CZUORRHYSA-N 2 2 371.441 0.455 10 0 FCAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419110174 489859139 /nfs/dbraw/zinc/85/91/39/489859139.db2.gz BPSHWNDOFSVXSN-KRWDZBQOSA-N 2 2 361.833 0.816 10 0 FCAELP CCOC(=O)C1(O)CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000494583354 489898294 /nfs/dbraw/zinc/89/82/94/489898294.db2.gz RRVBPCBTSSVREK-UHFFFAOYSA-N 2 2 353.463 0.119 10 0 FCAELP CC[NH+]1CCC(NC(=O)C[NH+]2CCN(c3cc(OC)ncn3)CC2)CC1 ZINC000461348726 489904544 /nfs/dbraw/zinc/90/45/44/489904544.db2.gz IPSPLADDIAZUTI-UHFFFAOYSA-N 2 2 362.478 0.208 10 0 FCAELP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000420123342 489919892 /nfs/dbraw/zinc/91/98/92/489919892.db2.gz NJBLPJLXURBFFZ-HOTGVXAUSA-N 2 2 354.495 0.333 10 0 FCAELP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000477071677 489939104 /nfs/dbraw/zinc/93/91/04/489939104.db2.gz UMEVQLXCJZVSDO-CQSZACIVSA-N 2 2 362.478 0.280 10 0 FCAELP CC[NH+]1CCN(CC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000462063164 489954545 /nfs/dbraw/zinc/95/45/45/489954545.db2.gz ZRAILVGOXMRMRY-IBGZPJMESA-N 2 2 360.502 0.814 10 0 FCAELP O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000420217137 489955366 /nfs/dbraw/zinc/95/53/66/489955366.db2.gz MOWQDMQJPSJREW-QGZVFWFLSA-N 2 2 364.490 0.126 10 0 FCAELP O=C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NCCCN1CCCCCC1=O ZINC000420388909 489970619 /nfs/dbraw/zinc/97/06/19/489970619.db2.gz XIVSGYCYFQTDMS-IBGZPJMESA-N 2 2 350.507 0.971 10 0 FCAELP O=C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NCCCN1CCCCCC1=O ZINC000420388909 489970620 /nfs/dbraw/zinc/97/06/20/489970620.db2.gz XIVSGYCYFQTDMS-IBGZPJMESA-N 2 2 350.507 0.971 10 0 FCAELP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000435507202 490004363 /nfs/dbraw/zinc/00/43/63/490004363.db2.gz KKQUAKBDCVXSSU-ZACQAIPSSA-N 2 2 356.511 0.584 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(F)(F)[C@H](CO)C2)C1 ZINC000463224676 490005192 /nfs/dbraw/zinc/00/51/92/490005192.db2.gz FSYJXRRRKXTJKK-LSDHHAIUSA-N 2 2 363.449 0.409 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(F)(F)[C@H](CO)C2)C1 ZINC000463224676 490005196 /nfs/dbraw/zinc/00/51/96/490005196.db2.gz FSYJXRRRKXTJKK-LSDHHAIUSA-N 2 2 363.449 0.409 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC(F)(F)[C@H](CO)C2)C1 ZINC000463224676 490005199 /nfs/dbraw/zinc/00/51/99/490005199.db2.gz FSYJXRRRKXTJKK-LSDHHAIUSA-N 2 2 363.449 0.409 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC(F)(F)[C@H](CO)C2)C1 ZINC000463224676 490005202 /nfs/dbraw/zinc/00/52/02/490005202.db2.gz FSYJXRRRKXTJKK-LSDHHAIUSA-N 2 2 363.449 0.409 10 0 FCAELP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000378154988 490019381 /nfs/dbraw/zinc/01/93/81/490019381.db2.gz WZXOWMPVFHUXFR-KSZLIROESA-N 2 2 366.506 0.746 10 0 FCAELP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000571246518 491295274 /nfs/dbraw/zinc/29/52/74/491295274.db2.gz DRFVGDVCZIOEOI-YJBOKZPZSA-N 2 2 352.523 0.506 10 0 FCAELP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000571246518 491295277 /nfs/dbraw/zinc/29/52/77/491295277.db2.gz DRFVGDVCZIOEOI-YJBOKZPZSA-N 2 2 352.523 0.506 10 0 FCAELP CC[NH+](CC)CC1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000556111606 491295371 /nfs/dbraw/zinc/29/53/71/491295371.db2.gz KZWJEKVUKZEQAF-MRXNPFEDSA-N 2 2 368.522 0.404 10 0 FCAELP CNC(=O)[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000420978554 490038980 /nfs/dbraw/zinc/03/89/80/490038980.db2.gz RWXJSCZBPPDTNM-CQSZACIVSA-N 2 2 350.488 0.460 10 0 FCAELP CNC(=O)[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000420978554 490038984 /nfs/dbraw/zinc/03/89/84/490038984.db2.gz RWXJSCZBPPDTNM-CQSZACIVSA-N 2 2 350.488 0.460 10 0 FCAELP C[C@@H]1CC[C@@H](O)C[N@@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000421030827 490044240 /nfs/dbraw/zinc/04/42/40/490044240.db2.gz YDCMOXPKVROVHQ-IAGOWNOFSA-N 2 2 353.507 0.983 10 0 FCAELP C[C@@H]1CC[C@@H](O)C[N@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000421030827 490044243 /nfs/dbraw/zinc/04/42/43/490044243.db2.gz YDCMOXPKVROVHQ-IAGOWNOFSA-N 2 2 353.507 0.983 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000556083522 491293549 /nfs/dbraw/zinc/29/35/49/491293549.db2.gz OFTURSMNVVEIRK-AWEZNQCLSA-N 2 2 360.458 0.437 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000556083522 491293551 /nfs/dbraw/zinc/29/35/51/491293551.db2.gz OFTURSMNVVEIRK-AWEZNQCLSA-N 2 2 360.458 0.437 10 0 FCAELP Cc1cc(NC(=O)CC[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)no1 ZINC000532731307 490101405 /nfs/dbraw/zinc/10/14/05/490101405.db2.gz DTBCNWUBMPFDIF-UHFFFAOYSA-N 2 2 359.434 0.990 10 0 FCAELP CCOCCCNC(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000532731141 490101933 /nfs/dbraw/zinc/10/19/33/490101933.db2.gz JLHUHDKDMKPITC-OAHLLOKOSA-N 2 2 364.494 0.596 10 0 FCAELP C[NH+](C)[C@H](CNC(=O)C(=O)NCCCC[NH+]1CCOCC1)c1ccco1 ZINC000556168566 491299962 /nfs/dbraw/zinc/29/99/62/491299962.db2.gz SJKZWARRBHDPIL-OAHLLOKOSA-N 2 2 366.462 0.227 10 0 FCAELP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000422093752 490145440 /nfs/dbraw/zinc/14/54/40/490145440.db2.gz ASHRZYKUPPSFMB-IRXDYDNUSA-N 2 2 366.506 0.252 10 0 FCAELP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000422093752 490145446 /nfs/dbraw/zinc/14/54/46/490145446.db2.gz ASHRZYKUPPSFMB-IRXDYDNUSA-N 2 2 366.506 0.252 10 0 FCAELP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000422093751 490145738 /nfs/dbraw/zinc/14/57/38/490145738.db2.gz ASHRZYKUPPSFMB-IAGOWNOFSA-N 2 2 366.506 0.252 10 0 FCAELP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000422093751 490145747 /nfs/dbraw/zinc/14/57/47/490145747.db2.gz ASHRZYKUPPSFMB-IAGOWNOFSA-N 2 2 366.506 0.252 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c1 ZINC000422126392 490178463 /nfs/dbraw/zinc/17/84/63/490178463.db2.gz BJRUMWADTWUAHO-QGZVFWFLSA-N 2 2 357.458 0.368 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCCc1cn(C)c[nH+]1)[N@@H+]1CCc2ccccc2C1 ZINC000422275035 490219910 /nfs/dbraw/zinc/21/99/10/490219910.db2.gz AJZCGCMDKJYABI-HNNXBMFYSA-N 2 2 369.469 0.642 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCCc1cn(C)c[nH+]1)[N@H+]1CCc2ccccc2C1 ZINC000422275035 490219916 /nfs/dbraw/zinc/21/99/16/490219916.db2.gz AJZCGCMDKJYABI-HNNXBMFYSA-N 2 2 369.469 0.642 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000507930105 490279904 /nfs/dbraw/zinc/27/99/04/490279904.db2.gz WFAFWJFHLGMMBJ-MGNMYUMUSA-N 2 2 366.506 0.297 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000507930105 490279909 /nfs/dbraw/zinc/27/99/09/490279909.db2.gz WFAFWJFHLGMMBJ-MGNMYUMUSA-N 2 2 366.506 0.297 10 0 FCAELP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NCCc2cn(C)c[nH+]2)CC1 ZINC000422395965 490297084 /nfs/dbraw/zinc/29/70/84/490297084.db2.gz HPEJNPMAWWZURX-UHFFFAOYSA-N 2 2 363.506 0.953 10 0 FCAELP C[C@@H]1OCC[C@@]1(O)C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000447925942 490298649 /nfs/dbraw/zinc/29/86/49/490298649.db2.gz KQEGYIZGCLBTMD-FXAWDEMLSA-N 2 2 361.486 0.803 10 0 FCAELP C[C@@H]1OCC[C@@]1(O)C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000447925942 490298656 /nfs/dbraw/zinc/29/86/56/490298656.db2.gz KQEGYIZGCLBTMD-FXAWDEMLSA-N 2 2 361.486 0.803 10 0 FCAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCCC[C@H]2[C@@H]2CNC(=O)C2)CC1 ZINC000534277607 490340098 /nfs/dbraw/zinc/34/00/98/490340098.db2.gz KPHXMSJNNGVLJC-RDJZCZTQSA-N 2 2 365.522 0.713 10 0 FCAELP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NCc2ccc3c[nH+]cn3c2)C[C@H](C)O1 ZINC000422471946 490340748 /nfs/dbraw/zinc/34/07/48/490340748.db2.gz KILWDHCAYPOYFJ-GASCZTMLSA-N 2 2 373.457 0.518 10 0 FCAELP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NCc2ccc3c[nH+]cn3c2)C[C@H](C)O1 ZINC000422471946 490340751 /nfs/dbraw/zinc/34/07/51/490340751.db2.gz KILWDHCAYPOYFJ-GASCZTMLSA-N 2 2 373.457 0.518 10 0 FCAELP CC1CCC([NH+]2CCN(C(=O)C(=O)NCCc3cn(C)c[nH+]3)CC2)CC1 ZINC000422477500 490345864 /nfs/dbraw/zinc/34/58/64/490345864.db2.gz NAKWFSLRTKLVLL-UHFFFAOYSA-N 2 2 361.490 0.802 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@](C)(O)Cn1ccccc1=O ZINC000468320766 490385931 /nfs/dbraw/zinc/38/59/31/490385931.db2.gz PRXIVQBJYBDOJO-LJQANCHMSA-N 2 2 364.490 0.084 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@](C)(O)Cn1ccccc1=O ZINC000468320766 490385938 /nfs/dbraw/zinc/38/59/38/490385938.db2.gz PRXIVQBJYBDOJO-LJQANCHMSA-N 2 2 364.490 0.084 10 0 FCAELP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000535313798 490477560 /nfs/dbraw/zinc/47/75/60/490477560.db2.gz KRKHIDWUHLDFNI-ZDUSSCGKSA-N 2 2 371.445 0.047 10 0 FCAELP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000535313798 490477564 /nfs/dbraw/zinc/47/75/64/490477564.db2.gz KRKHIDWUHLDFNI-ZDUSSCGKSA-N 2 2 371.445 0.047 10 0 FCAELP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000422832279 490483469 /nfs/dbraw/zinc/48/34/69/490483469.db2.gz FMMKIAKPYRBJAD-PKOBYXMFSA-N 3 2 366.550 0.970 10 0 FCAELP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422911921 490495972 /nfs/dbraw/zinc/49/59/72/490495972.db2.gz UWDRHHQTENLQBT-MOPGFXCFSA-N 3 2 360.502 0.835 10 0 FCAELP CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422939556 490503970 /nfs/dbraw/zinc/50/39/70/490503970.db2.gz MBWGRDKXVSMOKZ-SJORKVTESA-N 2 2 353.488 0.794 10 0 FCAELP O=C(C1CCC1)N1CCN(CC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000422952598 490504536 /nfs/dbraw/zinc/50/45/36/490504536.db2.gz BNAZLVPTDYDNRT-MSOLQXFVSA-N 2 2 350.507 0.287 10 0 FCAELP O=C(C1CCC1)N1CCN(CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000422952601 490504836 /nfs/dbraw/zinc/50/48/36/490504836.db2.gz BNAZLVPTDYDNRT-ZWKOTPCHSA-N 2 2 350.507 0.287 10 0 FCAELP CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)c[nH+]1 ZINC000422977785 490508615 /nfs/dbraw/zinc/50/86/15/490508615.db2.gz GEVMHFDMCMIZQK-UHFFFAOYSA-N 2 2 359.474 0.899 10 0 FCAELP CC[NH+](CC)CC[C@@H](CO)NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000535835830 490535644 /nfs/dbraw/zinc/53/56/44/490535644.db2.gz RHSQUVPXQPMHKK-KRWDZBQOSA-N 2 2 363.506 0.413 10 0 FCAELP CC[NH+](CC)CC[C@H](CO)NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000535835831 490536186 /nfs/dbraw/zinc/53/61/86/490536186.db2.gz RHSQUVPXQPMHKK-QGZVFWFLSA-N 2 2 363.506 0.413 10 0 FCAELP NC(=O)NC(=O)C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510874419 490545328 /nfs/dbraw/zinc/54/53/28/490545328.db2.gz KLDMUGXMWCVYBC-UHFFFAOYSA-N 2 2 370.207 0.936 10 0 FCAELP NC(=O)NC(=O)C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510874419 490545330 /nfs/dbraw/zinc/54/53/30/490545330.db2.gz KLDMUGXMWCVYBC-UHFFFAOYSA-N 2 2 370.207 0.936 10 0 FCAELP CN(C)c1nc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc(=O)[nH]1 ZINC000549259662 490572055 /nfs/dbraw/zinc/57/20/55/490572055.db2.gz BBVZYSWIGXACHD-YIONKMFJSA-N 2 2 374.489 0.631 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](N3CCCC3=O)C2)C1 ZINC000536371987 490573512 /nfs/dbraw/zinc/57/35/12/490573512.db2.gz YQWKOSBHYYGMKZ-IRXDYDNUSA-N 2 2 366.506 0.156 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](N3CCCC3=O)C2)C1 ZINC000536371987 490573516 /nfs/dbraw/zinc/57/35/16/490573516.db2.gz YQWKOSBHYYGMKZ-IRXDYDNUSA-N 2 2 366.506 0.156 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@H](N3CCCC3=O)C2)C1 ZINC000536371987 490573518 /nfs/dbraw/zinc/57/35/18/490573518.db2.gz YQWKOSBHYYGMKZ-IRXDYDNUSA-N 2 2 366.506 0.156 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@H](N3CCCC3=O)C2)C1 ZINC000536371987 490573524 /nfs/dbraw/zinc/57/35/24/490573524.db2.gz YQWKOSBHYYGMKZ-IRXDYDNUSA-N 2 2 366.506 0.156 10 0 FCAELP C[C@H](CNC(=O)c1cccc(N2CC[NH+](C)CC2)n1)C[NH+]1CCN(C)CC1 ZINC000536600358 490596384 /nfs/dbraw/zinc/59/63/84/490596384.db2.gz AETXSMSPEOVZCW-QGZVFWFLSA-N 2 2 374.533 0.447 10 0 FCAELP C[C@H](CNC(=O)c1cccc(N2CC[NH+](C)CC2)n1)CN1CC[NH+](C)CC1 ZINC000536600358 490596391 /nfs/dbraw/zinc/59/63/91/490596391.db2.gz AETXSMSPEOVZCW-QGZVFWFLSA-N 2 2 374.533 0.447 10 0 FCAELP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)c2ccc(C[NH+](C)C)nc2)CC1 ZINC000549735485 490598049 /nfs/dbraw/zinc/59/80/49/490598049.db2.gz KZOQTFOWJCPVQM-INIZCTEOSA-N 2 2 373.501 0.912 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000511951617 490642282 /nfs/dbraw/zinc/64/22/82/490642282.db2.gz UANBGUWTLLZDOA-UHFFFAOYSA-N 2 2 366.506 0.300 10 0 FCAELP CN(C)c1nc(N2CCN(C(=O)C(C)(C)[NH+]3CCOCC3)CC2)cc[nH+]1 ZINC000513444750 490729533 /nfs/dbraw/zinc/72/95/33/490729533.db2.gz PECFXYYQEOUDAJ-UHFFFAOYSA-N 2 2 362.478 0.302 10 0 FCAELP O=S(=O)(NCCC[NH+]1CCOCC1)c1ccccc1Cn1cc[nH+]c1 ZINC000538681001 490744283 /nfs/dbraw/zinc/74/42/83/490744283.db2.gz WFSDUZCXAGDWBR-UHFFFAOYSA-N 2 2 364.471 0.932 10 0 FCAELP CCn1c(N)c(C(=O)C[NH+]2CCC(C[NH+](CC)CC)CC2)c(=O)[nH]c1=O ZINC000488299552 490754674 /nfs/dbraw/zinc/75/46/74/490754674.db2.gz ZHMREQABLITVSN-UHFFFAOYSA-N 2 2 365.478 0.788 10 0 FCAELP CC[NH+](CC)CC1CC[NH+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CC1 ZINC000488386652 490758183 /nfs/dbraw/zinc/75/81/83/490758183.db2.gz ANZSPCOJRNCWKK-UHFFFAOYSA-N 2 2 362.478 0.514 10 0 FCAELP O=C(Cn1c[nH+]c2c1CCCC2)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000539797766 490796471 /nfs/dbraw/zinc/79/64/71/490796471.db2.gz ZAEGDYVCEKCARH-INIZCTEOSA-N 2 2 362.474 0.712 10 0 FCAELP O=C(CCOC1C[NH2+]C1)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000515350122 490821099 /nfs/dbraw/zinc/82/10/99/490821099.db2.gz DVXBLCJAJJEQRX-UHFFFAOYSA-N 2 2 366.506 0.206 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)C1 ZINC000528779497 490828144 /nfs/dbraw/zinc/82/81/44/490828144.db2.gz AHJCHPPNDBATMW-YUOFKWFOSA-N 2 2 371.547 0.445 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)C1 ZINC000528779497 490828146 /nfs/dbraw/zinc/82/81/46/490828146.db2.gz AHJCHPPNDBATMW-YUOFKWFOSA-N 2 2 371.547 0.445 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)C1 ZINC000528779497 490828149 /nfs/dbraw/zinc/82/81/49/490828149.db2.gz AHJCHPPNDBATMW-YUOFKWFOSA-N 2 2 371.547 0.445 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)C1 ZINC000528779497 490828152 /nfs/dbraw/zinc/82/81/52/490828152.db2.gz AHJCHPPNDBATMW-YUOFKWFOSA-N 2 2 371.547 0.445 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)N[C@@H]2CC[NH2+]C23CCC3)C1=O ZINC000529320452 490851371 /nfs/dbraw/zinc/85/13/71/490851371.db2.gz DWQMYLHJARWHKT-ZIAGYGMSSA-N 2 2 360.462 0.495 10 0 FCAELP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000529325971 490852898 /nfs/dbraw/zinc/85/28/98/490852898.db2.gz RQMYMBGGZFJNHG-GJZGRUSLSA-N 2 2 362.478 0.551 10 0 FCAELP CN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000542129367 490886918 /nfs/dbraw/zinc/88/69/18/490886918.db2.gz ZJSNMTQMFJAZCN-OAHLLOKOSA-N 2 2 362.478 0.648 10 0 FCAELP C[C@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530227132 490893700 /nfs/dbraw/zinc/89/37/00/490893700.db2.gz BTEWGPQBXMOQOR-HOTGVXAUSA-N 2 2 351.495 0.419 10 0 FCAELP O=C(N1CC[NH2+]CC1)N1CC[NH+](Cc2ccccc2N2CCOCC2)CC1 ZINC000530242049 490894969 /nfs/dbraw/zinc/89/49/69/490894969.db2.gz JLZOAQYYSLMNCV-UHFFFAOYSA-N 2 2 373.501 0.666 10 0 FCAELP CN(CCC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)c1cc[nH+]cc1 ZINC000542787264 490909176 /nfs/dbraw/zinc/90/91/76/490909176.db2.gz FATCKTFVQVWPCM-UHFFFAOYSA-N 2 2 359.474 0.675 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNc2nc(NCCO)c3ccccc3[nH+]2)C1 ZINC000530670946 490918728 /nfs/dbraw/zinc/91/87/28/490918728.db2.gz FNNQGJFCFYIAHQ-HNNXBMFYSA-N 2 2 359.474 0.647 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNc2nc(NCCO)c3ccccc3[nH+]2)C1 ZINC000530670946 490918729 /nfs/dbraw/zinc/91/87/29/490918729.db2.gz FNNQGJFCFYIAHQ-HNNXBMFYSA-N 2 2 359.474 0.647 10 0 FCAELP CC[NH+]1CCN(CC(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)CC1 ZINC000530679853 490918943 /nfs/dbraw/zinc/91/89/43/490918943.db2.gz QUSJYYZSBULTJB-UHFFFAOYSA-N 2 2 360.506 0.816 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000543043795 490919836 /nfs/dbraw/zinc/91/98/36/490919836.db2.gz LNWXFXMJTAJFHP-GDBMZVCRSA-N 2 2 374.489 0.695 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1=O ZINC000543043795 490919838 /nfs/dbraw/zinc/91/98/38/490919838.db2.gz LNWXFXMJTAJFHP-GDBMZVCRSA-N 2 2 374.489 0.695 10 0 FCAELP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C[N@@H+]1C1CC1 ZINC000543042342 490919992 /nfs/dbraw/zinc/91/99/92/490919992.db2.gz VETNAMLTGXHEPO-IJEWVQPXSA-N 2 2 374.489 0.836 10 0 FCAELP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C[N@H+]1C1CC1 ZINC000543042342 490919994 /nfs/dbraw/zinc/91/99/94/490919994.db2.gz VETNAMLTGXHEPO-IJEWVQPXSA-N 2 2 374.489 0.836 10 0 FCAELP O=C(N[C@@H](CO)C[NH+]1CCOCC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000517925252 490924863 /nfs/dbraw/zinc/92/48/63/490924863.db2.gz FXBHEYJSCVGEOE-CVEARBPZSA-N 2 2 357.520 0.013 10 0 FCAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000518979628 490957197 /nfs/dbraw/zinc/95/71/97/490957197.db2.gz PIGMXBSBGYNEAC-LSDHHAIUSA-N 2 2 352.431 0.591 10 0 FCAELP OCC[N@H+]1CCCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000518979628 490957199 /nfs/dbraw/zinc/95/71/99/490957199.db2.gz PIGMXBSBGYNEAC-LSDHHAIUSA-N 2 2 352.431 0.591 10 0 FCAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000531685149 490970504 /nfs/dbraw/zinc/97/05/04/490970504.db2.gz KDGINXFLLCIRQF-YJBOKZPZSA-N 2 2 367.515 0.888 10 0 FCAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000531685149 490970507 /nfs/dbraw/zinc/97/05/07/490970507.db2.gz KDGINXFLLCIRQF-YJBOKZPZSA-N 2 2 367.515 0.888 10 0 FCAELP CN(C(=O)CS(=O)(=O)NC(C)(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601476427 491925919 /nfs/dbraw/zinc/92/59/19/491925919.db2.gz DTCQSKVNAKRCLJ-HNNXBMFYSA-N 2 2 374.551 0.331 10 0 FCAELP CN(C(=O)CS(=O)(=O)NC(C)(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601476427 491925921 /nfs/dbraw/zinc/92/59/21/491925921.db2.gz DTCQSKVNAKRCLJ-HNNXBMFYSA-N 2 2 374.551 0.331 10 0 FCAELP O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000569599116 491173275 /nfs/dbraw/zinc/17/32/75/491173275.db2.gz LQUYRRCFCBBBSO-JKSUJKDBSA-N 2 2 362.478 0.357 10 0 FCAELP Cn1ccnc1[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000569686490 491181309 /nfs/dbraw/zinc/18/13/09/491181309.db2.gz MDXXELJDLHRBQL-QZTJIDSGSA-N 2 2 361.465 0.847 10 0 FCAELP COC(=O)c1cccc2c1CC[N@@H+]([C@@H]1CC(=O)N(CC[NH+](C)C)C1=O)C2 ZINC000562733985 491185305 /nfs/dbraw/zinc/18/53/05/491185305.db2.gz SLHSVMXHLOVFLV-MRXNPFEDSA-N 2 2 359.426 0.520 10 0 FCAELP COC(=O)c1cccc2c1CC[N@H+]([C@@H]1CC(=O)N(CC[NH+](C)C)C1=O)C2 ZINC000562733985 491185310 /nfs/dbraw/zinc/18/53/10/491185310.db2.gz SLHSVMXHLOVFLV-MRXNPFEDSA-N 2 2 359.426 0.520 10 0 FCAELP CSc1ccc(N2C[C@@H](C(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])CC2=O)cc1 ZINC000565362265 491372285 /nfs/dbraw/zinc/37/22/85/491372285.db2.gz XFFLDQNHTQRHKS-ZFWWWQNUSA-N 2 2 362.499 0.863 10 0 FCAELP CSc1ccc(N2C[C@@H](C(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])CC2=O)cc1 ZINC000565362265 491372287 /nfs/dbraw/zinc/37/22/87/491372287.db2.gz XFFLDQNHTQRHKS-ZFWWWQNUSA-N 2 2 362.499 0.863 10 0 FCAELP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000557493049 491378611 /nfs/dbraw/zinc/37/86/11/491378611.db2.gz ICIJOAJVEYHXIJ-LSDHHAIUSA-N 2 2 363.462 0.343 10 0 FCAELP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000557493049 491378613 /nfs/dbraw/zinc/37/86/13/491378613.db2.gz ICIJOAJVEYHXIJ-LSDHHAIUSA-N 2 2 363.462 0.343 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000572649074 491384588 /nfs/dbraw/zinc/38/45/88/491384588.db2.gz ZUPLMSXVEBMRSB-HKUYNNGSSA-N 3 2 352.523 0.535 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000572649074 491384590 /nfs/dbraw/zinc/38/45/90/491384590.db2.gz 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/nfs/dbraw/zinc/96/42/83/491964283.db2.gz ZXBHXGQZJHOIPN-IAGOWNOFSA-N 2 2 350.532 0.999 10 0 FCAELP COC(=O)Cc1cc[nH+]c(NCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000596070353 491974858 /nfs/dbraw/zinc/97/48/58/491974858.db2.gz CJTXIUNXXLHQPK-UHFFFAOYSA-N 2 2 370.457 1.211 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CNC(=O)c3ccsc3)C2)CC1 ZINC000602330579 491979726 /nfs/dbraw/zinc/97/97/26/491979726.db2.gz LWUAJVBMPRVZQZ-AWEZNQCLSA-N 2 2 350.488 0.763 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CNC(=O)c3ccsc3)C2)CC1 ZINC000602330579 491979728 /nfs/dbraw/zinc/97/97/28/491979728.db2.gz LWUAJVBMPRVZQZ-AWEZNQCLSA-N 2 2 350.488 0.763 10 0 FCAELP COC(=O)[C@H]1CN(C(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C)CC[N@H+](C)C1 ZINC000596693213 491995825 /nfs/dbraw/zinc/99/58/25/491995825.db2.gz UCCLFECVHRKOGT-JKSUJKDBSA-N 3 2 371.526 0.005 10 0 FCAELP COC(=O)[C@H]1CN(C(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C)CC[N@@H+](C)C1 ZINC000596693213 491995828 /nfs/dbraw/zinc/99/58/28/491995828.db2.gz UCCLFECVHRKOGT-JKSUJKDBSA-N 3 2 371.526 0.005 10 0 FCAELP COC(=O)[C@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC[NH+](C)C1 ZINC000596693213 491995830 /nfs/dbraw/zinc/99/58/30/491995830.db2.gz UCCLFECVHRKOGT-JKSUJKDBSA-N 3 2 371.526 0.005 10 0 FCAELP COC(=O)[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC[NH+](C)C1 ZINC000596693213 491995833 /nfs/dbraw/zinc/99/58/33/491995833.db2.gz UCCLFECVHRKOGT-JKSUJKDBSA-N 3 2 371.526 0.005 10 0 FCAELP O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000614414100 492028780 /nfs/dbraw/zinc/02/87/80/492028780.db2.gz UADKFSOHYWNEIG-RBUKOAKNSA-N 2 2 361.486 0.675 10 0 FCAELP O=C(N1CCC[C@@H]([NH+]2CCOCC2)CC1)C1([NH+]2CCOCC2)CCC1 ZINC000614437036 492029856 /nfs/dbraw/zinc/02/98/56/492029856.db2.gz AUYAYIMYNHDVDI-QGZVFWFLSA-N 2 2 351.491 0.955 10 0 FCAELP C[NH+]1CCN(Cc2ccc(C(=O)NC[C@H]3C[N@@H+]4CCN3CCC4)cc2)CC1 ZINC000614506778 492034982 /nfs/dbraw/zinc/03/49/82/492034982.db2.gz IJSGFEKRFBOTAV-FQEVSTJZSA-N 2 2 371.529 0.554 10 0 FCAELP C[NH+]1CCN(Cc2ccc(C(=O)NC[C@H]3C[N@H+]4CCN3CCC4)cc2)CC1 ZINC000614506778 492034985 /nfs/dbraw/zinc/03/49/85/492034985.db2.gz IJSGFEKRFBOTAV-FQEVSTJZSA-N 2 2 371.529 0.554 10 0 FCAELP CN1CC[NH+](Cc2ccc(C(=O)NC[C@H]3C[N@@H+]4CCN3CCC4)cc2)CC1 ZINC000614506778 492034987 /nfs/dbraw/zinc/03/49/87/492034987.db2.gz IJSGFEKRFBOTAV-FQEVSTJZSA-N 2 2 371.529 0.554 10 0 FCAELP CN1CC[NH+](Cc2ccc(C(=O)NC[C@H]3C[N@H+]4CCN3CCC4)cc2)CC1 ZINC000614506778 492034991 /nfs/dbraw/zinc/03/49/91/492034991.db2.gz IJSGFEKRFBOTAV-FQEVSTJZSA-N 2 2 371.529 0.554 10 0 FCAELP C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000615268689 492083406 /nfs/dbraw/zinc/08/34/06/492083406.db2.gz WZDBYIIIXFIXNG-MOPGFXCFSA-N 2 2 374.485 0.849 10 0 FCAELP C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000615268689 492083408 /nfs/dbraw/zinc/08/34/08/492083408.db2.gz WZDBYIIIXFIXNG-MOPGFXCFSA-N 2 2 374.485 0.849 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC[C@@H](O)C(F)(F)F)C2)CC1 ZINC000605876381 492104371 /nfs/dbraw/zinc/10/43/71/492104371.db2.gz CHVPJRUIYHGTIW-WCQYABFASA-N 2 2 352.401 0.767 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC[C@@H](O)C(F)(F)F)C2)CC1 ZINC000605876381 492104372 /nfs/dbraw/zinc/10/43/72/492104372.db2.gz CHVPJRUIYHGTIW-WCQYABFASA-N 2 2 352.401 0.767 10 0 FCAELP C[C@@H]1C[N@H+](CCNC(=O)c2cccc(N3CC[NH+](C)CC3)n2)[C@@H](C)CO1 ZINC000617726830 492184660 /nfs/dbraw/zinc/18/46/60/492184660.db2.gz AADAYRKTTQQYAV-JKSUJKDBSA-N 2 2 361.490 0.672 10 0 FCAELP C[C@@H]1C[N@@H+](CCNC(=O)c2cccc(N3CC[NH+](C)CC3)n2)[C@@H](C)CO1 ZINC000617726830 492184661 /nfs/dbraw/zinc/18/46/61/492184661.db2.gz AADAYRKTTQQYAV-JKSUJKDBSA-N 2 2 361.490 0.672 10 0 FCAELP COC(=O)[C@]1(OC)CC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000599565418 492188815 /nfs/dbraw/zinc/18/88/15/492188815.db2.gz SFOHZHRMKSPAQM-APWZRJJASA-N 2 2 363.458 0.669 10 0 FCAELP COC(=O)[C@]1(OC)CC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000599565418 492188818 /nfs/dbraw/zinc/18/88/18/492188818.db2.gz SFOHZHRMKSPAQM-APWZRJJASA-N 2 2 363.458 0.669 10 0 FCAELP Cc1nc2ccccc2c(=O)n1CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617763926 492189753 /nfs/dbraw/zinc/18/97/53/492189753.db2.gz BRLFVYZRIGABKD-UHFFFAOYSA-N 2 2 359.474 0.705 10 0 FCAELP Cc1nc2ccccc2c(=O)n1CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617763926 492189755 /nfs/dbraw/zinc/18/97/55/492189755.db2.gz BRLFVYZRIGABKD-UHFFFAOYSA-N 2 2 359.474 0.705 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)CNC(=O)c1cc2ccccc2[nH]1 ZINC000617766318 492190025 /nfs/dbraw/zinc/19/00/25/492190025.db2.gz GGOACKCHSMDJSC-UHFFFAOYSA-N 2 2 359.474 0.897 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CNC(=O)c1cc2ccccc2[nH]1 ZINC000617766318 492190028 /nfs/dbraw/zinc/19/00/28/492190028.db2.gz GGOACKCHSMDJSC-UHFFFAOYSA-N 2 2 359.474 0.897 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1CCN(C(=O)N2CCCC2)CC1 ZINC000617767373 492190360 /nfs/dbraw/zinc/19/03/60/492190360.db2.gz RHOYUMXXUHEXTK-UHFFFAOYSA-N 2 2 367.538 0.914 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1CCN(C(=O)N2CCCC2)CC1 ZINC000617767373 492190362 /nfs/dbraw/zinc/19/03/62/492190362.db2.gz RHOYUMXXUHEXTK-UHFFFAOYSA-N 2 2 367.538 0.914 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(F)c(NS(C)(=O)=O)c1 ZINC000617767182 492191024 /nfs/dbraw/zinc/19/10/24/492191024.db2.gz JUCPHSNTVPCOMP-UHFFFAOYSA-N 2 2 374.482 0.811 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(F)c(NS(C)(=O)=O)c1 ZINC000617767182 492191026 /nfs/dbraw/zinc/19/10/26/492191026.db2.gz JUCPHSNTVPCOMP-UHFFFAOYSA-N 2 2 374.482 0.811 10 0 FCAELP COC(=O)CCN1CCC[C@@H]([NH+]2CCC(C)([NH+]3CCOCC3)CC2)C1=O ZINC000599623095 492194647 /nfs/dbraw/zinc/19/46/47/492194647.db2.gz QMYXHQWZWSDVHO-MRXNPFEDSA-N 2 2 367.490 0.727 10 0 FCAELP O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000627446172 492299037 /nfs/dbraw/zinc/29/90/37/492299037.db2.gz HKCGVPRDZUKWLT-KRWDZBQOSA-N 2 2 356.470 0.732 10 0 FCAELP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654431929 492302053 /nfs/dbraw/zinc/30/20/53/492302053.db2.gz CQIDHXGIUZOKKB-VQHPVUNQSA-N 2 2 355.527 0.419 10 0 FCAELP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654431929 492302057 /nfs/dbraw/zinc/30/20/57/492302057.db2.gz CQIDHXGIUZOKKB-VQHPVUNQSA-N 2 2 355.527 0.419 10 0 FCAELP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654431929 492302059 /nfs/dbraw/zinc/30/20/59/492302059.db2.gz CQIDHXGIUZOKKB-VQHPVUNQSA-N 2 2 355.527 0.419 10 0 FCAELP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654431929 492302061 /nfs/dbraw/zinc/30/20/61/492302061.db2.gz CQIDHXGIUZOKKB-VQHPVUNQSA-N 2 2 355.527 0.419 10 0 FCAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000627457319 492303997 /nfs/dbraw/zinc/30/39/97/492303997.db2.gz RBDIHIHSZGREIV-DLBZAZTESA-N 2 2 374.485 0.596 10 0 FCAELP C[C@H](CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654508915 492313851 /nfs/dbraw/zinc/31/38/51/492313851.db2.gz NJIBYVPUKZFLOH-ZACQAIPSSA-N 3 2 369.554 0.809 10 0 FCAELP C[C@H](CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654508915 492313854 /nfs/dbraw/zinc/31/38/54/492313854.db2.gz NJIBYVPUKZFLOH-ZACQAIPSSA-N 3 2 369.554 0.809 10 0 FCAELP C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C[NH2+]1 ZINC000627484078 492317588 /nfs/dbraw/zinc/31/75/88/492317588.db2.gz QKUWNGAYXLXMOQ-ZFWWWQNUSA-N 2 2 350.488 0.649 10 0 FCAELP C[C@@H]1C[N@@H+](CCCNc2nc(NCCO)c3ccccc3[nH+]2)C[C@H](C)O1 ZINC000641847970 492319085 /nfs/dbraw/zinc/31/90/85/492319085.db2.gz ODRDYXDFHPCICV-GASCZTMLSA-N 2 2 359.474 0.789 10 0 FCAELP C[C@@H]1C[N@H+](CCCNc2nc(NCCO)c3ccccc3[nH+]2)C[C@H](C)O1 ZINC000641847970 492319088 /nfs/dbraw/zinc/31/90/88/492319088.db2.gz ODRDYXDFHPCICV-GASCZTMLSA-N 2 2 359.474 0.789 10 0 FCAELP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000627489104 492319948 /nfs/dbraw/zinc/31/99/48/492319948.db2.gz RKPMXPYKBWASCK-UHFFFAOYSA-N 2 2 362.474 0.121 10 0 FCAELP CC[NH+]1CCN(CC(=O)NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)CC1 ZINC000620724187 492327433 /nfs/dbraw/zinc/32/74/33/492327433.db2.gz XHRSPQQPEYPIIG-FQEVSTJZSA-N 2 2 373.545 0.556 10 0 FCAELP CC[NH+]1CCN(CC(=O)NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)CC1 ZINC000620724187 492327437 /nfs/dbraw/zinc/32/74/37/492327437.db2.gz XHRSPQQPEYPIIG-FQEVSTJZSA-N 2 2 373.545 0.556 10 0 FCAELP CC[NH+]1CCN(CC(=O)NC[C@H]2CN(C)CC[N@@H+]2Cc2ccccc2)CC1 ZINC000620724187 492327440 /nfs/dbraw/zinc/32/74/40/492327440.db2.gz XHRSPQQPEYPIIG-FQEVSTJZSA-N 2 2 373.545 0.556 10 0 FCAELP CC[NH+]1CCN(CC(=O)NC[C@H]2CN(C)CC[N@H+]2Cc2ccccc2)CC1 ZINC000620724187 492327442 /nfs/dbraw/zinc/32/74/42/492327442.db2.gz XHRSPQQPEYPIIG-FQEVSTJZSA-N 2 2 373.545 0.556 10 0 FCAELP C[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650064 492331159 /nfs/dbraw/zinc/33/11/59/492331159.db2.gz AGQSRJGISSBMAO-BDXSIMOUSA-N 2 2 368.522 0.990 10 0 FCAELP C[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650064 492331162 /nfs/dbraw/zinc/33/11/62/492331162.db2.gz AGQSRJGISSBMAO-BDXSIMOUSA-N 2 2 368.522 0.990 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654653387 492332681 /nfs/dbraw/zinc/33/26/81/492332681.db2.gz ARVMUTCNHKXDPM-VQHPVUNQSA-N 2 2 356.511 0.846 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654653387 492332684 /nfs/dbraw/zinc/33/26/84/492332684.db2.gz ARVMUTCNHKXDPM-VQHPVUNQSA-N 2 2 356.511 0.846 10 0 FCAELP C[C@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654122 492333604 /nfs/dbraw/zinc/33/36/04/492333604.db2.gz SFUCKEODGGOOOA-VQHPVUNQSA-N 2 2 370.538 0.971 10 0 FCAELP C[C@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654122 492333605 /nfs/dbraw/zinc/33/36/05/492333605.db2.gz SFUCKEODGGOOOA-VQHPVUNQSA-N 2 2 370.538 0.971 10 0 FCAELP C[C@H](CNC(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654122 492333607 /nfs/dbraw/zinc/33/36/07/492333607.db2.gz SFUCKEODGGOOOA-VQHPVUNQSA-N 2 2 370.538 0.971 10 0 FCAELP C[C@H](CNC(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654122 492333608 /nfs/dbraw/zinc/33/36/08/492333608.db2.gz SFUCKEODGGOOOA-VQHPVUNQSA-N 2 2 370.538 0.971 10 0 FCAELP C[C@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654121 492333989 /nfs/dbraw/zinc/33/39/89/492333989.db2.gz SFUCKEODGGOOOA-TWMKSMIVSA-N 2 2 370.538 0.971 10 0 FCAELP C[C@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654121 492334003 /nfs/dbraw/zinc/33/40/03/492334003.db2.gz SFUCKEODGGOOOA-TWMKSMIVSA-N 2 2 370.538 0.971 10 0 FCAELP C[C@H](CNC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654121 492334011 /nfs/dbraw/zinc/33/40/11/492334011.db2.gz SFUCKEODGGOOOA-TWMKSMIVSA-N 2 2 370.538 0.971 10 0 FCAELP C[C@H](CNC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654121 492334016 /nfs/dbraw/zinc/33/40/16/492334016.db2.gz SFUCKEODGGOOOA-TWMKSMIVSA-N 2 2 370.538 0.971 10 0 FCAELP C[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+]2CCO[C@H]1C2)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655702 492335373 /nfs/dbraw/zinc/33/53/73/492335373.db2.gz UXJPQATUAPIORT-KSWRQPAISA-N 2 2 354.495 0.599 10 0 FCAELP C[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+]2CCO[C@H]1C2)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655702 492335374 /nfs/dbraw/zinc/33/53/74/492335374.db2.gz UXJPQATUAPIORT-KSWRQPAISA-N 2 2 354.495 0.599 10 0 FCAELP C[C@@H](CNC(=O)N(C)[C@H]1CC[NH+]2CCO[C@H]1C2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655702 492335376 /nfs/dbraw/zinc/33/53/76/492335376.db2.gz UXJPQATUAPIORT-KSWRQPAISA-N 2 2 354.495 0.599 10 0 FCAELP C[C@@H](CNC(=O)N(C)[C@H]1CC[NH+]2CCO[C@H]1C2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655702 492335377 /nfs/dbraw/zinc/33/53/77/492335377.db2.gz UXJPQATUAPIORT-KSWRQPAISA-N 2 2 354.495 0.599 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(-n4cnnn4)cn3)CC2)CC1 ZINC000654657394 492335516 /nfs/dbraw/zinc/33/55/16/492335516.db2.gz FEZZIEHKUGPGME-UHFFFAOYSA-N 2 2 370.461 0.346 10 0 FCAELP CC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C)[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000642188621 492339384 /nfs/dbraw/zinc/33/93/84/492339384.db2.gz BVWISQZMQSRMKH-DVJZZOLTSA-N 2 2 372.391 0.819 10 0 FCAELP CC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C)[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000642188621 492339386 /nfs/dbraw/zinc/33/93/86/492339386.db2.gz BVWISQZMQSRMKH-DVJZZOLTSA-N 2 2 372.391 0.819 10 0 FCAELP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000647678936 492344123 /nfs/dbraw/zinc/34/41/23/492344123.db2.gz GJEUWQPALDZDLM-AZUAARDMSA-N 2 2 372.513 0.691 10 0 FCAELP O=C(NC[C@H]1C[N@H+]2CCN1CCC2)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000647678936 492344125 /nfs/dbraw/zinc/34/41/25/492344125.db2.gz GJEUWQPALDZDLM-AZUAARDMSA-N 2 2 372.513 0.691 10 0 FCAELP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[NH+](C[C@@H](C)O)CC3)CC2)CC1 ZINC000654745551 492347151 /nfs/dbraw/zinc/34/71/51/492347151.db2.gz STAVABLQQZOXML-QGZVFWFLSA-N 3 2 366.550 0.708 10 0 FCAELP CC[NH+]1CCN(CCC(=O)N2CC[NH+](CCc3cnccn3)CC2)CC1 ZINC000634511635 492348220 /nfs/dbraw/zinc/34/82/20/492348220.db2.gz WSUQLBKLSXBNQE-UHFFFAOYSA-N 2 2 360.506 0.191 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-n2cnnn2)cn1 ZINC000654781383 492351369 /nfs/dbraw/zinc/35/13/69/492351369.db2.gz AJFLWDFYLNWDAR-UHFFFAOYSA-N 2 2 358.450 0.155 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-n2cnnn2)cn1 ZINC000654781383 492351371 /nfs/dbraw/zinc/35/13/71/492351371.db2.gz AJFLWDFYLNWDAR-UHFFFAOYSA-N 2 2 358.450 0.155 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cccc2c1OCC2 ZINC000627637689 492355211 /nfs/dbraw/zinc/35/52/11/492355211.db2.gz QOUNZLLRKHRSGS-AWEZNQCLSA-N 2 2 362.474 0.948 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cccc2c1OCC2 ZINC000627637689 492355213 /nfs/dbraw/zinc/35/52/13/492355213.db2.gz QOUNZLLRKHRSGS-AWEZNQCLSA-N 2 2 362.474 0.948 10 0 FCAELP [NH3+]CCCNC(=O)C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000642892599 492397334 /nfs/dbraw/zinc/39/73/34/492397334.db2.gz JTXDLEYJKWRTQR-UHFFFAOYSA-N 2 2 372.391 0.815 10 0 FCAELP C[C@@H]([NH3+])CNC(=O)C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000642910846 492402304 /nfs/dbraw/zinc/40/23/04/492402304.db2.gz PIPBWVTYCUHYDO-CYBMUJFWSA-N 2 2 368.865 0.326 10 0 FCAELP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000627862372 492403579 /nfs/dbraw/zinc/40/35/79/492403579.db2.gz HZQWMNWQBHIJAJ-UHFFFAOYSA-N 2 2 362.430 0.742 10 0 FCAELP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NC1CCN(c3cccc[nH+]3)CC1)C2 ZINC000621843863 492424675 /nfs/dbraw/zinc/42/46/75/492424675.db2.gz MPAXDBZTLNHGNH-KUHUBIRLSA-N 2 2 357.458 0.506 10 0 FCAELP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[NH+](CCCF)CC1 ZINC000627962681 492427916 /nfs/dbraw/zinc/42/79/16/492427916.db2.gz ZZHWFYDGOBKTGT-INIZCTEOSA-N 2 2 367.469 0.987 10 0 FCAELP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[NH+](CCCF)CC1 ZINC000627962681 492427919 /nfs/dbraw/zinc/42/79/19/492427919.db2.gz ZZHWFYDGOBKTGT-INIZCTEOSA-N 2 2 367.469 0.987 10 0 FCAELP C[NH+]1CCC(CNC(=O)NC[C@H]2CCCNC2=O)([NH+]2CCCCC2)CC1 ZINC000655613336 492464522 /nfs/dbraw/zinc/46/45/22/492464522.db2.gz AGQSHCCWSDRINI-MRXNPFEDSA-N 2 2 365.522 0.762 10 0 FCAELP Cc1c[nH+]cn1CC(=O)N1CCN(C(=O)Cn2c[nH+]cc2C)[C@H](C)[C@H]1C ZINC000628153442 492475605 /nfs/dbraw/zinc/47/56/05/492475605.db2.gz PTGWFLQKOBBEPT-HZPDHXFCSA-N 2 2 358.446 0.844 10 0 FCAELP CC(C)[C@H]1CN(C(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC[NH2+]1 ZINC000643509232 492484678 /nfs/dbraw/zinc/48/46/78/492484678.db2.gz LDFSGFJCZPRBFI-DLBZAZTESA-N 2 2 366.506 0.156 10 0 FCAELP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000643509177 492484707 /nfs/dbraw/zinc/48/47/07/492484707.db2.gz CPTFKTFFKXZZAK-DOTOQJQBSA-N 2 2 366.506 0.286 10 0 FCAELP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000643509179 492484827 /nfs/dbraw/zinc/48/48/27/492484827.db2.gz CPTFKTFFKXZZAK-RDJZCZTQSA-N 2 2 366.506 0.286 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)CC2)cc[nH+]1 ZINC000643532404 492491932 /nfs/dbraw/zinc/49/19/32/492491932.db2.gz UUHYBCMFHPGEJY-IBGZPJMESA-N 2 2 372.473 0.036 10 0 FCAELP CC[C@H]1CN(C(=O)C(=O)N2CCN(c3c[nH+]ccc3C)CC2)CC[C@@H]1[NH3+] ZINC000643541467 492494282 /nfs/dbraw/zinc/49/42/82/492494282.db2.gz NXWGIBUNFBOBPT-HOTGVXAUSA-N 2 2 359.474 0.624 10 0 FCAELP CC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000656039842 492522568 /nfs/dbraw/zinc/52/25/68/492522568.db2.gz IVGLZQYMWSLHPG-IBEHDNSVSA-N 2 2 354.495 0.186 10 0 FCAELP CC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000656039842 492522572 /nfs/dbraw/zinc/52/25/72/492522572.db2.gz IVGLZQYMWSLHPG-IBEHDNSVSA-N 2 2 354.495 0.186 10 0 FCAELP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656043101 492523487 /nfs/dbraw/zinc/52/34/87/492523487.db2.gz ZKKDWVCPXVIZMG-WCVJEAGWSA-N 2 2 356.511 0.432 10 0 FCAELP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656043101 492523490 /nfs/dbraw/zinc/52/34/90/492523490.db2.gz ZKKDWVCPXVIZMG-WCVJEAGWSA-N 2 2 356.511 0.432 10 0 FCAELP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000656075124 492535825 /nfs/dbraw/zinc/53/58/25/492535825.db2.gz BDGCHPFWDHRUDI-IYBDPMFKSA-N 2 2 354.495 0.012 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656316207 492588617 /nfs/dbraw/zinc/58/86/17/492588617.db2.gz PZJOXBWDHCTJIU-SUJAAXHWSA-N 2 2 354.495 0.199 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656316207 492588619 /nfs/dbraw/zinc/58/86/19/492588619.db2.gz PZJOXBWDHCTJIU-SUJAAXHWSA-N 2 2 354.495 0.199 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH+](C)[C@H](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656316207 492588620 /nfs/dbraw/zinc/58/86/20/492588620.db2.gz PZJOXBWDHCTJIU-SUJAAXHWSA-N 2 2 354.495 0.199 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH+](C)[C@H](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656316207 492588621 /nfs/dbraw/zinc/58/86/21/492588621.db2.gz PZJOXBWDHCTJIU-SUJAAXHWSA-N 2 2 354.495 0.199 10 0 FCAELP C[C@@H](C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)N1CC[NH+](C)CC1 ZINC000629438668 492630400 /nfs/dbraw/zinc/63/04/00/492630400.db2.gz LMUMRKJZTZEOMO-WMZOPIPTSA-N 2 2 361.490 0.035 10 0 FCAELP C[C@@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)N1CC[NH+](C)CC1 ZINC000629438668 492630404 /nfs/dbraw/zinc/63/04/04/492630404.db2.gz LMUMRKJZTZEOMO-WMZOPIPTSA-N 2 2 361.490 0.035 10 0 FCAELP C[NH+](C)CCN1CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1=O ZINC000650611011 492654564 /nfs/dbraw/zinc/65/45/64/492654564.db2.gz UKSMMHCMLHZJQA-UHFFFAOYSA-N 2 2 374.489 0.597 10 0 FCAELP C[C@H]1CCCc2nc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)cn21 ZINC000657090281 492714670 /nfs/dbraw/zinc/71/46/70/492714670.db2.gz BFGHVKQNFZGQCB-AWEZNQCLSA-N 2 2 357.524 0.942 10 0 FCAELP C[C@H]1CCCc2nc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)cn21 ZINC000657090281 492714673 /nfs/dbraw/zinc/71/46/73/492714673.db2.gz BFGHVKQNFZGQCB-AWEZNQCLSA-N 2 2 357.524 0.942 10 0 FCAELP c1cc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000657364659 492750327 /nfs/dbraw/zinc/75/03/27/492750327.db2.gz YIKBUHYMUXRAKY-QGZVFWFLSA-N 3 2 356.474 0.763 10 0 FCAELP Cn1nc(C(F)(F)F)cc1S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000625279713 492750761 /nfs/dbraw/zinc/75/07/61/492750761.db2.gz WVRWYWLTHIFXTA-UHFFFAOYSA-N 2 2 371.429 0.601 10 0 FCAELP Cn1nc(C(F)(F)F)cc1S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000625279713 492750765 /nfs/dbraw/zinc/75/07/65/492750765.db2.gz WVRWYWLTHIFXTA-UHFFFAOYSA-N 2 2 371.429 0.601 10 0 FCAELP Cc1cc(N2CCN(C(=O)Cn3ccnc3C[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000630583347 492753210 /nfs/dbraw/zinc/75/32/10/492753210.db2.gz FFPKITLBKPQGRE-UHFFFAOYSA-N 2 2 357.462 0.912 10 0 FCAELP C[NH+](C)CCN(C(=O)Cc1cn2c([nH+]1)CCCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000651455413 492761685 /nfs/dbraw/zinc/76/16/85/492761685.db2.gz NDSLTAFVPGIOGP-OAHLLOKOSA-N 2 2 368.503 0.339 10 0 FCAELP CN(C)c1[nH+]cc(C[NH2+]C[C@]2(CO)COCCN2Cc2ccccc2)n1C ZINC000657745457 492788595 /nfs/dbraw/zinc/78/85/95/492788595.db2.gz RCPVDIVYLUDLJD-FQEVSTJZSA-N 2 2 373.501 0.839 10 0 FCAELP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C2([NH+]3CCOCC3)CC2)CC1 ZINC000631141835 492799955 /nfs/dbraw/zinc/79/99/55/492799955.db2.gz YBOAIUFMAHYWST-QGZVFWFLSA-N 2 2 350.507 0.480 10 0 FCAELP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C2([NH+]3CCOCC3)CC2)CC1 ZINC000631141835 492799962 /nfs/dbraw/zinc/79/99/62/492799962.db2.gz YBOAIUFMAHYWST-QGZVFWFLSA-N 2 2 350.507 0.480 10 0 FCAELP CN(C(=O)C1(N2CCOCC2)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000631246916 492806499 /nfs/dbraw/zinc/80/64/99/492806499.db2.gz LNWFEAWDGRLVCG-KRWDZBQOSA-N 2 2 350.507 0.478 10 0 FCAELP CN(C(=O)C1(N2CCOCC2)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000631246916 492806504 /nfs/dbraw/zinc/80/65/04/492806504.db2.gz LNWFEAWDGRLVCG-KRWDZBQOSA-N 2 2 350.507 0.478 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccnc(N4CCOCC4)n3)C2)CC1 ZINC000625519481 492808746 /nfs/dbraw/zinc/80/87/46/492808746.db2.gz OMNRVXZITKCZLI-HNNXBMFYSA-N 2 2 374.489 0.212 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccnc(N4CCOCC4)n3)C2)CC1 ZINC000625519481 492808750 /nfs/dbraw/zinc/80/87/50/492808750.db2.gz OMNRVXZITKCZLI-HNNXBMFYSA-N 2 2 374.489 0.212 10 0 FCAELP O=C(N1CCC(OCC[NH+]2CCCC2)CC1)C1([NH+]2CCOCC2)CC1 ZINC000631580907 492824796 /nfs/dbraw/zinc/82/47/96/492824796.db2.gz BNEIOPJMXRJLRP-UHFFFAOYSA-N 2 2 351.491 0.955 10 0 FCAELP C[N@@H+]1CCO[C@@H](CS(=O)(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000631658050 492830162 /nfs/dbraw/zinc/83/01/62/492830162.db2.gz BXFFOUATHYLPNZ-IAGOWNOFSA-N 2 2 353.488 0.511 10 0 FCAELP C[N@H+]1CCO[C@@H](CS(=O)(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000631658050 492830164 /nfs/dbraw/zinc/83/01/64/492830164.db2.gz BXFFOUATHYLPNZ-IAGOWNOFSA-N 2 2 353.488 0.511 10 0 FCAELP C[NH+]1CCO[C@@H](CS(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000631658050 492830166 /nfs/dbraw/zinc/83/01/66/492830166.db2.gz BXFFOUATHYLPNZ-IAGOWNOFSA-N 2 2 353.488 0.511 10 0 FCAELP C[NH+]1CCO[C@@H](CS(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000631658050 492830167 /nfs/dbraw/zinc/83/01/67/492830167.db2.gz BXFFOUATHYLPNZ-IAGOWNOFSA-N 2 2 353.488 0.511 10 0 FCAELP C[N@@H+]1CCO[C@@H](CS(=O)(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000631735189 492844115 /nfs/dbraw/zinc/84/41/15/492844115.db2.gz XOZVMQIZXGTSSS-ZWKOTPCHSA-N 2 2 367.515 0.901 10 0 FCAELP C[N@H+]1CCO[C@@H](CS(=O)(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000631735189 492844118 /nfs/dbraw/zinc/84/41/18/492844118.db2.gz XOZVMQIZXGTSSS-ZWKOTPCHSA-N 2 2 367.515 0.901 10 0 FCAELP C[NH+]1CCO[C@@H](CS(=O)(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000631735189 492844122 /nfs/dbraw/zinc/84/41/22/492844122.db2.gz XOZVMQIZXGTSSS-ZWKOTPCHSA-N 2 2 367.515 0.901 10 0 FCAELP C[NH+]1CCO[C@@H](CS(=O)(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000631735189 492844126 /nfs/dbraw/zinc/84/41/26/492844126.db2.gz XOZVMQIZXGTSSS-ZWKOTPCHSA-N 2 2 367.515 0.901 10 0 FCAELP C[N@@H+]1CCO[C@@H](CS(=O)(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000631735187 492844593 /nfs/dbraw/zinc/84/45/93/492844593.db2.gz XOZVMQIZXGTSSS-QZTJIDSGSA-N 2 2 367.515 0.901 10 0 FCAELP C[N@H+]1CCO[C@@H](CS(=O)(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000631735187 492844598 /nfs/dbraw/zinc/84/45/98/492844598.db2.gz XOZVMQIZXGTSSS-QZTJIDSGSA-N 2 2 367.515 0.901 10 0 FCAELP C[NH+]1CCO[C@@H](CS(=O)(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000631735187 492844602 /nfs/dbraw/zinc/84/46/02/492844602.db2.gz XOZVMQIZXGTSSS-QZTJIDSGSA-N 2 2 367.515 0.901 10 0 FCAELP C[NH+]1CCO[C@@H](CS(=O)(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000631735187 492844607 /nfs/dbraw/zinc/84/46/07/492844607.db2.gz XOZVMQIZXGTSSS-QZTJIDSGSA-N 2 2 367.515 0.901 10 0 FCAELP Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)o1 ZINC000631776808 492851306 /nfs/dbraw/zinc/85/13/06/492851306.db2.gz PZLGHTQOHDTFIV-MRXNPFEDSA-N 2 2 359.492 0.612 10 0 FCAELP Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)o1 ZINC000631776808 492851311 /nfs/dbraw/zinc/85/13/11/492851311.db2.gz PZLGHTQOHDTFIV-MRXNPFEDSA-N 2 2 359.492 0.612 10 0 FCAELP CC[NH+](CC)[C@H](CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)c1ccco1 ZINC000631813823 492857708 /nfs/dbraw/zinc/85/77/08/492857708.db2.gz ZSBKPVNNIAJDHS-LSDHHAIUSA-N 2 2 359.492 0.913 10 0 FCAELP CC[NH+](CC)[C@H](CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)c1ccco1 ZINC000631813823 492857710 /nfs/dbraw/zinc/85/77/10/492857710.db2.gz ZSBKPVNNIAJDHS-LSDHHAIUSA-N 2 2 359.492 0.913 10 0 FCAELP NC(=O)CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631887006 492870834 /nfs/dbraw/zinc/87/08/34/492870834.db2.gz NSXMFMNVZNYYNZ-ZWKOTPCHSA-N 2 2 358.486 0.965 10 0 FCAELP NC(=O)CCN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631887006 492870835 /nfs/dbraw/zinc/87/08/35/492870835.db2.gz NSXMFMNVZNYYNZ-ZWKOTPCHSA-N 2 2 358.486 0.965 10 0 FCAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000645184073 492876046 /nfs/dbraw/zinc/87/60/46/492876046.db2.gz OEKHUEAJCGOFDH-OALUTQOASA-N 2 2 359.474 0.900 10 0 FCAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000645184073 492876051 /nfs/dbraw/zinc/87/60/51/492876051.db2.gz OEKHUEAJCGOFDH-OALUTQOASA-N 2 2 359.474 0.900 10 0 FCAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000645184073 492876054 /nfs/dbraw/zinc/87/60/54/492876054.db2.gz OEKHUEAJCGOFDH-OALUTQOASA-N 2 2 359.474 0.900 10 0 FCAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000645184073 492876058 /nfs/dbraw/zinc/87/60/58/492876058.db2.gz OEKHUEAJCGOFDH-OALUTQOASA-N 2 2 359.474 0.900 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](Nc2nc(N)[nH+]c3c2CCCC3)C1=O ZINC000645208400 492878623 /nfs/dbraw/zinc/87/86/23/492878623.db2.gz AQNHIFZOUWNQJM-AWEZNQCLSA-N 2 2 355.446 0.696 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](Nc2nc(N)[nH+]c3c2CCCC3)C1=O ZINC000645208401 492878735 /nfs/dbraw/zinc/87/87/35/492878735.db2.gz AQNHIFZOUWNQJM-CQSZACIVSA-N 2 2 355.446 0.696 10 0 FCAELP C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631917833 492883388 /nfs/dbraw/zinc/88/33/88/492883388.db2.gz PMMGLGOQSVCTOL-MRXNPFEDSA-N 2 2 356.492 0.106 10 0 FCAELP C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631917833 492883392 /nfs/dbraw/zinc/88/33/92/492883392.db2.gz PMMGLGOQSVCTOL-MRXNPFEDSA-N 2 2 356.492 0.106 10 0 FCAELP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000631924321 492886565 /nfs/dbraw/zinc/88/65/65/492886565.db2.gz RXXNHBWTLTYGIT-INIZCTEOSA-N 2 2 360.524 0.102 10 0 FCAELP Cn1cc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(C2CC2)n1 ZINC000658428433 492886685 /nfs/dbraw/zinc/88/66/85/492886685.db2.gz JMSDEHVSYBNHAM-UHFFFAOYSA-N 2 2 350.467 0.236 10 0 FCAELP Cn1cc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(C2CC2)n1 ZINC000658428433 492886688 /nfs/dbraw/zinc/88/66/88/492886688.db2.gz JMSDEHVSYBNHAM-UHFFFAOYSA-N 2 2 350.467 0.236 10 0 FCAELP Cc1cc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc2n[nH]cc21 ZINC000658428878 492886839 /nfs/dbraw/zinc/88/68/39/492886839.db2.gz PCRZYTYEKLIKIX-UHFFFAOYSA-N 2 2 360.462 0.810 10 0 FCAELP Cc1cc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc2n[nH]cc21 ZINC000658428878 492886843 /nfs/dbraw/zinc/88/68/43/492886843.db2.gz PCRZYTYEKLIKIX-UHFFFAOYSA-N 2 2 360.462 0.810 10 0 FCAELP CCn1ncc2ccc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc21 ZINC000658428638 492886851 /nfs/dbraw/zinc/88/68/51/492886851.db2.gz WRBWQFOJUFVEJI-UHFFFAOYSA-N 2 2 374.489 0.994 10 0 FCAELP CCn1ncc2ccc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc21 ZINC000658428638 492886854 /nfs/dbraw/zinc/88/68/54/492886854.db2.gz WRBWQFOJUFVEJI-UHFFFAOYSA-N 2 2 374.489 0.994 10 0 FCAELP Cc1c[nH+]cn1CC(=O)NC[C@H]1CCC[C@@H]1NC(=O)Cn1c[nH+]cc1C ZINC000625814135 492891749 /nfs/dbraw/zinc/89/17/49/492891749.db2.gz RTCOUHHHUMERKT-CVEARBPZSA-N 2 2 358.446 0.798 10 0 FCAELP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC000625814140 492891770 /nfs/dbraw/zinc/89/17/70/492891770.db2.gz RTCOUHHHUMERKT-JKSUJKDBSA-N 2 2 358.446 0.798 10 0 FCAELP C[C@H]1CCC[C@@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)O1 ZINC000658494930 492912881 /nfs/dbraw/zinc/91/28/81/492912881.db2.gz IPMUWMSUPLXWJR-RDJZCZTQSA-N 2 2 368.522 0.545 10 0 FCAELP C[C@H]1CCC[C@@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)O1 ZINC000658494930 492912883 /nfs/dbraw/zinc/91/28/83/492912883.db2.gz IPMUWMSUPLXWJR-RDJZCZTQSA-N 2 2 368.522 0.545 10 0 FCAELP CCO[C@@H]1C[N@H+](CC(=O)NCCCN2CCCCCC2=O)C[C@H]1C[NH3+] ZINC000652357363 492914882 /nfs/dbraw/zinc/91/48/82/492914882.db2.gz LLEXBOLIYBICFH-HZPDHXFCSA-N 2 2 354.495 0.191 10 0 FCAELP CCO[C@@H]1C[N@@H+](CC(=O)NCCCN2CCCCCC2=O)C[C@H]1C[NH3+] ZINC000652357363 492914885 /nfs/dbraw/zinc/91/48/85/492914885.db2.gz LLEXBOLIYBICFH-HZPDHXFCSA-N 2 2 354.495 0.191 10 0 FCAELP CCO[C@@H]1C[N@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C[C@H]1C[NH3+] ZINC000652357944 492915840 /nfs/dbraw/zinc/91/58/40/492915840.db2.gz PWOYOSFZVPEPQX-RHSMWYFYSA-N 2 2 360.458 0.813 10 0 FCAELP CCO[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C[C@H]1C[NH3+] ZINC000652357944 492915843 /nfs/dbraw/zinc/91/58/43/492915843.db2.gz PWOYOSFZVPEPQX-RHSMWYFYSA-N 2 2 360.458 0.813 10 0 FCAELP C[C@@H]1CN(c2ccc(CNC(=O)c3cn(CCC[NH3+])nn3)c[nH+]2)C[C@@H](C)O1 ZINC000645510429 492917314 /nfs/dbraw/zinc/91/73/14/492917314.db2.gz WUGVBQQDESCKMR-ZIAGYGMSSA-N 2 2 373.461 0.566 10 0 FCAELP CC(C)CC[NH+]1CCC(CNS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000632079020 492924969 /nfs/dbraw/zinc/92/49/69/492924969.db2.gz HICDYZNZYWOKQY-KRWDZBQOSA-N 2 2 361.552 0.995 10 0 FCAELP CC(C)CC[NH+]1CCC(CNS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000632079020 492924974 /nfs/dbraw/zinc/92/49/74/492924974.db2.gz HICDYZNZYWOKQY-KRWDZBQOSA-N 2 2 361.552 0.995 10 0 FCAELP CC(C)CC[NH+]1CCC(CNS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CC1 ZINC000632079021 492925209 /nfs/dbraw/zinc/92/52/09/492925209.db2.gz HICDYZNZYWOKQY-QGZVFWFLSA-N 2 2 361.552 0.995 10 0 FCAELP CC(C)CC[NH+]1CCC(CNS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000632079021 492925213 /nfs/dbraw/zinc/92/52/13/492925213.db2.gz HICDYZNZYWOKQY-QGZVFWFLSA-N 2 2 361.552 0.995 10 0 FCAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000652421435 492928207 /nfs/dbraw/zinc/92/82/07/492928207.db2.gz VDHQWFGNWFGMGT-INIZCTEOSA-N 2 2 359.474 0.575 10 0 FCAELP C[C@@H]1C[NH+](CCCCNS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)C[C@@H](C)O1 ZINC000632099393 492928727 /nfs/dbraw/zinc/92/87/27/492928727.db2.gz IZVRFGDUOCSSOL-BZUAXINKSA-N 2 2 363.524 0.126 10 0 FCAELP C[C@@H]1C[NH+](CCCCNS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)C[C@@H](C)O1 ZINC000632099393 492928729 /nfs/dbraw/zinc/92/87/29/492928729.db2.gz IZVRFGDUOCSSOL-BZUAXINKSA-N 2 2 363.524 0.126 10 0 FCAELP C[C@H](NC(=O)[C@H](C)N1CC[NH2+]CC1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638307252 492932241 /nfs/dbraw/zinc/93/22/41/492932241.db2.gz INBQGHQADTZGDN-BQFCYCMXSA-N 2 2 358.486 0.834 10 0 FCAELP C[C@H](NC(=O)[C@H](C)N1CC[NH2+]CC1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638307252 492932245 /nfs/dbraw/zinc/93/22/45/492932245.db2.gz INBQGHQADTZGDN-BQFCYCMXSA-N 2 2 358.486 0.834 10 0 FCAELP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000652452526 492935783 /nfs/dbraw/zinc/93/57/83/492935783.db2.gz YRWPDWSOZCXOJR-KRWDZBQOSA-N 2 2 368.522 0.404 10 0 FCAELP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000652452526 492935785 /nfs/dbraw/zinc/93/57/85/492935785.db2.gz YRWPDWSOZCXOJR-KRWDZBQOSA-N 2 2 368.522 0.404 10 0 FCAELP C[C@H](NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)[C@H](c1ccccc1)[NH+](C)C ZINC000632227598 492953766 /nfs/dbraw/zinc/95/37/66/492953766.db2.gz CMTXZGDTNQLMMD-USXIJHARSA-N 2 2 355.504 0.928 10 0 FCAELP C[C@H](NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)[C@H](c1ccccc1)[NH+](C)C ZINC000632227598 492953762 /nfs/dbraw/zinc/95/37/62/492953762.db2.gz CMTXZGDTNQLMMD-USXIJHARSA-N 2 2 355.504 0.928 10 0 FCAELP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000652689392 492991359 /nfs/dbraw/zinc/99/13/59/492991359.db2.gz UUBPYPQGBMLRIG-GOSISDBHSA-N 2 2 374.485 0.516 10 0 FCAELP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000652689392 492991361 /nfs/dbraw/zinc/99/13/61/492991361.db2.gz UUBPYPQGBMLRIG-GOSISDBHSA-N 2 2 374.485 0.516 10 0 FCAELP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652711255 492997614 /nfs/dbraw/zinc/99/76/14/492997614.db2.gz NSORRYHNTHMNHI-OAHLLOKOSA-N 2 2 359.474 0.532 10 0 FCAELP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)CC1 ZINC000658674819 493003453 /nfs/dbraw/zinc/00/34/53/493003453.db2.gz SYVFWKLYCBVWGT-AWEZNQCLSA-N 2 2 364.515 0.973 10 0 FCAELP CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NS(=O)(=O)CCC[NH+]1CCCC1 ZINC000632503189 493015098 /nfs/dbraw/zinc/01/50/98/493015098.db2.gz XDINIMVXCDLTBJ-JKSUJKDBSA-N 2 2 359.536 0.891 10 0 FCAELP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000626810565 493023571 /nfs/dbraw/zinc/02/35/71/493023571.db2.gz HWUUOWHDLSNCBV-AWEZNQCLSA-N 2 2 369.425 0.857 10 0 FCAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000626889159 493051775 /nfs/dbraw/zinc/05/17/75/493051775.db2.gz ASCLXYUQWKJWON-TZMCWYRMSA-N 2 2 361.446 0.422 10 0 FCAELP COCCOCC[NH+]1CCN(C(=O)c2ccc(C[NH+](C)C)nc2)CC1 ZINC000652997513 493054808 /nfs/dbraw/zinc/05/48/08/493054808.db2.gz BRYPUULOOYVSNP-UHFFFAOYSA-N 2 2 350.463 0.564 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)ccc2[nH+]1 ZINC000658805840 493062820 /nfs/dbraw/zinc/06/28/20/493062820.db2.gz ZVBJMLCIXIYMNE-INIZCTEOSA-N 2 2 371.441 0.951 10 0 FCAELP CN1CC[NH+]([C@H](CNC(=O)NCCOCCC[NH3+])c2cccs2)CC1 ZINC000626921808 493064008 /nfs/dbraw/zinc/06/40/08/493064008.db2.gz IYRLZPKMYGZOHS-OAHLLOKOSA-N 2 2 369.535 0.701 10 0 FCAELP C[NH2+]CCOCCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000626931335 493066549 /nfs/dbraw/zinc/06/65/49/493066549.db2.gz BTVASVBVIZYQAY-GASCZTMLSA-N 2 2 365.478 0.730 10 0 FCAELP [NH3+]CCCOCCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000626937765 493067570 /nfs/dbraw/zinc/06/75/70/493067570.db2.gz YMZZFFSCYCYRCH-KRWDZBQOSA-N 2 2 350.463 0.725 10 0 FCAELP [NH3+]C1(CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CCOCC1 ZINC000626946159 493069107 /nfs/dbraw/zinc/06/91/07/493069107.db2.gz MEKPKOTUHBNVHB-INIZCTEOSA-N 2 2 358.508 0.001 10 0 FCAELP C[C@@H]1CC[C@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[NH2+]1 ZINC000626958747 493070313 /nfs/dbraw/zinc/07/03/13/493070313.db2.gz PNMKENAZRDVGTQ-CVEARBPZSA-N 2 2 374.489 0.560 10 0 FCAELP CCN(C(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000658826105 493072761 /nfs/dbraw/zinc/07/27/61/493072761.db2.gz ONFNSJUOBGARHR-INIZCTEOSA-N 2 2 374.489 0.376 10 0 FCAELP CCN(C(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000658826105 493072764 /nfs/dbraw/zinc/07/27/64/493072764.db2.gz ONFNSJUOBGARHR-INIZCTEOSA-N 2 2 374.489 0.376 10 0 FCAELP CCN(C(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000658826039 493073100 /nfs/dbraw/zinc/07/31/00/493073100.db2.gz MUVMODCRFYGYNF-KRWDZBQOSA-N 2 2 368.522 0.498 10 0 FCAELP CCN(C(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000658826039 493073102 /nfs/dbraw/zinc/07/31/02/493073102.db2.gz MUVMODCRFYGYNF-KRWDZBQOSA-N 2 2 368.522 0.498 10 0 FCAELP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000653119890 493073740 /nfs/dbraw/zinc/07/37/40/493073740.db2.gz ZZZVUUYTFBNUBS-QGZVFWFLSA-N 3 2 361.490 0.730 10 0 FCAELP CC1(CNC(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)CC[NH2+]CC1 ZINC000627083425 493086398 /nfs/dbraw/zinc/08/63/98/493086398.db2.gz HMEDUFPODNBYDC-KRWDZBQOSA-N 2 2 361.490 0.971 10 0 FCAELP CC1(CNC(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)CC[NH2+]CC1 ZINC000627083425 493086404 /nfs/dbraw/zinc/08/64/04/493086404.db2.gz HMEDUFPODNBYDC-KRWDZBQOSA-N 2 2 361.490 0.971 10 0 FCAELP O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000627107035 493088092 /nfs/dbraw/zinc/08/80/92/493088092.db2.gz VOUNJXREELADKM-INDMIFKZSA-N 2 2 373.501 0.970 10 0 FCAELP O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000627107035 493088097 /nfs/dbraw/zinc/08/80/97/493088097.db2.gz VOUNJXREELADKM-INDMIFKZSA-N 2 2 373.501 0.970 10 0 FCAELP C[NH2+]C[C@H]1CCCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)C1 ZINC000627223468 493109911 /nfs/dbraw/zinc/10/99/11/493109911.db2.gz CRZKYQMEDCGJQL-QZTJIDSGSA-N 2 2 361.490 0.923 10 0 FCAELP C[NH2+]C[C@H]1CCCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)C1 ZINC000627223468 493109912 /nfs/dbraw/zinc/10/99/12/493109912.db2.gz CRZKYQMEDCGJQL-QZTJIDSGSA-N 2 2 361.490 0.923 10 0 FCAELP C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)C[C@H]1C[NH3+] ZINC000627225401 493110890 /nfs/dbraw/zinc/11/08/90/493110890.db2.gz XCZZHJQHVHITFE-KBAYOESNSA-N 2 2 361.490 0.909 10 0 FCAELP C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)C[C@H]1C[NH3+] ZINC000627225401 493110893 /nfs/dbraw/zinc/11/08/93/493110893.db2.gz XCZZHJQHVHITFE-KBAYOESNSA-N 2 2 361.490 0.909 10 0 FCAELP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000627225629 493110984 /nfs/dbraw/zinc/11/09/84/493110984.db2.gz YZDSATDPCFUHLA-ROUUACIJSA-N 2 2 361.490 0.922 10 0 FCAELP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000627225629 493110986 /nfs/dbraw/zinc/11/09/86/493110986.db2.gz YZDSATDPCFUHLA-ROUUACIJSA-N 2 2 361.490 0.922 10 0 FCAELP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)CCO1 ZINC000658999471 493123027 /nfs/dbraw/zinc/12/30/27/493123027.db2.gz CBHZPYNNMLSXLF-HNNXBMFYSA-N 2 2 359.430 0.842 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)c1 ZINC000653432640 493135559 /nfs/dbraw/zinc/13/55/59/493135559.db2.gz OYSFDPVNSGCWHU-GOSISDBHSA-N 2 2 369.469 0.464 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)c1 ZINC000653432640 493135561 /nfs/dbraw/zinc/13/55/61/493135561.db2.gz OYSFDPVNSGCWHU-GOSISDBHSA-N 2 2 369.469 0.464 10 0 FCAELP C[C@H]1CC[C@H](NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C[NH2+]1 ZINC000627302965 493142513 /nfs/dbraw/zinc/14/25/13/493142513.db2.gz CATGGKPJJOJGEQ-JSGCOSHPSA-N 2 2 350.488 0.479 10 0 FCAELP C[C@H]1CC[C@H](NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C[NH2+]1 ZINC000627302965 493142517 /nfs/dbraw/zinc/14/25/17/493142517.db2.gz CATGGKPJJOJGEQ-JSGCOSHPSA-N 2 2 350.488 0.479 10 0 FCAELP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)CO1 ZINC000647206141 493177936 /nfs/dbraw/zinc/17/79/36/493177936.db2.gz JBYITCWTIODCHH-OAGGEKHMSA-N 2 2 361.490 0.600 10 0 FCAELP C[C@H]1CC[C@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C[NH2+]1 ZINC000627365615 493181248 /nfs/dbraw/zinc/18/12/48/493181248.db2.gz UMKKNBTWSQWVTK-IRXDYDNUSA-N 2 2 373.501 0.182 10 0 FCAELP Cn1cnnc1N1CC[NH+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000653824069 493186178 /nfs/dbraw/zinc/18/61/78/493186178.db2.gz SBRMNCIREWWZJK-QGZVFWFLSA-N 2 2 371.489 0.356 10 0 FCAELP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000659478253 493190508 /nfs/dbraw/zinc/19/05/08/493190508.db2.gz BTOGFQWEAWCXJG-KGLIPLIRSA-N 2 2 350.467 0.584 10 0 FCAELP Cc1cc(NCCNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)nc(C(C)C)[nH+]1 ZINC000627404999 493205334 /nfs/dbraw/zinc/20/53/34/493205334.db2.gz SBSVLTSUXLAADC-ZIAGYGMSSA-N 2 2 362.478 0.823 10 0 FCAELP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000672594165 493212331 /nfs/dbraw/zinc/21/23/31/493212331.db2.gz LTAJIZLHQAXUIY-IXDOHACOSA-N 2 2 366.506 0.299 10 0 FCAELP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC[N@H+]1C ZINC000672594165 493212337 /nfs/dbraw/zinc/21/23/37/493212337.db2.gz LTAJIZLHQAXUIY-IXDOHACOSA-N 2 2 366.506 0.299 10 0 FCAELP O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659691307 493256008 /nfs/dbraw/zinc/25/60/08/493256008.db2.gz GXMOLPWHGXDFGA-UHFFFAOYSA-N 2 2 371.485 0.946 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N3C[C@@H](O)CC(F)(F)C3)CC2)CC1 ZINC000682449335 493300713 /nfs/dbraw/zinc/30/07/13/493300713.db2.gz USNGKQLIFHOZLD-HNNXBMFYSA-N 2 2 360.449 0.957 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)CC2 ZINC000673427965 493327404 /nfs/dbraw/zinc/32/74/04/493327404.db2.gz QLKDQJIBPDCWQP-OAHLLOKOSA-N 2 2 363.462 0.151 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)CC2 ZINC000673427965 493327406 /nfs/dbraw/zinc/32/74/06/493327406.db2.gz QLKDQJIBPDCWQP-OAHLLOKOSA-N 2 2 363.462 0.151 10 0 FCAELP C[C@@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)c1[nH+]ccn1C ZINC000660624656 493367646 /nfs/dbraw/zinc/36/76/46/493367646.db2.gz DYUCWEXDBAEPHY-CYBMUJFWSA-N 2 2 350.467 0.723 10 0 FCAELP C[C@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)c1[nH+]ccn1C ZINC000660624657 493367851 /nfs/dbraw/zinc/36/78/51/493367851.db2.gz DYUCWEXDBAEPHY-ZDUSSCGKSA-N 2 2 350.467 0.723 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)Nc1ccn(C3CC[NH+](C)CC3)n1)CC2 ZINC000683873294 493375315 /nfs/dbraw/zinc/37/53/15/493375315.db2.gz NZKVKZGKEGJNQV-UHFFFAOYSA-N 2 2 371.445 0.636 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000684029238 493388814 /nfs/dbraw/zinc/38/88/14/493388814.db2.gz FYKXMRFSWJJDAN-CQSZACIVSA-N 2 2 372.429 0.385 10 0 FCAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661143811 493411825 /nfs/dbraw/zinc/41/18/25/493411825.db2.gz WGONZPVRWBEFMG-IAGOWNOFSA-N 2 2 369.473 0.732 10 0 FCAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661143811 493411826 /nfs/dbraw/zinc/41/18/26/493411826.db2.gz WGONZPVRWBEFMG-IAGOWNOFSA-N 2 2 369.473 0.732 10 0 FCAELP CC[NH+]1CCC(NC(=O)C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)CC1 ZINC000684627699 493423882 /nfs/dbraw/zinc/42/38/82/493423882.db2.gz GMZDNYXNTFKQES-UHFFFAOYSA-N 3 2 361.490 0.813 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(OCCCO)CC2)C1 ZINC000674913274 493458981 /nfs/dbraw/zinc/45/89/81/493458981.db2.gz DZUMJSCUAIYNPB-SFHVURJKSA-N 2 2 371.522 0.323 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(OCCCO)CC2)C1 ZINC000674913274 493458982 /nfs/dbraw/zinc/45/89/82/493458982.db2.gz DZUMJSCUAIYNPB-SFHVURJKSA-N 2 2 371.522 0.323 10 0 FCAELP C[C@@H]1CN(c2ccc(CNC(=O)NC[C@@H]3C[NH2+]CCO3)c[nH+]2)C[C@@H](C)O1 ZINC000669162120 493471242 /nfs/dbraw/zinc/47/12/42/493471242.db2.gz FHJROOSQKSMSPP-FMKPAKJESA-N 2 2 363.462 0.483 10 0 FCAELP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000669198363 493475478 /nfs/dbraw/zinc/47/54/78/493475478.db2.gz OEIRMMMXFMSSAG-CABCVRRESA-N 2 2 359.474 0.766 10 0 FCAELP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000669198363 493475480 /nfs/dbraw/zinc/47/54/80/493475480.db2.gz OEIRMMMXFMSSAG-CABCVRRESA-N 2 2 359.474 0.766 10 0 FCAELP C[N@@H+]1CCCC[C@H]1CN1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000675720606 493499548 /nfs/dbraw/zinc/49/95/48/493499548.db2.gz DEAOBHXTHKGHLD-KRWDZBQOSA-N 2 2 360.506 0.920 10 0 FCAELP C[N@H+]1CCCC[C@H]1CN1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000675720606 493499549 /nfs/dbraw/zinc/49/95/49/493499549.db2.gz DEAOBHXTHKGHLD-KRWDZBQOSA-N 2 2 360.506 0.920 10 0 FCAELP CC[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cccc2c1CC[NH2+]C2 ZINC000662250115 493499998 /nfs/dbraw/zinc/49/99/98/493499998.db2.gz YGQQTAQSYGPGFS-INIZCTEOSA-N 2 2 365.499 0.458 10 0 FCAELP CC[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cccc2c1CC[NH2+]C2 ZINC000662250115 493500001 /nfs/dbraw/zinc/50/00/01/493500001.db2.gz YGQQTAQSYGPGFS-INIZCTEOSA-N 2 2 365.499 0.458 10 0 FCAELP [NH3+]C/C=C\CNC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000669479391 493506528 /nfs/dbraw/zinc/50/65/28/493506528.db2.gz PMRHSGDKZZGPPQ-PLNGDYQASA-N 2 2 351.495 0.525 10 0 FCAELP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCO1 ZINC000669502156 493508208 /nfs/dbraw/zinc/50/82/08/493508208.db2.gz IIJFIRAWCTUWJK-SJORKVTESA-N 3 2 367.538 0.694 10 0 FCAELP Cn1cc[nH+]c1CN1CCN(C(=O)c2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000662448018 493516156 /nfs/dbraw/zinc/51/61/56/493516156.db2.gz DSMMPYRWHMWKKT-UHFFFAOYSA-N 2 2 358.446 0.833 10 0 FCAELP C[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CCO1 ZINC000676094490 493523393 /nfs/dbraw/zinc/52/33/93/493523393.db2.gz ZFRSFOVXLQFODG-ZDUSSCGKSA-N 2 2 358.402 0.043 10 0 FCAELP C[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CCO1 ZINC000676094490 493523396 /nfs/dbraw/zinc/52/33/96/493523396.db2.gz ZFRSFOVXLQFODG-ZDUSSCGKSA-N 2 2 358.402 0.043 10 0 FCAELP C[NH2+]CCCC(=O)N1CCC(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000662743730 493535782 /nfs/dbraw/zinc/53/57/82/493535782.db2.gz TVHKNQHSUQODCF-UHFFFAOYSA-N 2 2 370.457 0.988 10 0 FCAELP Cn1ccnc1C[NH+]1CCC(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000676342209 493546152 /nfs/dbraw/zinc/54/61/52/493546152.db2.gz ZFUBMEFWJVYXHS-QGZVFWFLSA-N 2 2 361.490 0.565 10 0 FCAELP O=C(c1cnnn1C1CC[NH2+]CC1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662909800 493552014 /nfs/dbraw/zinc/55/20/14/493552014.db2.gz JLPVBJMOQRUCAV-UHFFFAOYSA-N 2 2 362.478 0.387 10 0 FCAELP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662939679 493557081 /nfs/dbraw/zinc/55/70/81/493557081.db2.gz HCMNODSCUJFVTL-BPLDGKMQSA-N 2 2 368.478 0.851 10 0 FCAELP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC[C@H]1F ZINC000662940323 493557145 /nfs/dbraw/zinc/55/71/45/493557145.db2.gz UVAGBQYYVOVGIG-HZPDHXFCSA-N 2 2 365.453 0.800 10 0 FCAELP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662939680 493557162 /nfs/dbraw/zinc/55/71/62/493557162.db2.gz HCMNODSCUJFVTL-NWANDNLSSA-N 2 2 368.478 0.851 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000662945825 493559029 /nfs/dbraw/zinc/55/90/29/493559029.db2.gz JGKSUQTXCGVMGH-USXIJHARSA-N 2 2 362.449 0.617 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000662945825 493559031 /nfs/dbraw/zinc/55/90/31/493559031.db2.gz JGKSUQTXCGVMGH-USXIJHARSA-N 2 2 362.449 0.617 10 0 FCAELP O=C(NCCC[NH+]1CCOCC1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000663402744 493587052 /nfs/dbraw/zinc/58/70/52/493587052.db2.gz DOFLFWGAWMJEIC-IAGOWNOFSA-N 2 2 366.506 0.651 10 0 FCAELP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000670732254 493592306 /nfs/dbraw/zinc/59/23/06/493592306.db2.gz KIFGMYIOKUADQG-HZPDHXFCSA-N 2 2 373.432 0.975 10 0 FCAELP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000670732254 493592308 /nfs/dbraw/zinc/59/23/08/493592308.db2.gz KIFGMYIOKUADQG-HZPDHXFCSA-N 2 2 373.432 0.975 10 0 FCAELP CCC(CC)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000670819801 493600826 /nfs/dbraw/zinc/60/08/26/493600826.db2.gz MQVJLUKKONEYOW-SJORKVTESA-N 2 2 368.522 0.450 10 0 FCAELP CCC(CC)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000670819801 493600829 /nfs/dbraw/zinc/60/08/29/493600829.db2.gz MQVJLUKKONEYOW-SJORKVTESA-N 2 2 368.522 0.450 10 0 FCAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC(OCCCO)CC2)CC1 ZINC000677577374 493609366 /nfs/dbraw/zinc/60/93/66/493609366.db2.gz GEMGPPQARFOJTD-UHFFFAOYSA-N 2 2 356.511 0.585 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000663676375 493611460 /nfs/dbraw/zinc/61/14/60/493611460.db2.gz KBMZIARFYMMLDB-UHFFFAOYSA-N 2 2 370.519 0.773 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000663676375 493611463 /nfs/dbraw/zinc/61/14/63/493611463.db2.gz KBMZIARFYMMLDB-UHFFFAOYSA-N 2 2 370.519 0.773 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000670999348 493622457 /nfs/dbraw/zinc/62/24/57/493622457.db2.gz GQGHQCOUFYKHNA-DLBZAZTESA-N 2 2 366.506 0.300 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000664058754 493633179 /nfs/dbraw/zinc/63/31/79/493633179.db2.gz BHNYAUXVLISWIK-KRWDZBQOSA-N 2 2 361.490 0.975 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000664058754 493633181 /nfs/dbraw/zinc/63/31/81/493633181.db2.gz BHNYAUXVLISWIK-KRWDZBQOSA-N 2 2 361.490 0.975 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@H](Cn4ccnn4)C3)C2)CC1 ZINC000664131086 493638440 /nfs/dbraw/zinc/63/84/40/493638440.db2.gz WCCRIDCLSHYWQP-HOTGVXAUSA-N 2 2 361.494 0.478 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@H](Cn4ccnn4)C3)C2)CC1 ZINC000664131086 493638441 /nfs/dbraw/zinc/63/84/41/493638441.db2.gz WCCRIDCLSHYWQP-HOTGVXAUSA-N 2 2 361.494 0.478 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000671180478 493647080 /nfs/dbraw/zinc/64/70/80/493647080.db2.gz HIWOGQMOGDVTAQ-IRXDYDNUSA-N 2 2 371.485 0.782 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000671180478 493647082 /nfs/dbraw/zinc/64/70/82/493647082.db2.gz HIWOGQMOGDVTAQ-IRXDYDNUSA-N 2 2 371.485 0.782 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000664473008 493661972 /nfs/dbraw/zinc/66/19/72/493661972.db2.gz JMQDQCSVIPGXIP-MSOLQXFVSA-N 3 2 369.554 0.547 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000664473008 493661974 /nfs/dbraw/zinc/66/19/74/493661974.db2.gz JMQDQCSVIPGXIP-MSOLQXFVSA-N 3 2 369.554 0.547 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CCOC2(CCOCC2)C1 ZINC000664483402 493662311 /nfs/dbraw/zinc/66/23/11/493662311.db2.gz XMIBDBLSYNOAPC-INIZCTEOSA-N 2 2 356.511 0.897 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CCOC2(CCOCC2)C1 ZINC000664483402 493662313 /nfs/dbraw/zinc/66/23/13/493662313.db2.gz XMIBDBLSYNOAPC-INIZCTEOSA-N 2 2 356.511 0.897 10 0 FCAELP CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000664540047 493666570 /nfs/dbraw/zinc/66/65/70/493666570.db2.gz TXYBTUIIBHGREP-MRXNPFEDSA-N 2 2 368.526 0.410 10 0 FCAELP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000671405653 493666994 /nfs/dbraw/zinc/66/69/94/493666994.db2.gz WGYYUNNEGXDCBA-CQSZACIVSA-N 2 2 359.405 0.838 10 0 FCAELP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000671405653 493666995 /nfs/dbraw/zinc/66/69/95/493666995.db2.gz WGYYUNNEGXDCBA-CQSZACIVSA-N 2 2 359.405 0.838 10 0 FCAELP CN1CCN(c2cc(N3CCO[C@@H](CCC[NH+](C)C)C3)[nH+]cn2)CC1=O ZINC000664657392 493675405 /nfs/dbraw/zinc/67/54/05/493675405.db2.gz LDOZZBZVJDISRU-HNNXBMFYSA-N 2 2 362.478 0.302 10 0 FCAELP CN1CCN(c2cc(N3CCO[C@@H](CCC[NH+](C)C)C3)nc[nH+]2)CC1=O ZINC000664657392 493675411 /nfs/dbraw/zinc/67/54/11/493675411.db2.gz LDOZZBZVJDISRU-HNNXBMFYSA-N 2 2 362.478 0.302 10 0 FCAELP O=C(C[N@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O)NC1CC[NH+](C2CC2)CC1 ZINC000671532318 493682076 /nfs/dbraw/zinc/68/20/76/493682076.db2.gz LNYHJLRZTCIKCX-IPMKNSEASA-N 2 2 365.518 0.981 10 0 FCAELP O=C(C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O)NC1CC[NH+](C2CC2)CC1 ZINC000671532318 493682078 /nfs/dbraw/zinc/68/20/78/493682078.db2.gz LNYHJLRZTCIKCX-IPMKNSEASA-N 2 2 365.518 0.981 10 0 FCAELP CN(C(=O)C1(N2CCOCC2)CCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000679887832 493699181 /nfs/dbraw/zinc/69/91/81/493699181.db2.gz QWJGJVJWQXJEIS-GOSISDBHSA-N 2 2 364.534 0.868 10 0 FCAELP CN(C(=O)C1(N2CCOCC2)CCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000679887832 493699182 /nfs/dbraw/zinc/69/91/82/493699182.db2.gz QWJGJVJWQXJEIS-GOSISDBHSA-N 2 2 364.534 0.868 10 0 FCAELP COCCOCC[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000665356160 493712095 /nfs/dbraw/zinc/71/20/95/493712095.db2.gz IXXXJSHCCNVBGS-MRXNPFEDSA-N 2 2 356.511 0.849 10 0 FCAELP COCCOCC[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000665356160 493712097 /nfs/dbraw/zinc/71/20/97/493712097.db2.gz IXXXJSHCCNVBGS-MRXNPFEDSA-N 2 2 356.511 0.849 10 0 FCAELP C[NH+]1CCC(CC(=O)N2CC[NH+](CC(=O)N3CCCCC3)CC2)CC1 ZINC000680357396 493714778 /nfs/dbraw/zinc/71/47/78/493714778.db2.gz PELNPMNWJASBNA-UHFFFAOYSA-N 2 2 350.507 0.875 10 0 FCAELP CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)C(=O)N1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000672085302 493734455 /nfs/dbraw/zinc/73/44/55/493734455.db2.gz QMRQPKHPYKSQED-GJZGRUSLSA-N 2 2 373.501 0.918 10 0 FCAELP CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)C(=O)N1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000672085302 493734459 /nfs/dbraw/zinc/73/44/59/493734459.db2.gz QMRQPKHPYKSQED-GJZGRUSLSA-N 2 2 373.501 0.918 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@@H](C)[NH+](CCO)C[C@@H]1C ZINC000665763484 493734892 /nfs/dbraw/zinc/73/48/92/493734892.db2.gz BZHMHJVJKTWIQV-BBWFWOEESA-N 3 2 357.543 0.355 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@@H](C)[NH+](CCO)C[C@@H]1C ZINC000665763484 493734895 /nfs/dbraw/zinc/73/48/95/493734895.db2.gz BZHMHJVJKTWIQV-BBWFWOEESA-N 3 2 357.543 0.355 10 0 FCAELP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000665763484 493734897 /nfs/dbraw/zinc/73/48/97/493734897.db2.gz BZHMHJVJKTWIQV-BBWFWOEESA-N 3 2 357.543 0.355 10 0 FCAELP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000665763484 493734900 /nfs/dbraw/zinc/73/49/00/493734900.db2.gz BZHMHJVJKTWIQV-BBWFWOEESA-N 3 2 357.543 0.355 10 0 FCAELP C[C@@H](O)[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCO[C@H]([C@H](C)O)C3)cc2)CCO1 ZINC000412098928 533857153 /nfs/dbraw/zinc/85/71/53/533857153.db2.gz USZQGEBKOGCETM-NFQUHZNNSA-N 2 2 364.486 0.850 10 0 FCAELP C[C@@H](O)[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCO[C@H]([C@H](C)O)C3)cc2)CCO1 ZINC000412098928 533857161 /nfs/dbraw/zinc/85/71/61/533857161.db2.gz USZQGEBKOGCETM-NFQUHZNNSA-N 2 2 364.486 0.850 10 0 FCAELP C[C@@H](O)[C@H]1C[NH+](Cc2ccc(C[N@@H+]3CCO[C@H]([C@H](C)O)C3)cc2)CCO1 ZINC000412098928 533857167 /nfs/dbraw/zinc/85/71/67/533857167.db2.gz USZQGEBKOGCETM-NFQUHZNNSA-N 2 2 364.486 0.850 10 0 FCAELP C[C@@H](O)[C@H]1C[NH+](Cc2ccc(C[N@H+]3CCO[C@H]([C@H](C)O)C3)cc2)CCO1 ZINC000412098928 533857172 /nfs/dbraw/zinc/85/71/72/533857172.db2.gz USZQGEBKOGCETM-NFQUHZNNSA-N 2 2 364.486 0.850 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC000410437519 534423292 /nfs/dbraw/zinc/42/32/92/534423292.db2.gz STJFPZRJVKFENU-UHFFFAOYSA-N 2 2 359.474 0.593 10 0 FCAELP CC(C)[C@H]1CC[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000438483391 535198534 /nfs/dbraw/zinc/19/85/34/535198534.db2.gz NCDPAPBASMWWFM-HNNXBMFYSA-N 2 2 371.489 0.990 10 0 FCAELP CC(C)[C@H]1CC[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000438483391 535198537 /nfs/dbraw/zinc/19/85/37/535198537.db2.gz NCDPAPBASMWWFM-HNNXBMFYSA-N 2 2 371.489 0.990 10 0 FCAELP CCN1CC[NH+](CCCCNC(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)CC1 ZINC000419430600 535689229 /nfs/dbraw/zinc/68/92/29/535689229.db2.gz WBQNEGFEXOVAFV-ZWKOTPCHSA-N 2 2 369.554 0.501 10 0 FCAELP CCN1CC[NH+](CCCCNC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)CC1 ZINC000419430600 535689231 /nfs/dbraw/zinc/68/92/31/535689231.db2.gz WBQNEGFEXOVAFV-ZWKOTPCHSA-N 2 2 369.554 0.501 10 0 FCAELP CC[NH+]1CCN(CCCCNC(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)CC1 ZINC000419430600 535689233 /nfs/dbraw/zinc/68/92/33/535689233.db2.gz WBQNEGFEXOVAFV-ZWKOTPCHSA-N 2 2 369.554 0.501 10 0 FCAELP CC[NH+]1CCN(CCCCNC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)CC1 ZINC000419430600 535689234 /nfs/dbraw/zinc/68/92/34/535689234.db2.gz WBQNEGFEXOVAFV-ZWKOTPCHSA-N 2 2 369.554 0.501 10 0 FCAELP COc1cc(N2CCC3(CC2)[C@H](O)C[C@@H]3OCC[NH+](C)C)nc(N)[nH+]1 ZINC000091873295 536824964 /nfs/dbraw/zinc/82/49/64/536824964.db2.gz XZYOZEUYHFSUMK-OLZOCXBDSA-N 2 2 351.451 0.365 10 0 FCAELP COc1cc(N2CCC3(CC2)[C@H](O)C[C@@H]3OCC[NH+](C)C)[nH+]c(N)n1 ZINC000091873295 536824971 /nfs/dbraw/zinc/82/49/71/536824971.db2.gz XZYOZEUYHFSUMK-OLZOCXBDSA-N 2 2 351.451 0.365 10 0 FCAELP COC(=O)c1csc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000594820842 546835267 /nfs/dbraw/zinc/83/52/67/546835267.db2.gz ILQLKLHXXQJJHU-UHFFFAOYSA-N 2 2 363.505 0.697 10 0 FCAELP COC(=O)c1csc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000594820842 546835272 /nfs/dbraw/zinc/83/52/72/546835272.db2.gz ILQLKLHXXQJJHU-UHFFFAOYSA-N 2 2 363.505 0.697 10 0 FCAELP C[C@H](NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000152361852 546916286 /nfs/dbraw/zinc/91/62/86/546916286.db2.gz HYUMNYPOHGNEPZ-BBWFWOEESA-N 2 2 354.495 0.602 10 0 FCAELP C[C@H](NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000152361852 546916292 /nfs/dbraw/zinc/91/62/92/546916292.db2.gz HYUMNYPOHGNEPZ-BBWFWOEESA-N 2 2 354.495 0.602 10 0 FCAELP C[NH+](C)C[C@H](Cc1ccccc1)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000545913356 547035848 /nfs/dbraw/zinc/03/58/48/547035848.db2.gz HZCIUSBYPXRUEF-SFHVURJKSA-N 2 2 369.531 0.801 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000551034095 547121340 /nfs/dbraw/zinc/12/13/40/547121340.db2.gz JWAKMIWZSZYQGN-PMPSAXMXSA-N 2 2 354.495 0.202 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000551076943 547124641 /nfs/dbraw/zinc/12/46/41/547124641.db2.gz MWJJCGAGRKVJFS-FHERZECASA-N 2 2 354.495 0.060 10 0 FCAELP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000897898720 665780089 /nfs/dbraw/zinc/78/00/89/665780089.db2.gz QPDAHWDIRMVJRK-INIZCTEOSA-N 2 2 350.438 0.584 10 0 FCAELP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000897898720 665780091 /nfs/dbraw/zinc/78/00/91/665780091.db2.gz QPDAHWDIRMVJRK-INIZCTEOSA-N 2 2 350.438 0.584 10 0 FCAELP CC[NH+]1CC[C@H]1CNC(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000897898720 665780094 /nfs/dbraw/zinc/78/00/94/665780094.db2.gz QPDAHWDIRMVJRK-INIZCTEOSA-N 2 2 350.438 0.584 10 0 FCAELP CC[NH+]1CC[C@H]1CNC(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000897898720 665780096 /nfs/dbraw/zinc/78/00/96/665780096.db2.gz QPDAHWDIRMVJRK-INIZCTEOSA-N 2 2 350.438 0.584 10 0 FCAELP C[N@@H+]1C[C@@H]2C[NH+](C[C@H](O)C3(S(=O)(=O)NC(C)(C)C)CCC3)C[C@]2(C)C1 ZINC000933733381 663438291 /nfs/dbraw/zinc/43/82/91/663438291.db2.gz RSVMTYQVQUDPIL-VYDXJSESSA-N 2 2 373.563 0.871 10 0 FCAELP C[N@H+]1C[C@@H]2C[NH+](C[C@H](O)C3(S(=O)(=O)NC(C)(C)C)CCC3)C[C@]2(C)C1 ZINC000933733381 663438294 /nfs/dbraw/zinc/43/82/94/663438294.db2.gz RSVMTYQVQUDPIL-VYDXJSESSA-N 2 2 373.563 0.871 10 0 FCAELP C[NH+]1C[C@@H]2C[N@H+](C[C@H](O)C3(S(=O)(=O)NC(C)(C)C)CCC3)C[C@]2(C)C1 ZINC000933733381 663438297 /nfs/dbraw/zinc/43/82/97/663438297.db2.gz RSVMTYQVQUDPIL-VYDXJSESSA-N 2 2 373.563 0.871 10 0 FCAELP Cc1cc(CCNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)nn1C ZINC000926373881 663488290 /nfs/dbraw/zinc/48/82/90/663488290.db2.gz ZUMFBSYVXXOLGZ-UHFFFAOYSA-N 2 2 350.511 0.938 10 0 FCAELP Cc1cc(CCNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nn1C ZINC000926373881 663488293 /nfs/dbraw/zinc/48/82/93/663488293.db2.gz ZUMFBSYVXXOLGZ-UHFFFAOYSA-N 2 2 350.511 0.938 10 0 FCAELP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000931661746 664468976 /nfs/dbraw/zinc/46/89/76/664468976.db2.gz SSVYOXKTAYOWEL-CYBMUJFWSA-N 2 2 353.492 0.421 10 0 FCAELP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000931661746 664468977 /nfs/dbraw/zinc/46/89/77/664468977.db2.gz SSVYOXKTAYOWEL-CYBMUJFWSA-N 2 2 353.492 0.421 10 0 FCAELP COC(=O)[C@H]1[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C1(F)F ZINC000894752108 664979552 /nfs/dbraw/zinc/97/95/52/664979552.db2.gz HRHRWIBPRADJMC-OBLWBZKUSA-N 2 2 359.417 0.714 10 0 FCAELP COC(=O)[C@H]1[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1(F)F ZINC000894752108 664979553 /nfs/dbraw/zinc/97/95/53/664979553.db2.gz HRHRWIBPRADJMC-OBLWBZKUSA-N 2 2 359.417 0.714 10 0 FCAELP CC1(C)CN(C(=O)N[C@@H]2CCC[NH+]3CCSC[C@H]23)CC[N@@H+]1CCO ZINC000925163087 665175828 /nfs/dbraw/zinc/17/58/28/665175828.db2.gz ZVNGILYBNIYUCQ-HUUCEWRRSA-N 2 2 356.536 0.664 10 0 FCAELP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000925174175 665178223 /nfs/dbraw/zinc/17/82/23/665178223.db2.gz ONBRRLFJGVURBF-QKPAOTATSA-N 2 2 354.520 0.729 10 0 FCAELP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000925174175 665178224 /nfs/dbraw/zinc/17/82/24/665178224.db2.gz ONBRRLFJGVURBF-QKPAOTATSA-N 2 2 354.520 0.729 10 0 FCAELP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925174175 665178225 /nfs/dbraw/zinc/17/82/25/665178225.db2.gz ONBRRLFJGVURBF-QKPAOTATSA-N 2 2 354.520 0.729 10 0 FCAELP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000925174175 665178226 /nfs/dbraw/zinc/17/82/26/665178226.db2.gz ONBRRLFJGVURBF-QKPAOTATSA-N 2 2 354.520 0.729 10 0 FCAELP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000897382676 665218938 /nfs/dbraw/zinc/21/89/38/665218938.db2.gz KUSXGDTVNDMSSD-SOUVJXGZSA-N 2 2 354.495 0.201 10 0 FCAELP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000897382676 665218940 /nfs/dbraw/zinc/21/89/40/665218940.db2.gz KUSXGDTVNDMSSD-SOUVJXGZSA-N 2 2 354.495 0.201 10 0 FCAELP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCc2sccc2C1 ZINC000897536391 665312742 /nfs/dbraw/zinc/31/27/42/665312742.db2.gz UKRCITTVXFUIKY-CQSZACIVSA-N 2 2 350.488 0.433 10 0 FCAELP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCc2sccc2C1 ZINC000897536391 665312746 /nfs/dbraw/zinc/31/27/46/665312746.db2.gz UKRCITTVXFUIKY-CQSZACIVSA-N 2 2 350.488 0.433 10 0 FCAELP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000897536391 665312751 /nfs/dbraw/zinc/31/27/51/665312751.db2.gz UKRCITTVXFUIKY-CQSZACIVSA-N 2 2 350.488 0.433 10 0 FCAELP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000897536391 665312758 /nfs/dbraw/zinc/31/27/58/665312758.db2.gz UKRCITTVXFUIKY-CQSZACIVSA-N 2 2 350.488 0.433 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1nnn(C)c1C(F)(F)F ZINC000906677661 666062234 /nfs/dbraw/zinc/06/22/34/666062234.db2.gz NYEBCHWMJVMGKX-UHFFFAOYSA-N 2 2 362.400 0.932 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1nnn(C)c1C(F)(F)F ZINC000906677661 666062237 /nfs/dbraw/zinc/06/22/37/666062237.db2.gz NYEBCHWMJVMGKX-UHFFFAOYSA-N 2 2 362.400 0.932 10 0 FCAELP C[NH+]1CCC(CNC(=O)CCCS(N)(=O)=O)([NH+]2CCCCC2)CC1 ZINC000906824572 666072799 /nfs/dbraw/zinc/07/27/99/666072799.db2.gz USEXPFSIILECMI-UHFFFAOYSA-N 2 2 360.524 0.122 10 0 FCAELP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CC(C[NH+]3CCOCC3)C2)C1 ZINC000908334110 666201340 /nfs/dbraw/zinc/20/13/40/666201340.db2.gz IAMUFHKRCDOSFJ-INIZCTEOSA-N 2 2 353.463 0.052 10 0 FCAELP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC(C[NH+]3CCOCC3)C2)C1 ZINC000908334110 666201343 /nfs/dbraw/zinc/20/13/43/666201343.db2.gz IAMUFHKRCDOSFJ-INIZCTEOSA-N 2 2 353.463 0.052 10 0 FCAELP CC(C)[NH+]1CCN(CCCC(=O)NC2CC([NH+]3CCOCC3)C2)CC1 ZINC000911562121 666366409 /nfs/dbraw/zinc/36/64/09/666366409.db2.gz YOPOIMHRODNQOF-UHFFFAOYSA-N 2 2 352.523 0.772 10 0 FCAELP CN(C)CC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000914017346 666683517 /nfs/dbraw/zinc/68/35/17/666683517.db2.gz XKGWYCGZTMSTAT-DLBZAZTESA-N 2 2 369.579 0.891 10 0 FCAELP CN(C)CC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000914017346 666683519 /nfs/dbraw/zinc/68/35/19/666683519.db2.gz XKGWYCGZTMSTAT-DLBZAZTESA-N 2 2 369.579 0.891 10 0 FCAELP COCC[N@@H+]1CCN(S(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)C(C)(C)C1 ZINC000916721765 667025590 /nfs/dbraw/zinc/02/55/90/667025590.db2.gz CYSGCUWXNUGPMT-KRWDZBQOSA-N 2 2 359.536 0.845 10 0 FCAELP COCC[N@H+]1CCN(S(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)C(C)(C)C1 ZINC000916721765 667025592 /nfs/dbraw/zinc/02/55/92/667025592.db2.gz CYSGCUWXNUGPMT-KRWDZBQOSA-N 2 2 359.536 0.845 10 0 FCAELP COCC[NH+]1CCN(S(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)C(C)(C)C1 ZINC000916721765 667025599 /nfs/dbraw/zinc/02/55/99/667025599.db2.gz CYSGCUWXNUGPMT-KRWDZBQOSA-N 2 2 359.536 0.845 10 0 FCAELP CCO[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C[NH+](C)C ZINC000918906410 667140357 /nfs/dbraw/zinc/14/03/57/667140357.db2.gz OBZKDYWOCYSDPW-DOTOQJQBSA-N 3 2 355.527 0.421 10 0 FCAELP CCO[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C[NH+](C)C ZINC000918906410 667140359 /nfs/dbraw/zinc/14/03/59/667140359.db2.gz OBZKDYWOCYSDPW-DOTOQJQBSA-N 3 2 355.527 0.421 10 0 FCAELP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000923370023 667828375 /nfs/dbraw/zinc/82/83/75/667828375.db2.gz 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CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@@H](OC(=O)N(C)C)C2)C1 ZINC000830486938 1222475153 /nfs/dbraw/zinc/47/51/53/1222475153.db2.gz LABIDNKTBJAGFD-CVEARBPZSA-N 2 2 370.494 0.232 10 0 FCAELP [NH3+][C@]1(CO)CCC[N@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000923478228 1245723579 /nfs/dbraw/zinc/72/35/79/1245723579.db2.gz PGVHRYQXQLJQRF-LJQANCHMSA-N 2 2 362.474 0.637 10 0 FCAELP [NH3+][C@]1(CO)CCC[N@@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000923478228 1245723586 /nfs/dbraw/zinc/72/35/86/1245723586.db2.gz PGVHRYQXQLJQRF-LJQANCHMSA-N 2 2 362.474 0.637 10 0 FCAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC2(CC1)C[C@@H](O)CNC2=O ZINC000932839328 1245744049 /nfs/dbraw/zinc/74/40/49/1245744049.db2.gz KWJZLFFWPFIOGM-MSOLQXFVSA-N 2 2 361.486 0.442 10 0 FCAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC2(CC1)C[C@@H](O)CNC2=O ZINC000932839328 1245744051 /nfs/dbraw/zinc/74/40/51/1245744051.db2.gz KWJZLFFWPFIOGM-MSOLQXFVSA-N 2 2 361.486 0.442 10 0 FCAELP 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C[N@@H+](CCNC(=O)C1CC1)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001317373962 1263507877 /nfs/dbraw/zinc/50/78/77/1263507877.db2.gz BKVVAPNIRHHGRC-ARFHVFGLSA-N 2 2 359.474 0.962 10 0 FCAELP CN(C[C@@H](O)C[NH2+]Cc1cncc(F)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001486302819 1263530765 /nfs/dbraw/zinc/53/07/65/1263530765.db2.gz XGYFZEKLAOCXLJ-ARFHVFGLSA-N 2 2 361.421 0.667 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH+](C)Cc2ccn(C)n2)CC[N@@H+]1C ZINC001486338034 1263533579 /nfs/dbraw/zinc/53/35/79/1263533579.db2.gz QXUVGNXOOVPUPY-IXDOHACOSA-N 2 2 351.495 0.402 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH+](C)Cc2ccn(C)n2)CC[N@H+]1C ZINC001486338034 1263533584 /nfs/dbraw/zinc/53/35/84/1263533584.db2.gz QXUVGNXOOVPUPY-IXDOHACOSA-N 2 2 351.495 0.402 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[N@H+](C)Cc2ccn(C)n2)CC[NH+]1C ZINC001486338034 1263533588 /nfs/dbraw/zinc/53/35/88/1263533588.db2.gz QXUVGNXOOVPUPY-IXDOHACOSA-N 2 2 351.495 0.402 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)Cc2ccn(C)n2)CC[NH+]1C ZINC001486338034 1263533592 /nfs/dbraw/zinc/53/35/92/1263533592.db2.gz QXUVGNXOOVPUPY-IXDOHACOSA-N 2 2 351.495 0.402 10 0 FCAELP COC[C@@H](O)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001486437550 1263538216 /nfs/dbraw/zinc/53/82/16/1263538216.db2.gz ACUYVCOXFOWROG-SLBVQIDZSA-N 2 2 350.463 0.737 10 0 FCAELP COC[C@@H](O)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001486437550 1263538222 /nfs/dbraw/zinc/53/82/22/1263538222.db2.gz ACUYVCOXFOWROG-SLBVQIDZSA-N 2 2 350.463 0.737 10 0 FCAELP CS(=O)(=O)CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001491811387 1263624973 /nfs/dbraw/zinc/62/49/73/1263624973.db2.gz VPUUHSOQTBUWFI-MGPQQGTHSA-N 2 2 354.476 0.386 10 0 FCAELP CS(=O)(=O)CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001491811387 1263624985 /nfs/dbraw/zinc/62/49/85/1263624985.db2.gz VPUUHSOQTBUWFI-MGPQQGTHSA-N 2 2 354.476 0.386 10 0 FCAELP CN(CCCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001492481979 1263660840 /nfs/dbraw/zinc/66/08/40/1263660840.db2.gz GCEBZKQFJCZSEC-OAGGEKHMSA-N 2 2 361.490 0.973 10 0 FCAELP CN(CCCNC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001492481979 1263660854 /nfs/dbraw/zinc/66/08/54/1263660854.db2.gz GCEBZKQFJCZSEC-OAGGEKHMSA-N 2 2 361.490 0.973 10 0 FCAELP CN(CC[NH2+]C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001493699622 1263738049 /nfs/dbraw/zinc/73/80/49/1263738049.db2.gz NNOLAIWVXTVKKH-BFHYXJOUSA-N 2 2 354.476 0.006 10 0 FCAELP CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CCN1C(=O)CCC1=O ZINC001319917484 1263743490 /nfs/dbraw/zinc/74/34/90/1263743490.db2.gz KKNMZEQNISXXDK-MGPQQGTHSA-N 2 2 361.446 0.393 10 0 FCAELP CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CCN1C(=O)CCC1=O ZINC001319917484 1263743494 /nfs/dbraw/zinc/74/34/94/1263743494.db2.gz KKNMZEQNISXXDK-MGPQQGTHSA-N 2 2 361.446 0.393 10 0 FCAELP CN(C)c1cccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC001320236153 1263775586 /nfs/dbraw/zinc/77/55/86/1263775586.db2.gz VEVVPFQGLUTSJB-BRWVUGGUSA-N 2 2 357.458 0.846 10 0 FCAELP CN(C)c1cccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC001320236153 1263775594 /nfs/dbraw/zinc/77/55/94/1263775594.db2.gz VEVVPFQGLUTSJB-BRWVUGGUSA-N 2 2 357.458 0.846 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CNC(=O)CCn3cc[nH+]c3)C2)CC[N@@H+]1C ZINC001495210336 1263807600 /nfs/dbraw/zinc/80/76/00/1263807600.db2.gz PEJIRJRSBNHRFV-YESZJQIVSA-N 2 2 361.490 0.968 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CNC(=O)CCn3cc[nH+]c3)C2)CC[N@H+]1C ZINC001495210336 1263807627 /nfs/dbraw/zinc/80/76/27/1263807627.db2.gz PEJIRJRSBNHRFV-YESZJQIVSA-N 2 2 361.490 0.968 10 0 FCAELP COCCOCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001500261753 1264061483 /nfs/dbraw/zinc/06/14/83/1264061483.db2.gz UTNWWMLQXQAFEH-IIDMSEBBSA-N 2 2 350.463 0.767 10 0 FCAELP COCCOCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001500261753 1264061492 /nfs/dbraw/zinc/06/14/92/1264061492.db2.gz UTNWWMLQXQAFEH-IIDMSEBBSA-N 2 2 350.463 0.767 10 0 FCAELP CN(CCN(C)C(=O)C12CC[NH+](CC1)C2)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001501218480 1264111572 /nfs/dbraw/zinc/11/15/72/1264111572.db2.gz LOFBZJBAEYVXAY-HUUCEWRRSA-N 2 2 359.474 0.536 10 0 FCAELP C[C@H](C[N@H+](C)Cc1cc(=O)n2[nH]ccc2n1)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001322160561 1264156723 /nfs/dbraw/zinc/15/67/23/1264156723.db2.gz MYDLIGQTFWMMIZ-UMVBOHGHSA-N 2 2 360.462 0.299 10 0 FCAELP C[C@H](C[N@@H+](C)Cc1cc(=O)n2[nH]ccc2n1)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001322160561 1264156726 /nfs/dbraw/zinc/15/67/26/1264156726.db2.gz MYDLIGQTFWMMIZ-UMVBOHGHSA-N 2 2 360.462 0.299 10 0 FCAELP C[C@H](C[NH+](C)Cc1cc(=O)n2[nH]ccc2n1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001322160561 1264156729 /nfs/dbraw/zinc/15/67/29/1264156729.db2.gz MYDLIGQTFWMMIZ-UMVBOHGHSA-N 2 2 360.462 0.299 10 0 FCAELP C[C@H](C[NH+](C)Cc1cc(=O)n2[nH]ccc2n1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001322160561 1264156730 /nfs/dbraw/zinc/15/67/30/1264156730.db2.gz MYDLIGQTFWMMIZ-UMVBOHGHSA-N 2 2 360.462 0.299 10 0 FCAELP Cc1csc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n1 ZINC001507505651 1264369775 /nfs/dbraw/zinc/36/97/75/1264369775.db2.gz XAGCJEBMVPPBJK-BFHYXJOUSA-N 2 2 363.487 0.898 10 0 FCAELP C[NH+](C)CC1(C(=O)NC[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@H]32)CC1 ZINC001509697727 1264465020 /nfs/dbraw/zinc/46/50/20/1264465020.db2.gz VMJGVKAFVVXBSH-QCODTGAPSA-N 2 2 371.485 0.676 10 0 FCAELP C[NH+](C)CC1(C(=O)NC[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@H]32)CC1 ZINC001509697727 1264465026 /nfs/dbraw/zinc/46/50/26/1264465026.db2.gz VMJGVKAFVVXBSH-QCODTGAPSA-N 2 2 371.485 0.676 10 0 FCAELP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1OC)[NH+](CC)CC ZINC001513427456 1265117155 /nfs/dbraw/zinc/11/71/55/1265117155.db2.gz VSKVEVVNFLPCAU-QLFBSQMISA-N 2 2 365.478 0.415 10 0 FCAELP O=C(NCC1([NH2+]CCN2C(=O)CCC2=O)CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001326835215 1265179023 /nfs/dbraw/zinc/17/90/23/1265179023.db2.gz SKODFJSOGWHMOE-CHWSQXEVSA-N 2 2 359.430 0.291 10 0 FCAELP O=C(NCC1([NH2+]CCN2C(=O)CCC2=O)CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001326835215 1265179027 /nfs/dbraw/zinc/17/90/27/1265179027.db2.gz SKODFJSOGWHMOE-CHWSQXEVSA-N 2 2 359.430 0.291 10 0 FCAELP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001522677990 1266572945 /nfs/dbraw/zinc/57/29/45/1266572945.db2.gz PGLUMTSMRFCRQH-QKNQBKEWSA-N 2 2 373.497 0.993 10 0 FCAELP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001522677990 1266572953 /nfs/dbraw/zinc/57/29/53/1266572953.db2.gz PGLUMTSMRFCRQH-QKNQBKEWSA-N 2 2 373.497 0.993 10 0 FCAELP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC001522677990 1266572960 /nfs/dbraw/zinc/57/29/60/1266572960.db2.gz PGLUMTSMRFCRQH-QKNQBKEWSA-N 2 2 373.497 0.993 10 0 FCAELP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC001522677990 1266572963 /nfs/dbraw/zinc/57/29/63/1266572963.db2.gz PGLUMTSMRFCRQH-QKNQBKEWSA-N 2 2 373.497 0.993 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCCCN(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1C ZINC001523426738 1266628818 /nfs/dbraw/zinc/62/88/18/1266628818.db2.gz RNVZUHDKYREJJK-BZUAXINKSA-N 2 2 361.490 0.750 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCCCN(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[N@H+]1C ZINC001523426738 1266628825 /nfs/dbraw/zinc/62/88/25/1266628825.db2.gz RNVZUHDKYREJJK-BZUAXINKSA-N 2 2 361.490 0.750 10 0 FCAELP C[C@@H]1[C@H](C(=O)N(C)CCCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[N@@H+]1C ZINC001523506219 1266635769 /nfs/dbraw/zinc/63/57/69/1266635769.db2.gz SFFQODKPQJCCFE-BFYDXBDKSA-N 2 2 361.490 0.750 10 0 FCAELP C[C@@H]1[C@H](C(=O)N(C)CCCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[N@H+]1C ZINC001523506219 1266635777 /nfs/dbraw/zinc/63/57/77/1266635777.db2.gz SFFQODKPQJCCFE-BFYDXBDKSA-N 2 2 361.490 0.750 10 0 FCAELP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001527803747 1266925592 /nfs/dbraw/zinc/92/55/92/1266925592.db2.gz SKXFGWKBMMZQSH-ILZDJORESA-N 2 2 374.485 0.698 10 0 FCAELP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001527803747 1266925611 /nfs/dbraw/zinc/92/56/11/1266925611.db2.gz SKXFGWKBMMZQSH-ILZDJORESA-N 2 2 374.485 0.698 10 0 FCAELP C[NH+]1Cc2ccccc2[C@H]1CNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001527803747 1266925620 /nfs/dbraw/zinc/92/56/20/1266925620.db2.gz SKXFGWKBMMZQSH-ILZDJORESA-N 2 2 374.485 0.698 10 0 FCAELP C[NH+]1Cc2ccccc2[C@H]1CNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001527803747 1266925629 /nfs/dbraw/zinc/92/56/29/1266925629.db2.gz SKXFGWKBMMZQSH-ILZDJORESA-N 2 2 374.485 0.698 10 0 FCAELP C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3ccncc3)CC2)C1 ZINC001528976784 1267015059 /nfs/dbraw/zinc/01/50/59/1267015059.db2.gz KAKFATXALYHCRQ-IBGZPJMESA-N 2 2 357.502 0.894 10 0 FCAELP C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[N@H+]3Cc3ccncc3)CC2)C1 ZINC001528976784 1267015069 /nfs/dbraw/zinc/01/50/69/1267015069.db2.gz KAKFATXALYHCRQ-IBGZPJMESA-N 2 2 357.502 0.894 10 0 FCAELP COC(=O)c1cnc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)s1 ZINC001565358478 1269465519 /nfs/dbraw/zinc/46/55/19/1269465519.db2.gz AVHVPNXTIVTMCD-UHFFFAOYSA-N 2 2 357.480 0.612 10 0 FCAELP COC(=O)c1cnc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)s1 ZINC001565358478 1269465525 /nfs/dbraw/zinc/46/55/25/1269465525.db2.gz AVHVPNXTIVTMCD-UHFFFAOYSA-N 2 2 357.480 0.612 10 0 FCAELP Cn1cc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2[NH2+]Cc2cnsn2)cn1 ZINC001565926790 1269522038 /nfs/dbraw/zinc/52/20/38/1269522038.db2.gz ZYMGXRLNUYZYFV-LSDHHAIUSA-N 2 2 363.491 0.308 10 0 FCAELP CC(C)CNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001565962230 1269533659 /nfs/dbraw/zinc/53/36/59/1269533659.db2.gz VSKKVHQWNCEQGC-IKGGRYGDSA-N 2 2 368.522 0.306 10 0 FCAELP CC(C)CNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001565962230 1269533666 /nfs/dbraw/zinc/53/36/66/1269533666.db2.gz VSKKVHQWNCEQGC-IKGGRYGDSA-N 2 2 368.522 0.306 10 0 FCAELP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3nnnn3C)CC[C@@H]2C1)[NH+](CC)CC ZINC001566049732 1269582321 /nfs/dbraw/zinc/58/23/21/1269582321.db2.gz PCRHHQBSFXCPMO-OWCLPIDISA-N 2 2 363.510 0.611 10 0 FCAELP CC[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3nnnn3C)CC[C@@H]2C1)[NH+](CC)CC ZINC001566049732 1269582327 /nfs/dbraw/zinc/58/23/27/1269582327.db2.gz PCRHHQBSFXCPMO-OWCLPIDISA-N 2 2 363.510 0.611 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC(=O)NC2CC2)C1 ZINC001567737483 1269704108 /nfs/dbraw/zinc/70/41/08/1269704108.db2.gz BYWDJQYOXDMLLV-NUEKZKHPSA-N 2 2 359.474 0.583 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NC2CC2)C1 ZINC001567737483 1269704113 /nfs/dbraw/zinc/70/41/13/1269704113.db2.gz BYWDJQYOXDMLLV-NUEKZKHPSA-N 2 2 359.474 0.583 10 0 FCAELP CO[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001343065230 1269754627 /nfs/dbraw/zinc/75/46/27/1269754627.db2.gz PPJLXOFUJVZQJG-ZIAGYGMSSA-N 2 2 365.478 0.371 10 0 FCAELP C[C@H](C[NH2+]CC1(CS(C)(=O)=O)CC1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001568997802 1269758721 /nfs/dbraw/zinc/75/87/21/1269758721.db2.gz KPEZTBNVKYNNLD-JHJVBQTASA-N 2 2 354.476 0.432 10 0 FCAELP C[C@H](C[NH2+]CC1(CS(C)(=O)=O)CC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001568997802 1269758726 /nfs/dbraw/zinc/75/87/26/1269758726.db2.gz KPEZTBNVKYNNLD-JHJVBQTASA-N 2 2 354.476 0.432 10 0 FCAELP C[C@@H](C[NH2+]Cc1cnns1)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001569070309 1269763022 /nfs/dbraw/zinc/76/30/22/1269763022.db2.gz QHTUERVWEVVTHU-GUTXKFCHSA-N 2 2 369.491 0.012 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1(C)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001569704808 1269798355 /nfs/dbraw/zinc/79/83/55/1269798355.db2.gz CENYESPXPUCHBA-RBSFLKMASA-N 2 2 359.474 0.630 10 0 FCAELP Cc1cnc(C[NH2+][C@@]2(CO)CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1 ZINC001570282945 1269862460 /nfs/dbraw/zinc/86/24/60/1269862460.db2.gz IEVDTNVVYSVWRX-MDZRGWNJSA-N 2 2 361.490 0.568 10 0 FCAELP Cc1cnc(C[NH2+][C@@]2(CO)CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nc1 ZINC001570282945 1269862467 /nfs/dbraw/zinc/86/24/67/1269862467.db2.gz IEVDTNVVYSVWRX-MDZRGWNJSA-N 2 2 361.490 0.568 10 0 FCAELP CN(C[C@@H](O)C[N@H+](C)Cc1ccccn1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001571606753 1269946438 /nfs/dbraw/zinc/94/64/38/1269946438.db2.gz USAVGHALDXRRBQ-GVDBMIGSSA-N 2 2 357.458 0.870 10 0 FCAELP CN(C[C@@H](O)C[N@@H+](C)Cc1ccccn1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001571606753 1269946445 /nfs/dbraw/zinc/94/64/45/1269946445.db2.gz USAVGHALDXRRBQ-GVDBMIGSSA-N 2 2 357.458 0.870 10 0 FCAELP CC(C)[N@H+](C)CC(=O)N1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001571963276 1269984791 /nfs/dbraw/zinc/98/47/91/1269984791.db2.gz IDHYJTXVFVZWBZ-FVQBIDKESA-N 2 2 361.490 0.827 10 0 FCAELP CC(C)[N@@H+](C)CC(=O)N1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001571963276 1269984796 /nfs/dbraw/zinc/98/47/96/1269984796.db2.gz IDHYJTXVFVZWBZ-FVQBIDKESA-N 2 2 361.490 0.827 10 0 FCAELP CC[N@H+](C)CCC(=O)N1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001344188689 1270110150 /nfs/dbraw/zinc/11/01/50/1270110150.db2.gz FFKZXLWZTXGYMA-ARFHVFGLSA-N 2 2 361.490 0.925 10 0 FCAELP CC[N@@H+](C)CCC(=O)N1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001344188689 1270110155 /nfs/dbraw/zinc/11/01/55/1270110155.db2.gz FFKZXLWZTXGYMA-ARFHVFGLSA-N 2 2 361.490 0.925 10 0 FCAELP C[NH+](C)CCC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001344316510 1270146536 /nfs/dbraw/zinc/14/65/36/1270146536.db2.gz BSLDOCMQSHBMTL-ARFHVFGLSA-N 2 2 361.490 0.798 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)CCc2[nH+]ccn2C)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001344902569 1270273175 /nfs/dbraw/zinc/27/31/75/1270273175.db2.gz WPMULFVCLLLRDR-ARFHVFGLSA-N 2 2 361.490 0.943 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)CCc2[nH+]ccn2C)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001344902569 1270273179 /nfs/dbraw/zinc/27/31/79/1270273179.db2.gz WPMULFVCLLLRDR-ARFHVFGLSA-N 2 2 361.490 0.943 10 0 FCAELP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1O)[NH+](CC)CC ZINC001573031849 1270544630 /nfs/dbraw/zinc/54/46/30/1270544630.db2.gz KFGGDCHEMZBLQW-PMPSAXMXSA-N 2 2 365.478 0.151 10 0 FCAELP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1O)[NH+](CC)CC ZINC001573031849 1270544633 /nfs/dbraw/zinc/54/46/33/1270544633.db2.gz KFGGDCHEMZBLQW-PMPSAXMXSA-N 2 2 365.478 0.151 10 0 FCAELP CC[N@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001573737169 1270864796 /nfs/dbraw/zinc/86/47/96/1270864796.db2.gz HMBFGWPJYJPLKC-HNAYVOBHSA-N 2 2 361.490 0.991 10 0 FCAELP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001573737169 1270864805 /nfs/dbraw/zinc/86/48/05/1270864805.db2.gz HMBFGWPJYJPLKC-HNAYVOBHSA-N 2 2 361.490 0.991 10 0 FCAELP CC[N@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001573737169 1270864812 /nfs/dbraw/zinc/86/48/12/1270864812.db2.gz HMBFGWPJYJPLKC-HNAYVOBHSA-N 2 2 361.490 0.991 10 0 FCAELP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001573737169 1270864825 /nfs/dbraw/zinc/86/48/25/1270864825.db2.gz HMBFGWPJYJPLKC-HNAYVOBHSA-N 2 2 361.490 0.991 10 0 FCAELP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001573840543 1270902020 /nfs/dbraw/zinc/90/20/20/1270902020.db2.gz XWPCRQWOBBAFIW-HUUCEWRRSA-N 2 2 361.490 0.994 10 0 FCAELP CC[C@H](C(=O)N1CC[NH+](CCCNC(=O)[C@]23C[C@H]2COC3)CC1)[NH+](C)C ZINC001577834570 1274947819 /nfs/dbraw/zinc/94/78/19/1274947819.db2.gz NGFRFKSZHQXNCF-FCEWJHQRSA-N 2 2 366.506 0.014 10 0 FCAELP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001713344574 1287275313 /nfs/dbraw/zinc/27/53/13/1287275313.db2.gz SJMSJRQRVGGNHI-RRFJBIMHSA-N 2 2 362.478 0.659 10 0 FCAELP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001713344574 1287275319 /nfs/dbraw/zinc/27/53/19/1287275319.db2.gz SJMSJRQRVGGNHI-RRFJBIMHSA-N 2 2 362.478 0.659 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)[C@H](C)C(=O)Nc2ncccn2)CC[N@@H+]1C ZINC001713453843 1287279305 /nfs/dbraw/zinc/27/93/05/1287279305.db2.gz RFQKKVDKSYXFMD-QLFBSQMISA-N 2 2 362.478 0.582 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)[C@H](C)C(=O)Nc2ncccn2)CC[N@H+]1C ZINC001713453843 1287279308 /nfs/dbraw/zinc/27/93/08/1287279308.db2.gz RFQKKVDKSYXFMD-QLFBSQMISA-N 2 2 362.478 0.582 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](C)[C@H](C)C(=O)Nc2ncccn2)CC[NH+]1C ZINC001713453843 1287279309 /nfs/dbraw/zinc/27/93/09/1287279309.db2.gz RFQKKVDKSYXFMD-QLFBSQMISA-N 2 2 362.478 0.582 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](C)[C@H](C)C(=O)Nc2ncccn2)CC[NH+]1C ZINC001713453843 1287279313 /nfs/dbraw/zinc/27/93/13/1287279313.db2.gz RFQKKVDKSYXFMD-QLFBSQMISA-N 2 2 362.478 0.582 10 0 FCAELP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)Cc1nc(=O)n(C)[nH]1 ZINC001714655212 1287330222 /nfs/dbraw/zinc/33/02/22/1287330222.db2.gz YNBWKWRDAMJGIH-UONOGXRCSA-N 2 2 352.483 0.167 10 0 FCAELP CCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)Cc1nc(=O)n(C)[nH]1 ZINC001714655212 1287330223 /nfs/dbraw/zinc/33/02/23/1287330223.db2.gz YNBWKWRDAMJGIH-UONOGXRCSA-N 2 2 352.483 0.167 10 0 FCAELP CCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)Cc1nc(=O)n(C)[nH]1 ZINC001714655212 1287330224 /nfs/dbraw/zinc/33/02/24/1287330224.db2.gz YNBWKWRDAMJGIH-UONOGXRCSA-N 2 2 352.483 0.167 10 0 FCAELP CCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)Cc1nc(=O)n(C)[nH]1 ZINC001714655212 1287330225 /nfs/dbraw/zinc/33/02/25/1287330225.db2.gz YNBWKWRDAMJGIH-UONOGXRCSA-N 2 2 352.483 0.167 10 0 FCAELP C[C@H](C[NH2+]CC(=O)Nc1ccon1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001714772589 1287335319 /nfs/dbraw/zinc/33/53/19/1287335319.db2.gz HOCRMLPGMHLRIJ-JHJVBQTASA-N 2 2 360.418 0.587 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](CC[NH2+]Cc3nnn(C)n3)C2)CC[N@@H+]1C ZINC001715136032 1287345711 /nfs/dbraw/zinc/34/57/11/1287345711.db2.gz BVYPAPPVBODQRN-HRCADAONSA-N 2 2 363.510 0.659 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](CC[NH2+]Cc3nnn(C)n3)C2)CC[N@H+]1C ZINC001715136032 1287345717 /nfs/dbraw/zinc/34/57/17/1287345717.db2.gz BVYPAPPVBODQRN-HRCADAONSA-N 2 2 363.510 0.659 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@](C)(C[NH2+]CC(=O)N1CCC1)C1CC1 ZINC001715120828 1287346105 /nfs/dbraw/zinc/34/61/05/1287346105.db2.gz RHGSJSUIRIYZBO-CLCXKQKWSA-N 2 2 359.474 0.630 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nnc(C(C)C)o2)CC[N@@H+]1C ZINC001716087825 1287369348 /nfs/dbraw/zinc/36/93/48/1287369348.db2.gz NSSAJLQZWPLYJA-MELADBBJSA-N 2 2 353.467 0.490 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nnc(C(C)C)o2)CC[N@H+]1C ZINC001716087825 1287369356 /nfs/dbraw/zinc/36/93/56/1287369356.db2.gz NSSAJLQZWPLYJA-MELADBBJSA-N 2 2 353.467 0.490 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2nc(C3CCC3)no2)CC[N@@H+]1C ZINC001716087740 1287370224 /nfs/dbraw/zinc/37/02/24/1287370224.db2.gz LZMSGHWWXKUBTF-QLFBSQMISA-N 2 2 365.478 0.634 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2nc(C3CCC3)no2)CC[N@H+]1C ZINC001716087740 1287370225 /nfs/dbraw/zinc/37/02/25/1287370225.db2.gz LZMSGHWWXKUBTF-QLFBSQMISA-N 2 2 365.478 0.634 10 0 FCAELP C[C@H](C[NH2+]Cc1cncs1)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001716405595 1287378959 /nfs/dbraw/zinc/37/89/59/1287378959.db2.gz KSGVCXZGBAUDST-FMKPAKJESA-N 2 2 368.503 0.617 10 0 FCAELP O=C(NCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1)C1CC1 ZINC001716732310 1287388697 /nfs/dbraw/zinc/38/86/97/1287388697.db2.gz VBTNPJTZKVGBSS-QINHECLXSA-N 2 2 371.485 0.964 10 0 FCAELP O=C(NCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1)C1CC1 ZINC001716732310 1287388698 /nfs/dbraw/zinc/38/86/98/1287388698.db2.gz VBTNPJTZKVGBSS-QINHECLXSA-N 2 2 371.485 0.964 10 0 FCAELP Cn1cnnc1C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001716876731 1287392182 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CO[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCOCC1 ZINC001271064130 859892125 /nfs/dbraw/zinc/89/21/25/859892125.db2.gz IGELZFZYTNRBKD-RRFJBIMHSA-N 2 2 350.463 0.814 10 0 FCAELP C[C@H](O)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001280835255 863450945 /nfs/dbraw/zinc/45/09/45/863450945.db2.gz CCECULPNZUNARF-BBWFWOEESA-N 2 2 357.495 0.027 10 0 FCAELP C[C@H](O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001280835255 863450950 /nfs/dbraw/zinc/45/09/50/863450950.db2.gz CCECULPNZUNARF-BBWFWOEESA-N 2 2 357.495 0.027 10 0 FCAELP CC(C)NC(=O)NCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001283618331 864510016 /nfs/dbraw/zinc/51/00/16/864510016.db2.gz SMTNFYZDPPCGQB-MGPQQGTHSA-N 2 2 350.467 0.657 10 0 FCAELP CC(C)NC(=O)NCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001283618331 864510020 /nfs/dbraw/zinc/51/00/20/864510020.db2.gz SMTNFYZDPPCGQB-MGPQQGTHSA-N 2 2 350.467 0.657 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC[N@@H+]1CCOCCO ZINC001316734089 867429975 /nfs/dbraw/zinc/42/99/75/867429975.db2.gz VEUKUFQYFMUSQI-HYVNUMGLSA-N 2 2 350.463 0.424 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC[N@H+]1CCOCCO ZINC001316734089 867429981 /nfs/dbraw/zinc/42/99/81/867429981.db2.gz VEUKUFQYFMUSQI-HYVNUMGLSA-N 2 2 350.463 0.424 10 0 FCAELP COCCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H]1C ZINC001316790611 867489074 /nfs/dbraw/zinc/48/90/74/867489074.db2.gz YANXTBQXHDXXJH-PMPSAXMXSA-N 2 2 354.495 0.202 10 0 FCAELP COCCCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H]1C ZINC001316790611 867489083 /nfs/dbraw/zinc/48/90/83/867489083.db2.gz YANXTBQXHDXXJH-PMPSAXMXSA-N 2 2 354.495 0.202 10 0 FCAELP COCCCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1C ZINC001316790611 867489094 /nfs/dbraw/zinc/48/90/94/867489094.db2.gz YANXTBQXHDXXJH-PMPSAXMXSA-N 2 2 354.495 0.202 10 0 FCAELP COCCCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1C ZINC001316790611 867489102 /nfs/dbraw/zinc/48/91/02/867489102.db2.gz YANXTBQXHDXXJH-PMPSAXMXSA-N 2 2 354.495 0.202 10 0 FCAELP CCOC(=O)C1(C(F)(F)F)CC[NH+](CC(=O)N2CC[NH2+]CC2)CC1 ZINC001354184569 867561027 /nfs/dbraw/zinc/56/10/27/867561027.db2.gz JZSLQIXEEGVOCL-UHFFFAOYSA-N 2 2 351.369 0.626 10 0 FCAELP O=C(NC/C=C/C[NH2+]CC[C@H]1CCS(=O)(=O)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001321097817 868366624 /nfs/dbraw/zinc/36/66/24/868366624.db2.gz QLXPDWIJJAOXDS-VRPMXSRISA-N 2 2 366.487 0.600 10 0 FCAELP O=C(NC/C=C/C[NH2+]CC[C@H]1CCS(=O)(=O)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001321097817 868366633 /nfs/dbraw/zinc/36/66/33/868366633.db2.gz QLXPDWIJJAOXDS-VRPMXSRISA-N 2 2 366.487 0.600 10 0 FCAELP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC001327932655 871145142 /nfs/dbraw/zinc/14/51/42/871145142.db2.gz MQMRCQUIIHPXFV-BFHYXJOUSA-N 2 2 351.426 0.099 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)n1 ZINC001332361963 873477362 /nfs/dbraw/zinc/47/73/62/873477362.db2.gz RDRFBLRDYBTFPF-HNNXBMFYSA-N 2 2 367.519 0.945 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)n1 ZINC001332361963 873477367 /nfs/dbraw/zinc/47/73/67/873477367.db2.gz RDRFBLRDYBTFPF-HNNXBMFYSA-N 2 2 367.519 0.945 10 0 FCAELP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292126315 214080370 /nfs/dbraw/zinc/08/03/70/214080370.db2.gz KRZQIKGTJHGMFQ-UZLBHIALSA-N 2 2 374.485 0.980 10 0 FCAELP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292126315 214080373 /nfs/dbraw/zinc/08/03/73/214080373.db2.gz KRZQIKGTJHGMFQ-UZLBHIALSA-N 2 2 374.485 0.980 10 0 FCAELP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292126315 214080375 /nfs/dbraw/zinc/08/03/75/214080375.db2.gz KRZQIKGTJHGMFQ-UZLBHIALSA-N 2 2 374.485 0.980 10 0 FCAELP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292126315 214080378 /nfs/dbraw/zinc/08/03/78/214080378.db2.gz KRZQIKGTJHGMFQ-UZLBHIALSA-N 2 2 374.485 0.980 10 0 FCAELP COc1ccc(F)c(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000293436929 214173274 /nfs/dbraw/zinc/17/32/74/214173274.db2.gz BQSSWNWOFXEJIC-HNNXBMFYSA-N 2 2 351.422 0.857 10 0 FCAELP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCOC[C@@H](O)C3)CC2)cc1 ZINC000295513240 214301463 /nfs/dbraw/zinc/30/14/63/214301463.db2.gz HYPCBIBFIGDXCX-IBGZPJMESA-N 2 2 361.486 0.722 10 0 FCAELP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCOC[C@@H](O)C3)CC2)cc1 ZINC000295513240 214301466 /nfs/dbraw/zinc/30/14/66/214301466.db2.gz HYPCBIBFIGDXCX-IBGZPJMESA-N 2 2 361.486 0.722 10 0 FCAELP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCOC[C@@H](O)C3)CC2)cc1 ZINC000295513240 214301469 /nfs/dbraw/zinc/30/14/69/214301469.db2.gz HYPCBIBFIGDXCX-IBGZPJMESA-N 2 2 361.486 0.722 10 0 FCAELP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCOC[C@@H](O)C3)CC2)cc1 ZINC000295513240 214301471 /nfs/dbraw/zinc/30/14/71/214301471.db2.gz HYPCBIBFIGDXCX-IBGZPJMESA-N 2 2 361.486 0.722 10 0 FCAELP C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2nc(C[NH+](C)C)cs2)C[N@@H+]1C1CC1 ZINC000930478130 674030721 /nfs/dbraw/zinc/03/07/21/674030721.db2.gz BUFLKDMDZPTSDJ-VXGBXAGGSA-N 2 2 365.503 0.562 10 0 FCAELP C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2nc(C[NH+](C)C)cs2)C[N@H+]1C1CC1 ZINC000930478130 674030722 /nfs/dbraw/zinc/03/07/22/674030722.db2.gz BUFLKDMDZPTSDJ-VXGBXAGGSA-N 2 2 365.503 0.562 10 0 FCAELP NC(=O)COc1ccc(CNC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000265443582 210137451 /nfs/dbraw/zinc/13/74/51/210137451.db2.gz ACNHDAUCJDDADZ-UHFFFAOYSA-N 2 2 371.441 0.770 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)n1 ZINC000930827307 674064352 /nfs/dbraw/zinc/06/43/52/674064352.db2.gz CUCDLBANTMGTMO-CYBMUJFWSA-N 2 2 367.519 0.669 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)n1 ZINC000930827307 674064353 /nfs/dbraw/zinc/06/43/53/674064353.db2.gz CUCDLBANTMGTMO-CYBMUJFWSA-N 2 2 367.519 0.669 10 0 FCAELP CN(C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333662883 215306329 /nfs/dbraw/zinc/30/63/29/215306329.db2.gz XEQXBDATBKVWJY-YHUYYLMFSA-N 2 2 354.401 0.684 10 0 FCAELP CN(C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333662883 215306332 /nfs/dbraw/zinc/30/63/32/215306332.db2.gz XEQXBDATBKVWJY-YHUYYLMFSA-N 2 2 354.401 0.684 10 0 FCAELP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000333729658 215314199 /nfs/dbraw/zinc/31/41/99/215314199.db2.gz VWQURTMFJRICIL-ZACQAIPSSA-N 2 2 365.522 0.713 10 0 FCAELP CCNC(=O)N1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000361324434 215389952 /nfs/dbraw/zinc/38/99/52/215389952.db2.gz AMXUWANULLXPTO-GJZGRUSLSA-N 2 2 366.510 0.258 10 0 FCAELP CCNC(=O)N1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000361324434 215389955 /nfs/dbraw/zinc/38/99/55/215389955.db2.gz AMXUWANULLXPTO-GJZGRUSLSA-N 2 2 366.510 0.258 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CC2)cc[nH+]1 ZINC000285123671 213286602 /nfs/dbraw/zinc/28/66/02/213286602.db2.gz LDWMHNGVKZVNRQ-OAHLLOKOSA-N 2 2 372.473 0.034 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)CC2)cc[nH+]1 ZINC000285123671 213286604 /nfs/dbraw/zinc/28/66/04/213286604.db2.gz LDWMHNGVKZVNRQ-OAHLLOKOSA-N 2 2 372.473 0.034 10 0 FCAELP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000284998413 213263451 /nfs/dbraw/zinc/26/34/51/213263451.db2.gz QGHYFGFULQVKGA-HNNXBMFYSA-N 2 2 356.430 0.436 10 0 FCAELP O=C(NCc1cccnc1-n1cc[nH+]c1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000284199365 213095597 /nfs/dbraw/zinc/09/55/97/213095597.db2.gz HNFMOVHGNLMIOS-CVEARBPZSA-N 2 2 368.441 0.627 10 0 FCAELP O=C(NCc1cccnc1-n1cc[nH+]c1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000284199365 213095600 /nfs/dbraw/zinc/09/56/00/213095600.db2.gz HNFMOVHGNLMIOS-CVEARBPZSA-N 2 2 368.441 0.627 10 0 FCAELP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000283833074 213015571 /nfs/dbraw/zinc/01/55/71/213015571.db2.gz AHPYUMUSLSWCPQ-JKSUJKDBSA-N 2 2 370.457 0.873 10 0 FCAELP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366585833 216000215 /nfs/dbraw/zinc/00/02/15/216000215.db2.gz NNEJPRHGZVNRCD-HXUWFJFHSA-N 2 2 372.513 0.737 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CCC[NH+]2CCCC2)C1 ZINC000366882716 216046868 /nfs/dbraw/zinc/04/68/68/216046868.db2.gz LXYFRBZKEOAICN-SFHVURJKSA-N 3 2 354.539 0.877 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CCC[NH+]2CCCC2)C1 ZINC000366882716 216046872 /nfs/dbraw/zinc/04/68/72/216046872.db2.gz LXYFRBZKEOAICN-SFHVURJKSA-N 3 2 354.539 0.877 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)CCC[NH+]2CCCC2)C1 ZINC000366882716 216046875 /nfs/dbraw/zinc/04/68/75/216046875.db2.gz LXYFRBZKEOAICN-SFHVURJKSA-N 3 2 354.539 0.877 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)CCC[NH+]2CCCC2)C1 ZINC000366882716 216046879 /nfs/dbraw/zinc/04/68/79/216046879.db2.gz LXYFRBZKEOAICN-SFHVURJKSA-N 3 2 354.539 0.877 10 0 FCAELP COc1cccc([C@@H](CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)[NH+](C)C)c1 ZINC000246566242 209392842 /nfs/dbraw/zinc/39/28/42/209392842.db2.gz ZSUUWROMEAUNMX-IAGOWNOFSA-N 2 2 350.463 0.928 10 0 FCAELP COc1cccc([C@@H](CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)[NH+](C)C)c1 ZINC000246566242 209392845 /nfs/dbraw/zinc/39/28/45/209392845.db2.gz ZSUUWROMEAUNMX-IAGOWNOFSA-N 2 2 350.463 0.928 10 0 FCAELP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245419862 209368070 /nfs/dbraw/zinc/36/80/70/209368070.db2.gz HFKJECVOUGOGPR-HZPDHXFCSA-N 2 2 353.511 0.711 10 0 FCAELP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245419862 209368071 /nfs/dbraw/zinc/36/80/71/209368071.db2.gz HFKJECVOUGOGPR-HZPDHXFCSA-N 2 2 353.511 0.711 10 0 FCAELP C[C@@H]1CN(C(=O)C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000246319472 209383689 /nfs/dbraw/zinc/38/36/89/209383689.db2.gz ROWCPTUZUNYJFY-FGTMMUONSA-N 2 2 352.523 0.724 10 0 FCAELP C[C@@H]1CN(C(=O)C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000246319472 209383692 /nfs/dbraw/zinc/38/36/92/209383692.db2.gz ROWCPTUZUNYJFY-FGTMMUONSA-N 2 2 352.523 0.724 10 0 FCAELP O=C(NC[C@@H](O)C[NH+]1CCOCC1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000245694742 209375053 /nfs/dbraw/zinc/37/50/53/209375053.db2.gz RAGBJDQLCVCOCF-MSOLQXFVSA-N 2 2 365.449 0.599 10 0 FCAELP O=C(NC[C@@H](O)C[NH+]1CCOCC1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000245694742 209375055 /nfs/dbraw/zinc/37/50/55/209375055.db2.gz RAGBJDQLCVCOCF-MSOLQXFVSA-N 2 2 365.449 0.599 10 0 FCAELP C[C@H]1C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@H]1N1CCOCC1 ZINC000245768336 209374037 /nfs/dbraw/zinc/37/40/37/209374037.db2.gz RGADAVRDNPWEAN-FUHWJXTLSA-N 2 2 360.506 0.381 10 0 FCAELP C[C@H]1C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@H]1N1CCOCC1 ZINC000245768336 209374040 /nfs/dbraw/zinc/37/40/40/209374040.db2.gz RGADAVRDNPWEAN-FUHWJXTLSA-N 2 2 360.506 0.381 10 0 FCAELP CCCNC(=O)C[NH+]1CCC(NC(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000368582282 216268626 /nfs/dbraw/zinc/26/86/26/216268626.db2.gz JWPSDFNTLNUCDJ-UHFFFAOYSA-N 2 2 366.506 0.348 10 0 FCAELP CN1C(=O)C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000192153223 209297535 /nfs/dbraw/zinc/29/75/35/209297535.db2.gz AWFGPDXTAVYVJX-YJBOKZPZSA-N 2 2 364.877 0.975 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3nc4ccccc4c(=O)[nH]3)C2)CC1 ZINC000369249576 216371467 /nfs/dbraw/zinc/37/14/67/216371467.db2.gz LQVMRNPKOWURGU-ZDUSSCGKSA-N 2 2 355.442 0.821 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3nc4ccccc4c(=O)[nH]3)C2)CC1 ZINC000369249576 216371469 /nfs/dbraw/zinc/37/14/69/216371469.db2.gz LQVMRNPKOWURGU-ZDUSSCGKSA-N 2 2 355.442 0.821 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)CC1 ZINC000189666742 209257616 /nfs/dbraw/zinc/25/76/16/209257616.db2.gz QZYKFDSBHPCYLT-HNNXBMFYSA-N 2 2 360.506 0.962 10 0 FCAELP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1 ZINC000189475326 209252491 /nfs/dbraw/zinc/25/24/91/209252491.db2.gz NGTBPLJIOXMWGV-SFHVURJKSA-N 2 2 373.501 0.583 10 0 FCAELP C[C@@H]1C[NH+](C[C@@H]2CCCN2S(=O)(=O)CC[NH+]2CCCC2)C[C@@H](C)O1 ZINC000189422198 209251561 /nfs/dbraw/zinc/25/15/61/209251561.db2.gz CJIMSCLGGTUEIL-ZACQAIPSSA-N 2 2 359.536 0.986 10 0 FCAELP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCCNC(=O)[C@H]3C)CC2)c1 ZINC000189267743 209246609 /nfs/dbraw/zinc/24/66/09/209246609.db2.gz YPUWZNNHRGYIIV-QGZVFWFLSA-N 2 2 358.486 0.850 10 0 FCAELP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCCNC(=O)[C@H]3C)CC2)c1 ZINC000189267743 209246611 /nfs/dbraw/zinc/24/66/11/209246611.db2.gz YPUWZNNHRGYIIV-QGZVFWFLSA-N 2 2 358.486 0.850 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC[C@@]2(C)C(N)=O)C1 ZINC000185881520 209183406 /nfs/dbraw/zinc/18/34/06/209183406.db2.gz WAVPSVQALCLFGQ-YJBOKZPZSA-N 2 2 354.495 0.189 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC[C@@]2(C)C(N)=O)C1 ZINC000185881520 209183409 /nfs/dbraw/zinc/18/34/09/209183409.db2.gz WAVPSVQALCLFGQ-YJBOKZPZSA-N 2 2 354.495 0.189 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCCC[C@@]2(C)C(N)=O)C1 ZINC000185881520 209183411 /nfs/dbraw/zinc/18/34/11/209183411.db2.gz WAVPSVQALCLFGQ-YJBOKZPZSA-N 2 2 354.495 0.189 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCCC[C@@]2(C)C(N)=O)C1 ZINC000185881520 209183413 /nfs/dbraw/zinc/18/34/13/209183413.db2.gz WAVPSVQALCLFGQ-YJBOKZPZSA-N 2 2 354.495 0.189 10 0 FCAELP CC[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@@]2(CCOC2)O1 ZINC000373395337 217014411 /nfs/dbraw/zinc/01/44/11/217014411.db2.gz QHYOJGRHUDEVKY-IEBWSBKVSA-N 2 2 368.522 0.992 10 0 FCAELP C[C@H]1C[NH+](Cc2cccc(NC(=O)C(=O)N3CC[NH2+]CC3)c2)C[C@H](C)O1 ZINC000415284631 245375654 /nfs/dbraw/zinc/37/56/54/245375654.db2.gz PVFTVGPFPSDTCY-GJZGRUSLSA-N 2 2 360.458 0.666 10 0 FCAELP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3nc(N(C)C)no3)CC2)CC1 ZINC000185259714 209173930 /nfs/dbraw/zinc/17/39/30/209173930.db2.gz WAMWJIJHKLRYGX-UHFFFAOYSA-N 2 2 364.494 0.902 10 0 FCAELP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000373532333 217029853 /nfs/dbraw/zinc/02/98/53/217029853.db2.gz GCKSFSUYAXWJOY-OFLPRAFFSA-N 2 2 354.495 0.338 10 0 FCAELP COC[C@@H]1C[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C[C@@H](C)O1 ZINC000373675488 217043930 /nfs/dbraw/zinc/04/39/30/217043930.db2.gz JJSVBHOZYYQBKQ-IKGGRYGDSA-N 2 2 357.495 0.195 10 0 FCAELP COC[C@@H]1C[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C[C@@H](C)O1 ZINC000373675488 217043933 /nfs/dbraw/zinc/04/39/33/217043933.db2.gz JJSVBHOZYYQBKQ-IKGGRYGDSA-N 2 2 357.495 0.195 10 0 FCAELP COC[C@@H]1C[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C[C@@H](C)O1 ZINC000373675488 217043934 /nfs/dbraw/zinc/04/39/34/217043934.db2.gz JJSVBHOZYYQBKQ-IKGGRYGDSA-N 2 2 357.495 0.195 10 0 FCAELP COC[C@@H]1C[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H](C)O1 ZINC000373675488 217043937 /nfs/dbraw/zinc/04/39/37/217043937.db2.gz JJSVBHOZYYQBKQ-IKGGRYGDSA-N 2 2 357.495 0.195 10 0 FCAELP C[NH+]1CCN(C(=O)CC2CCN(c3ncnc4c3C[N@H+](C)CC4)CC2)CC1 ZINC000373960836 217079028 /nfs/dbraw/zinc/07/90/28/217079028.db2.gz ZGXTZJDBHCUIQH-UHFFFAOYSA-N 2 2 372.517 0.845 10 0 FCAELP C[NH+]1CCN(C(=O)CC2CCN(c3ncnc4c3C[N@@H+](C)CC4)CC2)CC1 ZINC000373960836 217079031 /nfs/dbraw/zinc/07/90/31/217079031.db2.gz ZGXTZJDBHCUIQH-UHFFFAOYSA-N 2 2 372.517 0.845 10 0 FCAELP NC(=O)COc1ccc(CNC(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000374212100 217109678 /nfs/dbraw/zinc/10/96/78/217109678.db2.gz ORTIAKSIBNANLL-UHFFFAOYSA-N 2 2 371.441 0.770 10 0 FCAELP CN(CCOCCO)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000374350327 217120255 /nfs/dbraw/zinc/12/02/55/217120255.db2.gz LDPZDTRZRHYSHI-UHFFFAOYSA-N 2 2 356.511 0.587 10 0 FCAELP CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC([NH+](CCOC)CCOC)CC1 ZINC000376432853 217398979 /nfs/dbraw/zinc/39/89/79/217398979.db2.gz GLWIXVJVNZNWQY-KRWDZBQOSA-N 2 2 357.495 0.293 10 0 FCAELP CC[N@H+]1CCOC[C@H]1C(=O)N1CCC([NH+](CCOC)CCOC)CC1 ZINC000376432853 217398981 /nfs/dbraw/zinc/39/89/81/217398981.db2.gz GLWIXVJVNZNWQY-KRWDZBQOSA-N 2 2 357.495 0.293 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418912913 245905167 /nfs/dbraw/zinc/90/51/67/245905167.db2.gz RYHFNJQGIWOFDU-KCXAZCMYSA-N 2 2 366.412 0.694 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418912913 245905170 /nfs/dbraw/zinc/90/51/70/245905170.db2.gz RYHFNJQGIWOFDU-KCXAZCMYSA-N 2 2 366.412 0.694 10 0 FCAELP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000419154200 246019712 /nfs/dbraw/zinc/01/97/12/246019712.db2.gz PVLZSNFZHAQWPE-DOTOQJQBSA-N 2 2 369.469 0.856 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000419390783 246130328 /nfs/dbraw/zinc/13/03/28/246130328.db2.gz JBGLKOHIDQADTF-MRXNPFEDSA-N 2 2 368.441 0.332 10 0 FCAELP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)C[C@@H](C)O1 ZINC000419412853 246147759 /nfs/dbraw/zinc/14/77/59/246147759.db2.gz RQGDWBDDEGYWCT-YLFCFFPRSA-N 2 2 370.538 0.971 10 0 FCAELP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)C[C@@H](C)O1 ZINC000419412853 246147765 /nfs/dbraw/zinc/14/77/65/246147765.db2.gz RQGDWBDDEGYWCT-YLFCFFPRSA-N 2 2 370.538 0.971 10 0 FCAELP C[C@@H]1CN(C(=O)NC2CC[NH+](CCN(C)C)CC2)[C@@H](C)C[N@@H+]1CCO ZINC000419407177 246139656 /nfs/dbraw/zinc/13/96/56/246139656.db2.gz JUSIAYSWUOYXIQ-CVEARBPZSA-N 2 2 355.527 0.109 10 0 FCAELP C[C@@H]1CN(C(=O)NC2CC[NH+](CCN(C)C)CC2)[C@@H](C)C[N@H+]1CCO ZINC000419407177 246139661 /nfs/dbraw/zinc/13/96/61/246139661.db2.gz JUSIAYSWUOYXIQ-CVEARBPZSA-N 2 2 355.527 0.109 10 0 FCAELP C[C@@H]1CCCN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)[C@@H]1C[NH3+] ZINC000419656934 246232472 /nfs/dbraw/zinc/23/24/72/246232472.db2.gz USBXEFLPWJNRME-GDBMZVCRSA-N 2 2 359.474 0.752 10 0 FCAELP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)C(=O)NCC2C[NH2+]C2)CC1 ZINC000419921202 246370846 /nfs/dbraw/zinc/37/08/46/246370846.db2.gz HTXMPMHGMAAYIF-ZDUSSCGKSA-N 2 2 364.877 0.881 10 0 FCAELP [NH3+][C@H](CNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000419930309 246375187 /nfs/dbraw/zinc/37/51/87/246375187.db2.gz NUZOVEVJNHVQAU-MRXNPFEDSA-N 2 2 353.426 0.546 10 0 FCAELP C[C@H]1CN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CC[N@@H+]1CCO ZINC000443226098 248312402 /nfs/dbraw/zinc/31/24/02/248312402.db2.gz MLADTTAVJPCGOW-HNNXBMFYSA-N 2 2 364.471 0.619 10 0 FCAELP C[C@H]1CN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CC[N@H+]1CCO ZINC000443226098 248312404 /nfs/dbraw/zinc/31/24/04/248312404.db2.gz MLADTTAVJPCGOW-HNNXBMFYSA-N 2 2 364.471 0.619 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H](CO)c2ccsc2)C1 ZINC000473175666 250204573 /nfs/dbraw/zinc/20/45/73/250204573.db2.gz URMQQJHTEQHAKB-HZPDHXFCSA-N 2 2 355.504 0.844 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H](CO)c2ccsc2)C1 ZINC000473175666 250204575 /nfs/dbraw/zinc/20/45/75/250204575.db2.gz URMQQJHTEQHAKB-HZPDHXFCSA-N 2 2 355.504 0.844 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000473408664 250227044 /nfs/dbraw/zinc/22/70/44/250227044.db2.gz HIGHVNHVIZZBLB-UHFFFAOYSA-N 2 2 354.495 0.111 10 0 FCAELP C[NH+](C)CCCCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000482180679 250380165 /nfs/dbraw/zinc/38/01/65/250380165.db2.gz OJYSQNKSZGOUGF-UHFFFAOYSA-N 2 2 361.490 0.968 10 0 FCAELP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719598 208038442 /nfs/dbraw/zinc/03/84/42/208038442.db2.gz JIYYIDRDRRWGAO-HZPDHXFCSA-N 2 2 350.507 0.920 10 0 FCAELP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719598 208038445 /nfs/dbraw/zinc/03/84/45/208038445.db2.gz JIYYIDRDRRWGAO-HZPDHXFCSA-N 2 2 350.507 0.920 10 0 FCAELP COCC[N@@H+]1CCN(CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC000106109048 208210691 /nfs/dbraw/zinc/21/06/91/208210691.db2.gz YXFUOFKSACUOQI-QZTJIDSGSA-N 2 2 370.538 0.112 10 0 FCAELP COCC[N@H+]1CCN(CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC000106109048 208210695 /nfs/dbraw/zinc/21/06/95/208210695.db2.gz YXFUOFKSACUOQI-QZTJIDSGSA-N 2 2 370.538 0.112 10 0 FCAELP COCC[NH+]1CCN(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC000106109048 208210701 /nfs/dbraw/zinc/21/07/01/208210701.db2.gz YXFUOFKSACUOQI-QZTJIDSGSA-N 2 2 370.538 0.112 10 0 FCAELP COCC[NH+]1CCN(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC000106109048 208210709 /nfs/dbraw/zinc/21/07/09/208210709.db2.gz YXFUOFKSACUOQI-QZTJIDSGSA-N 2 2 370.538 0.112 10 0 FCAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CC(=O)N3CCC[C@H](C)C3)CC2)C1 ZINC000106122787 208211876 /nfs/dbraw/zinc/21/18/76/208211876.db2.gz DZUSPFURMPXWOC-OALUTQOASA-N 2 2 366.550 0.972 10 0 FCAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CC(=O)N3CCC[C@H](C)C3)CC2)C1 ZINC000106122787 208211884 /nfs/dbraw/zinc/21/18/84/208211884.db2.gz DZUSPFURMPXWOC-OALUTQOASA-N 2 2 366.550 0.972 10 0 FCAELP CC(C)(CNC(=O)C[NH+]1CCC(Cn2cccn2)CC1)[NH+]1CCOCC1 ZINC000106182212 208216844 /nfs/dbraw/zinc/21/68/44/208216844.db2.gz DXEZZZHRMMUBRR-UHFFFAOYSA-N 2 2 363.506 0.822 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000108553333 208248144 /nfs/dbraw/zinc/24/81/44/208248144.db2.gz XFGWJXPQWIZZCK-ZWKOTPCHSA-N 2 2 367.538 0.519 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000108553333 208248149 /nfs/dbraw/zinc/24/81/49/208248149.db2.gz XFGWJXPQWIZZCK-ZWKOTPCHSA-N 2 2 367.538 0.519 10 0 FCAELP Cn1cnc2c1c(=O)n(CCC[NH+]1CCC([NH+]3CCCC3)CC1)c(=O)n2C ZINC000108865324 208250612 /nfs/dbraw/zinc/25/06/12/208250612.db2.gz BWRVGTOQKLUOGJ-UHFFFAOYSA-N 2 2 374.489 0.384 10 0 FCAELP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109755222 208259499 /nfs/dbraw/zinc/25/94/99/208259499.db2.gz DXVLOAAUUMWZKM-HOCLYGCPSA-N 2 2 351.495 0.465 10 0 FCAELP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109755222 208259505 /nfs/dbraw/zinc/25/95/05/208259505.db2.gz DXVLOAAUUMWZKM-HOCLYGCPSA-N 2 2 351.495 0.465 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC000109793917 208263610 /nfs/dbraw/zinc/26/36/10/208263610.db2.gz MMNJUFYLBXEERY-SFHVURJKSA-N 3 2 363.506 0.993 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC000109793917 208263615 /nfs/dbraw/zinc/26/36/15/208263615.db2.gz MMNJUFYLBXEERY-SFHVURJKSA-N 3 2 363.506 0.993 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(n3ccnc3)CC2)C1 ZINC000109793917 208263618 /nfs/dbraw/zinc/26/36/18/208263618.db2.gz MMNJUFYLBXEERY-SFHVURJKSA-N 2 2 363.506 0.993 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(n3ccnc3)CC2)C1 ZINC000109793917 208263622 /nfs/dbraw/zinc/26/36/22/208263622.db2.gz MMNJUFYLBXEERY-SFHVURJKSA-N 2 2 363.506 0.993 10 0 FCAELP Cc1cc(N2CC[C@H]([N@@H+](C)CCN(C)C3CC[NH+](C)CC3)C2=O)n(C)n1 ZINC000120250027 208377861 /nfs/dbraw/zinc/37/78/61/208377861.db2.gz ZUBXYEWQYUYOTP-KRWDZBQOSA-N 2 2 362.522 0.792 10 0 FCAELP Cc1cc(N2CC[C@H]([N@H+](C)CCN(C)C3CC[NH+](C)CC3)C2=O)n(C)n1 ZINC000120250027 208377866 /nfs/dbraw/zinc/37/78/66/208377866.db2.gz ZUBXYEWQYUYOTP-KRWDZBQOSA-N 2 2 362.522 0.792 10 0 FCAELP Cc1cc(N2CC[C@H](N(C)CC[N@H+](C)C3CC[NH+](C)CC3)C2=O)n(C)n1 ZINC000120250027 208377869 /nfs/dbraw/zinc/37/78/69/208377869.db2.gz ZUBXYEWQYUYOTP-KRWDZBQOSA-N 2 2 362.522 0.792 10 0 FCAELP Cc1cc(N2CC[C@H](N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)C2=O)n(C)n1 ZINC000120250027 208377877 /nfs/dbraw/zinc/37/78/77/208377877.db2.gz ZUBXYEWQYUYOTP-KRWDZBQOSA-N 2 2 362.522 0.792 10 0 FCAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000187734965 533209184 /nfs/dbraw/zinc/20/91/84/533209184.db2.gz UBLXJPXVNIVJNI-IRXDYDNUSA-N 2 2 361.490 0.117 10 0 FCAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000187734965 533209187 /nfs/dbraw/zinc/20/91/87/533209187.db2.gz UBLXJPXVNIVJNI-IRXDYDNUSA-N 2 2 361.490 0.117 10 0 FCAELP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000177347269 209021763 /nfs/dbraw/zinc/02/17/63/209021763.db2.gz WBDOXUHVFSPDAQ-CABCVRRESA-N 2 2 374.489 0.382 10 0 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373.501 0.628 10 0 FCAELP CC[N@@H+]1CCO[C@H](C(=O)Nc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000174679762 488850651 /nfs/dbraw/zinc/85/06/51/488850651.db2.gz RHFHDBBXVRAMCS-SFHVURJKSA-N 2 2 374.485 0.662 10 0 FCAELP CC[N@H+]1CCO[C@H](C(=O)Nc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000174679762 488850652 /nfs/dbraw/zinc/85/06/52/488850652.db2.gz RHFHDBBXVRAMCS-SFHVURJKSA-N 2 2 374.485 0.662 10 0 FCAELP CCOC(=O)CN(C)C(=O)C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174886616 488851771 /nfs/dbraw/zinc/85/17/71/488851771.db2.gz WBOJBKARLIBHJD-MRXNPFEDSA-N 2 2 354.495 0.110 10 0 FCAELP CCOC(=O)CN(C)C(=O)C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174886616 488851772 /nfs/dbraw/zinc/85/17/72/488851772.db2.gz WBOJBKARLIBHJD-MRXNPFEDSA-N 2 2 354.495 0.110 10 0 FCAELP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174880656 488852030 /nfs/dbraw/zinc/85/20/30/488852030.db2.gz HFKJECVOUGOGPR-CVEARBPZSA-N 2 2 353.511 0.711 10 0 FCAELP 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489426905 /nfs/dbraw/zinc/42/69/05/489426905.db2.gz JDRVLYZEFRVYTR-INIZCTEOSA-N 2 2 362.522 0.384 10 0 FCAELP C[NH+]1CCN(c2cc(C(=O)N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)ccn2)CC1 ZINC000363129738 489427245 /nfs/dbraw/zinc/42/72/45/489427245.db2.gz LDLWBAOUVJUGDN-MSOLQXFVSA-N 2 2 373.501 0.505 10 0 FCAELP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000423096289 489493105 /nfs/dbraw/zinc/49/31/05/489493105.db2.gz OPAWQSWUFTWWLW-CYBMUJFWSA-N 2 2 352.866 0.962 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C[C@@]1(C)C[NH3+] ZINC000423252002 489507107 /nfs/dbraw/zinc/50/71/07/489507107.db2.gz STIBPHZYYFHWOX-JTDSTZFVSA-N 2 2 366.506 0.143 10 0 FCAELP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)CC1 ZINC000425885281 489540564 /nfs/dbraw/zinc/54/05/64/489540564.db2.gz LKIQQFFMZJLLIJ-UHFFFAOYSA-N 2 2 366.506 0.324 10 0 FCAELP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC[N@@H+]2CC=C(C)CC2)CC1 ZINC000425885281 489540567 /nfs/dbraw/zinc/54/05/67/489540567.db2.gz LKIQQFFMZJLLIJ-UHFFFAOYSA-N 2 2 366.506 0.324 10 0 FCAELP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[N@@H+](CCO)C[C@H]2C)CC1 ZINC000452112878 489547947 /nfs/dbraw/zinc/54/79/47/489547947.db2.gz HBXCUPKPAFJSBK-LJQANCHMSA-N 2 2 374.529 0.638 10 0 FCAELP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[N@H+](CCO)C[C@H]2C)CC1 ZINC000452112878 489547949 /nfs/dbraw/zinc/54/79/49/489547949.db2.gz HBXCUPKPAFJSBK-LJQANCHMSA-N 2 2 374.529 0.638 10 0 FCAELP CC(C)CN(C(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000563673932 491262600 /nfs/dbraw/zinc/26/26/00/491262600.db2.gz VXBYADSRCAJJAN-KCYZZUKISA-N 2 2 359.536 0.634 10 0 FCAELP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000426334648 489563243 /nfs/dbraw/zinc/56/32/43/489563243.db2.gz LLRNRNGQSQBJRL-HUUCEWRRSA-N 2 2 353.511 0.840 10 0 FCAELP CCC[NH+]1CCC(CNC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000555666444 491263610 /nfs/dbraw/zinc/26/36/10/491263610.db2.gz DNBFKZAXGQELCG-UHFFFAOYSA-N 2 2 368.522 0.452 10 0 FCAELP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H](C)C1 ZINC000555667435 491263745 /nfs/dbraw/zinc/26/37/45/491263745.db2.gz JMGGEJZSHZEOMP-CVEARBPZSA-N 2 2 368.522 0.402 10 0 FCAELP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H](C)C1 ZINC000555667435 491263749 /nfs/dbraw/zinc/26/37/49/491263749.db2.gz JMGGEJZSHZEOMP-CVEARBPZSA-N 2 2 368.522 0.402 10 0 FCAELP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000416300259 489579287 /nfs/dbraw/zinc/57/92/87/489579287.db2.gz SZUYFGRAXZSZQW-RTBURBONSA-N 2 2 374.529 0.718 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000416300259 489579292 /nfs/dbraw/zinc/57/92/92/489579292.db2.gz SZUYFGRAXZSZQW-RTBURBONSA-N 2 2 374.529 0.718 10 0 FCAELP C[C@@H]1CN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)[C@@H](C)C[N@@H+]1CCO ZINC000416297549 489579857 /nfs/dbraw/zinc/57/98/57/489579857.db2.gz PUARCGVJZXMXQA-MSOLQXFVSA-N 2 2 374.529 0.961 10 0 FCAELP C[C@@H]1CN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)[C@@H](C)C[N@H+]1CCO ZINC000416297549 489579858 /nfs/dbraw/zinc/57/98/58/489579858.db2.gz PUARCGVJZXMXQA-MSOLQXFVSA-N 2 2 374.529 0.961 10 0 FCAELP C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)[C@@H](C)C[N@@H+]1CCO ZINC000416297549 489579860 /nfs/dbraw/zinc/57/98/60/489579860.db2.gz PUARCGVJZXMXQA-MSOLQXFVSA-N 2 2 374.529 0.961 10 0 FCAELP C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)[C@@H](C)C[N@H+]1CCO ZINC000416297549 489579862 /nfs/dbraw/zinc/57/98/62/489579862.db2.gz PUARCGVJZXMXQA-MSOLQXFVSA-N 2 2 374.529 0.961 10 0 FCAELP COCC(COC)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000455431399 489593067 /nfs/dbraw/zinc/59/30/67/489593067.db2.gz SFYMTXGTIUARFD-SJPCQFCGSA-N 2 2 354.495 0.600 10 0 FCAELP COCC(COC)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000455431399 489593068 /nfs/dbraw/zinc/59/30/68/489593068.db2.gz SFYMTXGTIUARFD-SJPCQFCGSA-N 2 2 354.495 0.600 10 0 FCAELP [NH3+][C@@H](CNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)c1ccccc1 ZINC000417706105 489662070 /nfs/dbraw/zinc/66/20/70/489662070.db2.gz MVIPQMMENDTURM-SFHVURJKSA-N 2 2 373.501 0.930 10 0 FCAELP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373176184 489676237 /nfs/dbraw/zinc/67/62/37/489676237.db2.gz KAZLNUQNGUTSNS-CABCVRRESA-N 2 2 353.511 0.709 10 0 FCAELP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373176184 489676240 /nfs/dbraw/zinc/67/62/40/489676240.db2.gz KAZLNUQNGUTSNS-CABCVRRESA-N 2 2 353.511 0.709 10 0 FCAELP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000418458142 489700313 /nfs/dbraw/zinc/70/03/13/489700313.db2.gz WNJOWYXDGULRDC-QGZVFWFLSA-N 2 2 361.490 0.882 10 0 FCAELP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000418709092 489719526 /nfs/dbraw/zinc/71/95/26/489719526.db2.gz URFHZQMGIDQQHN-KBPBESRZSA-N 2 2 365.453 0.618 10 0 FCAELP [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)C1 ZINC000418813967 489735727 /nfs/dbraw/zinc/73/57/27/489735727.db2.gz ZEACREQCDGEVLD-CHWSQXEVSA-N 2 2 366.412 0.605 10 0 FCAELP [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)C1 ZINC000418813967 489735730 /nfs/dbraw/zinc/73/57/30/489735730.db2.gz ZEACREQCDGEVLD-CHWSQXEVSA-N 2 2 366.412 0.605 10 0 FCAELP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000418825740 489741602 /nfs/dbraw/zinc/74/16/02/489741602.db2.gz UXHQCLSROOREOU-PBHICJAKSA-N 2 2 370.457 0.512 10 0 FCAELP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418830669 489743015 /nfs/dbraw/zinc/74/30/15/489743015.db2.gz JNQNTGJVBBSOFW-NJAFHUGGSA-N 2 2 374.485 0.118 10 0 FCAELP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418830669 489743021 /nfs/dbraw/zinc/74/30/21/489743021.db2.gz JNQNTGJVBBSOFW-NJAFHUGGSA-N 2 2 374.485 0.118 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@](O)(CO)C2)CC1 ZINC000459652762 489746546 /nfs/dbraw/zinc/74/65/46/489746546.db2.gz WYDBHKHXNZZVOS-XLIONFOSSA-N 2 2 361.486 0.711 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@](O)(CO)C2)CC1 ZINC000459652762 489746550 /nfs/dbraw/zinc/74/65/50/489746550.db2.gz WYDBHKHXNZZVOS-XLIONFOSSA-N 2 2 361.486 0.711 10 0 FCAELP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418835087 489747023 /nfs/dbraw/zinc/74/70/23/489747023.db2.gz NHWWIIOXWVFTJO-OWCLPIDISA-N 2 2 360.458 0.886 10 0 FCAELP COCC[NH+]1CCN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000459881178 489779335 /nfs/dbraw/zinc/77/93/35/489779335.db2.gz BAOUXAOWYRDUPY-UHFFFAOYSA-N 2 2 366.506 0.111 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000418899111 489781140 /nfs/dbraw/zinc/78/11/40/489781140.db2.gz BMAURERCPISJOI-CABCVRRESA-N 2 2 350.850 0.633 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000418899111 489781142 /nfs/dbraw/zinc/78/11/42/489781142.db2.gz BMAURERCPISJOI-CABCVRRESA-N 2 2 350.850 0.633 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC([NH3+])CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418900560 489781673 /nfs/dbraw/zinc/78/16/73/489781673.db2.gz DHAFJLRCDZMBIK-HOTGVXAUSA-N 2 2 366.412 0.776 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC([NH3+])CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418900560 489781675 /nfs/dbraw/zinc/78/16/75/489781675.db2.gz DHAFJLRCDZMBIK-HOTGVXAUSA-N 2 2 366.412 0.776 10 0 FCAELP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418905212 489783799 /nfs/dbraw/zinc/78/37/99/489783799.db2.gz JRTYZQAFOKZMSH-LYRGGWFBSA-N 2 2 368.428 0.940 10 0 FCAELP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418905212 489783803 /nfs/dbraw/zinc/78/38/03/489783803.db2.gz JRTYZQAFOKZMSH-LYRGGWFBSA-N 2 2 368.428 0.940 10 0 FCAELP C[NH2+]CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418904146 489783861 /nfs/dbraw/zinc/78/38/61/489783861.db2.gz IVDDKADNEDQANT-CABCVRRESA-N 2 2 354.401 0.552 10 0 FCAELP C[NH2+]CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418904146 489783865 /nfs/dbraw/zinc/78/38/65/489783865.db2.gz IVDDKADNEDQANT-CABCVRRESA-N 2 2 354.401 0.552 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000418905229 489784389 /nfs/dbraw/zinc/78/43/89/489784389.db2.gz JTVNBUFEKPGTNC-UONOGXRCSA-N 2 2 354.401 0.680 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000418905229 489784393 /nfs/dbraw/zinc/78/43/93/489784393.db2.gz JTVNBUFEKPGTNC-UONOGXRCSA-N 2 2 354.401 0.680 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000418907824 489785251 /nfs/dbraw/zinc/78/52/51/489785251.db2.gz MIMUSRAJLGCBFL-LSDHHAIUSA-N 2 2 366.412 0.824 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000418907824 489785255 /nfs/dbraw/zinc/78/52/55/489785255.db2.gz MIMUSRAJLGCBFL-LSDHHAIUSA-N 2 2 366.412 0.824 10 0 FCAELP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000418911359 489786464 /nfs/dbraw/zinc/78/64/64/489786464.db2.gz PVCRFWCFCSFIMX-UHOFOFEASA-N 2 2 366.412 0.647 10 0 FCAELP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000418911359 489786469 /nfs/dbraw/zinc/78/64/69/489786469.db2.gz PVCRFWCFCSFIMX-UHOFOFEASA-N 2 2 366.412 0.647 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000418910107 489786890 /nfs/dbraw/zinc/78/68/90/489786890.db2.gz OPYQLZGKGBJAAT-XFBWCDHKSA-N 2 2 366.412 0.633 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000418910107 489786894 /nfs/dbraw/zinc/78/68/94/489786894.db2.gz OPYQLZGKGBJAAT-XFBWCDHKSA-N 2 2 366.412 0.633 10 0 FCAELP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000418913694 489788313 /nfs/dbraw/zinc/78/83/13/489788313.db2.gz SRWGLYQERKWVPW-DFBGVHRSSA-N 2 2 352.866 0.912 10 0 FCAELP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000418913694 489788317 /nfs/dbraw/zinc/78/83/17/489788317.db2.gz SRWGLYQERKWVPW-DFBGVHRSSA-N 2 2 352.866 0.912 10 0 FCAELP CC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000418914156 489788774 /nfs/dbraw/zinc/78/87/74/489788774.db2.gz SZJXBNCXEVWEMV-LSDHHAIUSA-N 2 2 352.866 0.927 10 0 FCAELP CC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000418914156 489788781 /nfs/dbraw/zinc/78/87/81/489788781.db2.gz SZJXBNCXEVWEMV-LSDHHAIUSA-N 2 2 352.866 0.927 10 0 FCAELP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418916171 489790039 /nfs/dbraw/zinc/79/00/39/489790039.db2.gz WITHLDFNHWNYDC-KMUNFCNLSA-N 2 2 354.401 0.632 10 0 FCAELP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418916171 489790041 /nfs/dbraw/zinc/79/00/41/489790041.db2.gz WITHLDFNHWNYDC-KMUNFCNLSA-N 2 2 354.401 0.632 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418916738 489790401 /nfs/dbraw/zinc/79/04/01/489790401.db2.gz XHMXCMYTRHMNID-CQDKDKBSSA-N 2 2 352.385 0.386 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418916738 489790405 /nfs/dbraw/zinc/79/04/05/489790405.db2.gz XHMXCMYTRHMNID-CQDKDKBSSA-N 2 2 352.385 0.386 10 0 FCAELP CO[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC000459993888 489811560 /nfs/dbraw/zinc/81/15/60/489811560.db2.gz UDQHDSQSDDZUIK-DOTOQJQBSA-N 2 2 368.522 0.354 10 0 FCAELP CO[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC000459993888 489811565 /nfs/dbraw/zinc/81/15/65/489811565.db2.gz UDQHDSQSDDZUIK-DOTOQJQBSA-N 2 2 368.522 0.354 10 0 FCAELP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000419034420 489827568 /nfs/dbraw/zinc/82/75/68/489827568.db2.gz ZNBHFRFYRFUUGJ-WFASDCNBSA-N 2 2 359.405 0.742 10 0 FCAELP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000419069116 489843546 /nfs/dbraw/zinc/84/35/46/489843546.db2.gz FVPSJKQCHWKQAB-WQVCFCJDSA-N 2 2 373.432 0.879 10 0 FCAELP CC(C)[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCCCC1)[NH+]1CCOCC1 ZINC000419112458 489859729 /nfs/dbraw/zinc/85/97/29/489859729.db2.gz FSELGXMBBWEABH-MRXNPFEDSA-N 2 2 368.522 0.627 10 0 FCAELP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000419124836 489867856 /nfs/dbraw/zinc/86/78/56/489867856.db2.gz YDWOIOSKGJWSMF-ZBFHGGJFSA-N 2 2 359.474 0.802 10 0 FCAELP CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)CNC(=O)C[NH3+] ZINC000571093228 491285816 /nfs/dbraw/zinc/28/58/16/491285816.db2.gz IVMKZBDQBYCQNR-PBHICJAKSA-N 2 2 361.490 0.524 10 0 FCAELP CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CNC(=O)C[NH3+] ZINC000571093228 491285818 /nfs/dbraw/zinc/28/58/18/491285818.db2.gz IVMKZBDQBYCQNR-PBHICJAKSA-N 2 2 361.490 0.524 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000420075708 489904765 /nfs/dbraw/zinc/90/47/65/489904765.db2.gz TZLFHLSGDQCAAF-MRXNPFEDSA-N 2 2 359.474 0.672 10 0 FCAELP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000420130517 489924123 /nfs/dbraw/zinc/92/41/23/489924123.db2.gz QLFNVJDJXSDBQY-MAUKXSAKSA-N 2 2 374.485 0.646 10 0 FCAELP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000556085138 491293414 /nfs/dbraw/zinc/29/34/14/491293414.db2.gz MAMVOMKNJCXERL-UHFFFAOYSA-N 2 2 358.446 0.817 10 0 FCAELP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420351640 489966758 /nfs/dbraw/zinc/96/67/58/489966758.db2.gz AATVCTYZJYHKJG-SUMWQHHRSA-N 2 2 366.487 0.737 10 0 FCAELP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420351640 489966761 /nfs/dbraw/zinc/96/67/61/489966761.db2.gz AATVCTYZJYHKJG-SUMWQHHRSA-N 2 2 366.487 0.737 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000556096095 491294267 /nfs/dbraw/zinc/29/42/67/491294267.db2.gz PJBVDCPAGFUREH-UHFFFAOYSA-N 2 2 359.474 0.754 10 0 FCAELP O=C(C[N@@H+]1CC[C@]12CCOC2)NCc1ccccc1C[NH+]1CCOCC1 ZINC000421015942 490042517 /nfs/dbraw/zinc/04/25/17/490042517.db2.gz ITCKJKCCUZPCSM-HXUWFJFHSA-N 2 2 359.470 1.000 10 0 FCAELP O=C(C[N@H+]1CC[C@]12CCOC2)NCc1ccccc1C[NH+]1CCOCC1 ZINC000421015942 490042524 /nfs/dbraw/zinc/04/25/24/490042524.db2.gz ITCKJKCCUZPCSM-HXUWFJFHSA-N 2 2 359.470 1.000 10 0 FCAELP C[C@@H]1CC[C@@H](O)C[N@@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000421028632 490043625 /nfs/dbraw/zinc/04/36/25/490043625.db2.gz WKTFYEPAAZVMGN-VQIMIIECSA-N 2 2 361.486 0.980 10 0 FCAELP C[C@@H]1CC[C@@H](O)C[N@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000421028632 490043630 /nfs/dbraw/zinc/04/36/30/490043630.db2.gz WKTFYEPAAZVMGN-VQIMIIECSA-N 2 2 361.486 0.980 10 0 FCAELP CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000479557135 490102275 /nfs/dbraw/zinc/10/22/75/490102275.db2.gz NMRKELHMKUPBDF-MRXNPFEDSA-N 2 2 372.535 0.133 10 0 FCAELP CS(=O)(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000479557135 490102282 /nfs/dbraw/zinc/10/22/82/490102282.db2.gz NMRKELHMKUPBDF-MRXNPFEDSA-N 2 2 372.535 0.133 10 0 FCAELP CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000532732168 490102549 /nfs/dbraw/zinc/10/25/49/490102549.db2.gz PCTGNGAAIYTQDQ-CYBMUJFWSA-N 2 2 363.466 0.287 10 0 FCAELP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000520230259 490118990 /nfs/dbraw/zinc/11/89/90/490118990.db2.gz IXQSBIHYHUOWRH-MSOLQXFVSA-N 2 2 365.474 0.821 10 0 FCAELP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1 ZINC000520230259 490118996 /nfs/dbraw/zinc/11/89/96/490118996.db2.gz IXQSBIHYHUOWRH-MSOLQXFVSA-N 2 2 365.474 0.821 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000564346654 491302362 /nfs/dbraw/zinc/30/23/62/491302362.db2.gz FEIHHKKTWTVXJK-UYAOXDASSA-N 3 2 366.550 0.877 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000564346654 491302364 /nfs/dbraw/zinc/30/23/64/491302364.db2.gz FEIHHKKTWTVXJK-UYAOXDASSA-N 3 2 366.550 0.877 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000564346654 491302366 /nfs/dbraw/zinc/30/23/66/491302366.db2.gz FEIHHKKTWTVXJK-UYAOXDASSA-N 3 2 366.550 0.877 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000564346654 491302369 /nfs/dbraw/zinc/30/23/69/491302369.db2.gz FEIHHKKTWTVXJK-UYAOXDASSA-N 3 2 366.550 0.877 10 0 FCAELP CCC[N@H+](CC)CCNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000497484829 490168306 /nfs/dbraw/zinc/16/83/06/490168306.db2.gz QNIHVBBJOGTLDJ-UHFFFAOYSA-N 2 2 367.538 0.962 10 0 FCAELP CCC[N@@H+](CC)CCNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000497484829 490168308 /nfs/dbraw/zinc/16/83/08/490168308.db2.gz QNIHVBBJOGTLDJ-UHFFFAOYSA-N 2 2 367.538 0.962 10 0 FCAELP [NH3+]CCc1ccccc1C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000564461803 491308219 /nfs/dbraw/zinc/30/82/19/491308219.db2.gz IJLWTCVSBNIGIB-UHFFFAOYSA-N 2 2 358.486 0.958 10 0 FCAELP [NH3+]CCc1ccccc1C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000564461803 491308221 /nfs/dbraw/zinc/30/82/21/491308221.db2.gz IJLWTCVSBNIGIB-UHFFFAOYSA-N 2 2 358.486 0.958 10 0 FCAELP C[C@H](CNC(=O)C(=O)NCCc1cn(C)c[nH+]1)[N@H+](C)Cc1ccccc1 ZINC000422317556 490253968 /nfs/dbraw/zinc/25/39/68/490253968.db2.gz OHEVZBBOIKMECD-OAHLLOKOSA-N 2 2 357.458 0.716 10 0 FCAELP C[C@H](CNC(=O)C(=O)NCCc1cn(C)c[nH+]1)[N@@H+](C)Cc1ccccc1 ZINC000422317556 490253977 /nfs/dbraw/zinc/25/39/77/490253977.db2.gz OHEVZBBOIKMECD-OAHLLOKOSA-N 2 2 357.458 0.716 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000467755243 490337334 /nfs/dbraw/zinc/33/73/34/490337334.db2.gz AVERRGWZTBBRAG-MRXNPFEDSA-N 2 2 359.474 0.449 10 0 FCAELP COc1nccnc1C[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000449216599 490404488 /nfs/dbraw/zinc/40/44/88/490404488.db2.gz UACMDWRHYWESOC-INIZCTEOSA-N 2 2 357.458 0.864 10 0 FCAELP COC(=O)c1cnoc1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000509393706 490423406 /nfs/dbraw/zinc/42/34/06/490423406.db2.gz REUXMCQIONPWPR-UHFFFAOYSA-N 2 2 364.446 0.837 10 0 FCAELP O[C@H](C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)COc1ccc2c(c1)OCO2 ZINC000422893497 490492492 /nfs/dbraw/zinc/49/24/92/490492492.db2.gz AASMTYAGLANLCN-FSPWUOQZSA-N 2 2 350.415 0.512 10 0 FCAELP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C)CC1 ZINC000500393561 490510904 /nfs/dbraw/zinc/51/09/04/490510904.db2.gz MORHTAIBKRNASN-GOEBONIOSA-N 2 2 358.527 0.470 10 0 FCAELP O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000423012305 490517856 /nfs/dbraw/zinc/51/78/56/490517856.db2.gz CWGNKDYVLQKSIT-GOEBONIOSA-N 2 2 362.499 0.603 10 0 FCAELP O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000423012304 490517890 /nfs/dbraw/zinc/51/78/90/490517890.db2.gz CWGNKDYVLQKSIT-GDBMZVCRSA-N 2 2 362.499 0.603 10 0 FCAELP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000535761403 490524556 /nfs/dbraw/zinc/52/45/56/490524556.db2.gz WLLRFAJNUOKSBM-INIZCTEOSA-N 2 2 360.506 0.199 10 0 FCAELP C[C@@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ncn(C)n1 ZINC000548693897 490530428 /nfs/dbraw/zinc/53/04/28/490530428.db2.gz CJFCAZVRXCUDDN-JZWPEALZSA-N 2 2 361.494 0.829 10 0 FCAELP C[C@@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1ncn(C)n1 ZINC000548693897 490530434 /nfs/dbraw/zinc/53/04/34/490530434.db2.gz CJFCAZVRXCUDDN-JZWPEALZSA-N 2 2 361.494 0.829 10 0 FCAELP C[C@H](CNC(=O)CN1CC[NH+](Cc2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000511041202 490557033 /nfs/dbraw/zinc/55/70/33/490557033.db2.gz WEIZKEVVWPWSKZ-LJQANCHMSA-N 2 2 373.545 0.556 10 0 FCAELP CN(C)S(=O)(=O)[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000511097498 490561861 /nfs/dbraw/zinc/56/18/61/490561861.db2.gz VXYGXVVASOONKM-INIZCTEOSA-N 2 2 372.535 0.085 10 0 FCAELP CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000511097498 490561864 /nfs/dbraw/zinc/56/18/64/490561864.db2.gz VXYGXVVASOONKM-INIZCTEOSA-N 2 2 372.535 0.085 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)COC3CCC([NH3+])CC3)CC2)CC1 ZINC000564914324 491336052 /nfs/dbraw/zinc/33/60/52/491336052.db2.gz BEXCANRYTUDNHH-UHFFFAOYSA-N 3 2 352.523 0.948 10 0 FCAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@]3(CNC(=O)C3)C2)CC1 ZINC000536229653 490562847 /nfs/dbraw/zinc/56/28/47/490562847.db2.gz YSCHNFTVYCTNOW-SFHVURJKSA-N 2 2 351.495 0.324 10 0 FCAELP C[C@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)N1C(=O)CCC1=O ZINC000525165215 490580388 /nfs/dbraw/zinc/58/03/88/490580388.db2.gz HOUKGIAGLIPIEV-OAHLLOKOSA-N 2 2 364.490 0.590 10 0 FCAELP Cc1c[nH+]ccc1N1CCC(C(=O)NCCC[N@@H+]2CCNC(=O)C2)CC1 ZINC000536545748 490590725 /nfs/dbraw/zinc/59/07/25/490590725.db2.gz YUXWXTUHFCDBFI-UHFFFAOYSA-N 2 2 359.474 0.545 10 0 FCAELP Cc1c[nH+]ccc1N1CCC(C(=O)NCCC[N@H+]2CCNC(=O)C2)CC1 ZINC000536545748 490590732 /nfs/dbraw/zinc/59/07/32/490590732.db2.gz YUXWXTUHFCDBFI-UHFFFAOYSA-N 2 2 359.474 0.545 10 0 FCAELP C[NH+]1CCN(c2cc[nH+]cc2NS(=O)(=O)c2cnc3n2CCC3)CC1 ZINC000526115007 490675560 /nfs/dbraw/zinc/67/55/60/490675560.db2.gz BCXZJPXMNJSTDH-UHFFFAOYSA-N 2 2 362.459 0.777 10 0 FCAELP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000550574658 490677375 /nfs/dbraw/zinc/67/73/75/490677375.db2.gz GVWKFKIQBAVRSL-GJZGRUSLSA-N 2 2 366.506 0.297 10 0 FCAELP C[NH+]1CCC(CNC(=O)N2CC[C@@](C)(C(N)=O)C2)([NH+]2CCCCC2)CC1 ZINC000527513747 490732265 /nfs/dbraw/zinc/73/22/65/490732265.db2.gz NSELRXZTUUCMJH-GOSISDBHSA-N 2 2 365.522 0.844 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)NC[C@H](C)C[NH+]3CCOCC3)ccc2[nH+]1 ZINC000539181942 490766952 /nfs/dbraw/zinc/76/69/52/490766952.db2.gz WIERGGKDMVGCSD-ZDUSSCGKSA-N 2 2 359.430 0.666 10 0 FCAELP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000565166144 491357286 /nfs/dbraw/zinc/35/72/86/491357286.db2.gz UDTSEHDGAAYLQS-HNNXBMFYSA-N 2 2 366.458 0.980 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000515386402 490823597 /nfs/dbraw/zinc/82/35/97/490823597.db2.gz MBWLNBBWVLZBNN-XWTMOSNGSA-N 3 2 352.523 0.519 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000515386402 490823598 /nfs/dbraw/zinc/82/35/98/490823598.db2.gz MBWLNBBWVLZBNN-XWTMOSNGSA-N 3 2 352.523 0.519 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000515386402 490823600 /nfs/dbraw/zinc/82/36/00/490823600.db2.gz MBWLNBBWVLZBNN-XWTMOSNGSA-N 3 2 352.523 0.519 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000515386402 490823602 /nfs/dbraw/zinc/82/36/02/490823602.db2.gz MBWLNBBWVLZBNN-XWTMOSNGSA-N 3 2 352.523 0.519 10 0 FCAELP COCC[N@H+](C)CCCNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000540480785 490825223 /nfs/dbraw/zinc/82/52/23/490825223.db2.gz DGQWNXOPMKBCMA-UHFFFAOYSA-N 2 2 350.463 0.612 10 0 FCAELP COCC[N@@H+](C)CCCNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000540480785 490825224 /nfs/dbraw/zinc/82/52/24/490825224.db2.gz DGQWNXOPMKBCMA-UHFFFAOYSA-N 2 2 350.463 0.612 10 0 FCAELP COc1c[nH+]ccc1N1CC[NH+](CCn2nc3ccccn3c2=O)CC1 ZINC000515602437 490833143 /nfs/dbraw/zinc/83/31/43/490833143.db2.gz WVROVHXNPCBBSK-UHFFFAOYSA-N 2 2 354.414 0.722 10 0 FCAELP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000515666017 490835197 /nfs/dbraw/zinc/83/51/97/490835197.db2.gz AUZDVEIUXMBEHB-IBGZPJMESA-N 2 2 363.502 0.954 10 0 FCAELP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000515666017 490835199 /nfs/dbraw/zinc/83/51/99/490835199.db2.gz AUZDVEIUXMBEHB-IBGZPJMESA-N 2 2 363.502 0.954 10 0 FCAELP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529300209 490848645 /nfs/dbraw/zinc/84/86/45/490848645.db2.gz ACSNHXXZPPHAJG-RDJZCZTQSA-N 2 2 354.495 0.507 10 0 FCAELP C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529300209 490848647 /nfs/dbraw/zinc/84/86/47/490848647.db2.gz ACSNHXXZPPHAJG-RDJZCZTQSA-N 2 2 354.495 0.507 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2COCC[NH2+]2)[C@H]1c1ccc(F)c(F)c1 ZINC000529322752 490852369 /nfs/dbraw/zinc/85/23/69/490852369.db2.gz RAPSNHKKWVJTDB-VBNZEHGJSA-N 2 2 354.401 0.998 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)NC[C@H]2COCC[NH2+]2)[C@H]1c1ccc(F)c(F)c1 ZINC000529322752 490852371 /nfs/dbraw/zinc/85/23/71/490852371.db2.gz RAPSNHKKWVJTDB-VBNZEHGJSA-N 2 2 354.401 0.998 10 0 FCAELP O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000542021316 490882176 /nfs/dbraw/zinc/88/21/76/490882176.db2.gz BIPOULKSLKYICH-FQEVSTJZSA-N 2 2 373.497 0.995 10 0 FCAELP O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000542021316 490882179 /nfs/dbraw/zinc/88/21/79/490882179.db2.gz BIPOULKSLKYICH-FQEVSTJZSA-N 2 2 373.497 0.995 10 0 FCAELP O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000542021318 490882396 /nfs/dbraw/zinc/88/23/96/490882396.db2.gz BIPOULKSLKYICH-HXUWFJFHSA-N 2 2 373.497 0.995 10 0 FCAELP O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000542021318 490882398 /nfs/dbraw/zinc/88/23/98/490882398.db2.gz BIPOULKSLKYICH-HXUWFJFHSA-N 2 2 373.497 0.995 10 0 FCAELP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000542087092 490885170 /nfs/dbraw/zinc/88/51/70/490885170.db2.gz CRFGVFBRIKAUGP-BRWVUGGUSA-N 2 2 351.491 0.951 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1=O ZINC000542130346 490887170 /nfs/dbraw/zinc/88/71/70/490887170.db2.gz SGSYDTYWDQSRMI-HOTGVXAUSA-N 2 2 372.473 0.567 10 0 FCAELP CO[C@@H]1COC[C@H]1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000517027221 490891327 /nfs/dbraw/zinc/89/13/27/490891327.db2.gz NULAITHRPKWWNB-PFUJJPPESA-N 2 2 352.479 0.353 10 0 FCAELP CO[C@@H]1COC[C@H]1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000517027221 490891330 /nfs/dbraw/zinc/89/13/30/490891330.db2.gz NULAITHRPKWWNB-PFUJJPPESA-N 2 2 352.479 0.353 10 0 FCAELP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530225511 490893522 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10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+][C@H](Cc2ccc(F)cc2)C(N)=O)C1=O ZINC000544071775 490956494 /nfs/dbraw/zinc/95/64/94/490956494.db2.gz WXSPFWSBYISRQD-HZPDHXFCSA-N 2 2 373.432 0.736 10 0 FCAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000518979627 490957517 /nfs/dbraw/zinc/95/75/17/490957517.db2.gz PIGMXBSBGYNEAC-HUUCEWRRSA-N 2 2 352.431 0.591 10 0 FCAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000518979627 490957518 /nfs/dbraw/zinc/95/75/18/490957518.db2.gz PIGMXBSBGYNEAC-HUUCEWRRSA-N 2 2 352.431 0.591 10 0 FCAELP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000518980161 490958001 /nfs/dbraw/zinc/95/80/01/490958001.db2.gz IJRDDOYIWBCLPW-SFHVURJKSA-N 2 2 356.474 0.976 10 0 FCAELP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000518980161 490958004 /nfs/dbraw/zinc/95/80/04/490958004.db2.gz IJRDDOYIWBCLPW-SFHVURJKSA-N 2 2 356.474 0.976 10 0 FCAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000531676698 490970373 /nfs/dbraw/zinc/97/03/73/490970373.db2.gz OXZROUCLYUJGTD-PBHICJAKSA-N 2 2 353.488 0.747 10 0 FCAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000531676698 490970375 /nfs/dbraw/zinc/97/03/75/490970375.db2.gz OXZROUCLYUJGTD-PBHICJAKSA-N 2 2 353.488 0.747 10 0 FCAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000531676700 490970397 /nfs/dbraw/zinc/97/03/97/490970397.db2.gz OXZROUCLYUJGTD-WMLDXEAASA-N 2 2 353.488 0.747 10 0 FCAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000531676700 490970400 /nfs/dbraw/zinc/97/04/00/490970400.db2.gz OXZROUCLYUJGTD-WMLDXEAASA-N 2 2 353.488 0.747 10 0 FCAELP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000544527820 490971181 /nfs/dbraw/zinc/97/11/81/490971181.db2.gz BAPLTCIPORPKTH-MISYRCLQSA-N 2 2 372.513 0.782 10 0 FCAELP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000544527820 490971183 /nfs/dbraw/zinc/97/11/83/490971183.db2.gz BAPLTCIPORPKTH-MISYRCLQSA-N 2 2 372.513 0.782 10 0 FCAELP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCN2CCOC[C@H]2C1 ZINC000544527820 490971184 /nfs/dbraw/zinc/97/11/84/490971184.db2.gz BAPLTCIPORPKTH-MISYRCLQSA-N 2 2 372.513 0.782 10 0 FCAELP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCN2CCOC[C@H]2C1 ZINC000544527820 490971186 /nfs/dbraw/zinc/97/11/86/490971186.db2.gz BAPLTCIPORPKTH-MISYRCLQSA-N 2 2 372.513 0.782 10 0 FCAELP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1 ZINC000595620961 491945572 /nfs/dbraw/zinc/94/55/72/491945572.db2.gz JTUUCCLTQCXZHB-AGIUHOORSA-N 2 2 356.385 0.599 10 0 FCAELP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1 ZINC000595620961 491945573 /nfs/dbraw/zinc/94/55/73/491945573.db2.gz JTUUCCLTQCXZHB-AGIUHOORSA-N 2 2 356.385 0.599 10 0 FCAELP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1 ZINC000595620961 491945574 /nfs/dbraw/zinc/94/55/74/491945574.db2.gz JTUUCCLTQCXZHB-AGIUHOORSA-N 2 2 356.385 0.599 10 0 FCAELP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1 ZINC000595620961 491945576 /nfs/dbraw/zinc/94/55/76/491945576.db2.gz JTUUCCLTQCXZHB-AGIUHOORSA-N 2 2 356.385 0.599 10 0 FCAELP CC[NH+](CC)CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000569622639 491175278 /nfs/dbraw/zinc/17/52/78/491175278.db2.gz ZZYGJOIJVKICDV-HZPDHXFCSA-N 2 2 359.536 0.686 10 0 FCAELP CC[NH+](CC)CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000569622639 491175279 /nfs/dbraw/zinc/17/52/79/491175279.db2.gz ZZYGJOIJVKICDV-HZPDHXFCSA-N 2 2 359.536 0.686 10 0 FCAELP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000565320560 491369595 /nfs/dbraw/zinc/36/95/95/491369595.db2.gz DQDYILDXSDRMFL-LLVKDONJSA-N 2 2 361.368 0.662 10 0 FCAELP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000565320560 491369596 /nfs/dbraw/zinc/36/95/96/491369596.db2.gz DQDYILDXSDRMFL-LLVKDONJSA-N 2 2 361.368 0.662 10 0 FCAELP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000565320567 491369764 /nfs/dbraw/zinc/36/97/64/491369764.db2.gz DQDYILDXSDRMFL-NSHDSACASA-N 2 2 361.368 0.662 10 0 FCAELP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000565320567 491369765 /nfs/dbraw/zinc/36/97/65/491369765.db2.gz DQDYILDXSDRMFL-NSHDSACASA-N 2 2 361.368 0.662 10 0 FCAELP O=C(N[C@H]1CCn2cc[nH+]c2C1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000572562277 491378738 /nfs/dbraw/zinc/37/87/38/491378738.db2.gz DLYVZVFOMNYXOV-INIZCTEOSA-N 2 2 359.474 0.649 10 0 FCAELP CC[NH+](CC)CCS(=O)(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000565566742 491385987 /nfs/dbraw/zinc/38/59/87/491385987.db2.gz PADHLBDICZQHRL-IAGOWNOFSA-N 2 2 360.568 0.616 10 0 FCAELP CC[NH+](CC)CCS(=O)(=O)N1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000565566742 491385989 /nfs/dbraw/zinc/38/59/89/491385989.db2.gz PADHLBDICZQHRL-IAGOWNOFSA-N 2 2 360.568 0.616 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000572875627 491399286 /nfs/dbraw/zinc/39/92/86/491399286.db2.gz QUVITGYRHKSOMX-ZOBUZTSGSA-N 2 2 366.412 0.694 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000572875627 491399288 /nfs/dbraw/zinc/39/92/88/491399288.db2.gz QUVITGYRHKSOMX-ZOBUZTSGSA-N 2 2 366.412 0.694 10 0 FCAELP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](CO)C[NH+]2CCOCC2)CC1 ZINC000566137295 491419692 /nfs/dbraw/zinc/41/96/92/491419692.db2.gz IZLGUVQXNBJPHR-KRWDZBQOSA-N 2 2 362.474 0.416 10 0 FCAELP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000558228872 491421271 /nfs/dbraw/zinc/42/12/71/491421271.db2.gz PJAHSBVEMFFYHX-IKGGRYGDSA-N 2 2 368.522 0.593 10 0 FCAELP C[C@H]([NH3+])CCC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000566175214 491422979 /nfs/dbraw/zinc/42/29/79/491422979.db2.gz JANFGRFJGPRLAC-GJZGRUSLSA-N 2 2 362.478 0.526 10 0 FCAELP C[C@H]([NH3+])CCC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000566175214 491422981 /nfs/dbraw/zinc/42/29/81/491422981.db2.gz JANFGRFJGPRLAC-GJZGRUSLSA-N 2 2 362.478 0.526 10 0 FCAELP O=C(NCCc1cn2ccccc2[nH+]1)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567149793 491488625 /nfs/dbraw/zinc/48/86/25/491488625.db2.gz RAOILHXWGGAQTN-IBGZPJMESA-N 2 2 355.442 0.595 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000559653453 491489765 /nfs/dbraw/zinc/48/97/65/491489765.db2.gz DPCAIWTUYUCFKC-UHFFFAOYSA-N 3 2 372.473 0.757 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000559653453 491489767 /nfs/dbraw/zinc/48/97/67/491489767.db2.gz DPCAIWTUYUCFKC-UHFFFAOYSA-N 3 2 372.473 0.757 10 0 FCAELP C[NH+]1CCN(C[C@H](O)C[NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000574392864 491493178 /nfs/dbraw/zinc/49/31/78/491493178.db2.gz JLXNZCNNNPTDAF-HXUWFJFHSA-N 3 2 364.509 0.988 10 0 FCAELP C[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)[C@@H](C[NH3+])C1 ZINC000567500280 491510543 /nfs/dbraw/zinc/51/05/43/491510543.db2.gz 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492190646 /nfs/dbraw/zinc/19/06/46/492190646.db2.gz UCFWAEXMBODWEO-UHFFFAOYSA-N 2 2 360.462 0.181 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCn1nnc2ccccc2c1=O ZINC000617768200 492190648 /nfs/dbraw/zinc/19/06/48/492190648.db2.gz UCFWAEXMBODWEO-UHFFFAOYSA-N 2 2 360.462 0.181 10 0 FCAELP CNS(=O)(=O)c1cccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000617768518 492190713 /nfs/dbraw/zinc/19/07/13/492190713.db2.gz HOYPEEXOYHNXCV-UHFFFAOYSA-N 2 2 356.492 0.208 10 0 FCAELP CNS(=O)(=O)c1cccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000617768518 492190714 /nfs/dbraw/zinc/19/07/14/492190714.db2.gz HOYPEEXOYHNXCV-UHFFFAOYSA-N 2 2 356.492 0.208 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 ZINC000617766864 492190847 /nfs/dbraw/zinc/19/08/47/492190847.db2.gz XEVBEFSCUXTAPW-UHFFFAOYSA-N 2 2 372.473 0.585 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 ZINC000617766864 492190849 /nfs/dbraw/zinc/19/08/49/492190849.db2.gz XEVBEFSCUXTAPW-UHFFFAOYSA-N 2 2 372.473 0.585 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000617768749 492191324 /nfs/dbraw/zinc/19/13/24/492191324.db2.gz SUSVRWRKPKUHCV-HOTGVXAUSA-N 2 2 366.506 0.551 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000617768749 492191327 /nfs/dbraw/zinc/19/13/27/492191327.db2.gz SUSVRWRKPKUHCV-HOTGVXAUSA-N 2 2 366.506 0.551 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cn1nc(-c2ccccc2)oc1=O ZINC000617768727 492191517 /nfs/dbraw/zinc/19/15/17/492191517.db2.gz ROSWPZQZRPYZCI-UHFFFAOYSA-N 2 2 361.446 0.503 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cn1nc(-c2ccccc2)oc1=O ZINC000617768727 492191519 /nfs/dbraw/zinc/19/15/19/492191519.db2.gz ROSWPZQZRPYZCI-UHFFFAOYSA-N 2 2 361.446 0.503 10 0 FCAELP Cc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc(S(N)(=O)=O)c1C ZINC000617768742 492191623 /nfs/dbraw/zinc/19/16/23/492191623.db2.gz SKAQHKBREFNSBO-UHFFFAOYSA-N 2 2 370.519 0.564 10 0 FCAELP Cc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc(S(N)(=O)=O)c1C ZINC000617768742 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BYHWSNBXHIDCGZ-QRVBRYPASA-N 2 2 368.566 0.870 10 0 FCAELP C[C@H](C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655801870 492481081 /nfs/dbraw/zinc/48/10/81/492481081.db2.gz BYHWSNBXHIDCGZ-QRVBRYPASA-N 2 2 368.566 0.870 10 0 FCAELP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000643509180 492484634 /nfs/dbraw/zinc/48/46/34/492484634.db2.gz CPTFKTFFKXZZAK-WBVHZDCISA-N 2 2 366.506 0.286 10 0 FCAELP CC[C@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)[N@@H+]1CCO[C@H](CC)C1 ZINC000649070837 492488991 /nfs/dbraw/zinc/48/89/91/492488991.db2.gz WPJJCOVTRBLKRX-ARFHVFGLSA-N 2 2 354.495 0.454 10 0 FCAELP CC[C@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)[N@H+]1CCO[C@H](CC)C1 ZINC000649070837 492488998 /nfs/dbraw/zinc/48/89/98/492488998.db2.gz WPJJCOVTRBLKRX-ARFHVFGLSA-N 2 2 354.495 0.454 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)CS(=O)(=O)NC(C)(C)C)CC2)CC1 ZINC000622792563 492489278 /nfs/dbraw/zinc/48/92/78/492489278.db2.gz PTGDHJRACZNNOY-UHFFFAOYSA-N 2 2 374.551 0.379 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)C1=O ZINC000655923123 492489562 /nfs/dbraw/zinc/48/95/62/492489562.db2.gz UNRYFEJQMBLQLN-VHSXEESVSA-N 2 2 362.356 0.100 10 0 FCAELP CC[C@H]1CN(C(=O)C(=O)N2CCN(c3c[nH+]ccc3C)CC2)CC[C@H]1[NH3+] ZINC000643541469 492494712 /nfs/dbraw/zinc/49/47/12/492494712.db2.gz NXWGIBUNFBOBPT-JKSUJKDBSA-N 2 2 359.474 0.624 10 0 FCAELP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000655954680 492495841 /nfs/dbraw/zinc/49/58/41/492495841.db2.gz IAHQUQPLKJCMRI-KFWWJZLASA-N 2 2 362.474 0.958 10 0 FCAELP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000655954680 492495844 /nfs/dbraw/zinc/49/58/44/492495844.db2.gz IAHQUQPLKJCMRI-KFWWJZLASA-N 2 2 362.474 0.958 10 0 FCAELP C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655954608 492496161 /nfs/dbraw/zinc/49/61/61/492496161.db2.gz AMRNSMGRFUXMLA-KFWWJZLASA-N 2 2 374.485 0.885 10 0 FCAELP C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655954608 492496164 /nfs/dbraw/zinc/49/61/64/492496164.db2.gz AMRNSMGRFUXMLA-KFWWJZLASA-N 2 2 374.485 0.885 10 0 FCAELP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635730837 492498465 /nfs/dbraw/zinc/49/84/65/492498465.db2.gz MRCPCHCBEGZFMD-ZACQAIPSSA-N 2 2 369.469 0.919 10 0 FCAELP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635730837 492498468 /nfs/dbraw/zinc/49/84/68/492498468.db2.gz MRCPCHCBEGZFMD-ZACQAIPSSA-N 2 2 369.469 0.919 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656023807 492520233 /nfs/dbraw/zinc/52/02/33/492520233.db2.gz FSHDHVCBUCJWGS-NYTXWWLZSA-N 2 2 354.495 0.234 10 0 FCAELP C[C@H](C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C)[NH+]1CCSCC1 ZINC000628576854 492521244 /nfs/dbraw/zinc/52/12/44/492521244.db2.gz GZPAWFKMEBHZAH-PBHICJAKSA-N 2 2 357.520 0.156 10 0 FCAELP C[C@H](C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C)[NH+]1CCSCC1 ZINC000628576854 492521247 /nfs/dbraw/zinc/52/12/47/492521247.db2.gz GZPAWFKMEBHZAH-PBHICJAKSA-N 2 2 357.520 0.156 10 0 FCAELP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)COC2CCC([NH3+])CC2)CC1 ZINC000649283542 492521426 /nfs/dbraw/zinc/52/14/26/492521426.db2.gz KMWJPBJBTVKHIA-HLIUYOAVSA-N 2 2 352.479 0.084 10 0 FCAELP C[C@H](C(=O)NC[C@]1(CO)COCC2(CCC2)[NH+]1C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000628577572 492521627 /nfs/dbraw/zinc/52/16/27/492521627.db2.gz TUOLEIVRJHMKBO-OLMMMNRUSA-N 2 2 353.507 0.980 10 0 FCAELP C[C@H](C(=O)NC[C@]1(CO)COCC2(CCC2)[NH+]1C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000628577572 492521631 /nfs/dbraw/zinc/52/16/31/492521631.db2.gz TUOLEIVRJHMKBO-OLMMMNRUSA-N 2 2 353.507 0.980 10 0 FCAELP C[C@H](C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000628577572 492521636 /nfs/dbraw/zinc/52/16/36/492521636.db2.gz TUOLEIVRJHMKBO-OLMMMNRUSA-N 2 2 353.507 0.980 10 0 FCAELP C[C@H](C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000628577572 492521639 /nfs/dbraw/zinc/52/16/39/492521639.db2.gz TUOLEIVRJHMKBO-OLMMMNRUSA-N 2 2 353.507 0.980 10 0 FCAELP C[C@H](CNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656042831 492523759 /nfs/dbraw/zinc/52/37/59/492523759.db2.gz VSDOWLRNFZIOMR-WCVJEAGWSA-N 2 2 354.495 0.188 10 0 FCAELP C[C@H](CNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656042831 492523765 /nfs/dbraw/zinc/52/37/65/492523765.db2.gz VSDOWLRNFZIOMR-WCVJEAGWSA-N 2 2 354.495 0.188 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N(C)CC[NH+]1CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656066682 492529813 /nfs/dbraw/zinc/52/98/13/492529813.db2.gz ASSSTBLLWFOLDA-HRCADAONSA-N 2 2 354.495 0.155 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N(C)CC[NH+]1CCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656066682 492529816 /nfs/dbraw/zinc/52/98/16/492529816.db2.gz ASSSTBLLWFOLDA-HRCADAONSA-N 2 2 354.495 0.155 10 0 FCAELP C[C@H](CNC(=O)C(=O)N(C)CCCn1cc[nH+]c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656080753 492541264 /nfs/dbraw/zinc/54/12/64/492541264.db2.gz GDFULCSIXZTIGI-OAGGEKHMSA-N 2 2 365.478 0.346 10 0 FCAELP C[C@H](CNC(=O)C(=O)N(C)CCCn1cc[nH+]c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656080753 492541268 /nfs/dbraw/zinc/54/12/68/492541268.db2.gz GDFULCSIXZTIGI-OAGGEKHMSA-N 2 2 365.478 0.346 10 0 FCAELP CCC(CC)[C@H](CNC(=O)NC[C@H]1COCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000623404575 492551288 /nfs/dbraw/zinc/55/12/88/492551288.db2.gz BEQBUKMLZZZZNK-IRXDYDNUSA-N 2 2 356.511 0.753 10 0 FCAELP CCC(CC)[C@H](CNC(=O)NC[C@H]1COCC[N@H+]1C)[NH+]1CCOCC1 ZINC000623404575 492551291 /nfs/dbraw/zinc/55/12/91/492551291.db2.gz BEQBUKMLZZZZNK-IRXDYDNUSA-N 2 2 356.511 0.753 10 0 FCAELP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2c[nH]nc2CN2C(=O)c3ccccc3C2=O)C1 ZINC000623492799 492560449 /nfs/dbraw/zinc/56/04/49/492560449.db2.gz KRVLYNNLOGQCSJ-IBGZPJMESA-N 2 2 369.425 0.362 10 0 FCAELP C[N@H+]1CC[C@](O)(C[NH2+]Cc2c[nH]nc2CN2C(=O)c3ccccc3C2=O)C1 ZINC000623492799 492560453 /nfs/dbraw/zinc/56/04/53/492560453.db2.gz KRVLYNNLOGQCSJ-IBGZPJMESA-N 2 2 369.425 0.362 10 0 FCAELP CC(C)[NH+](CCNC(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000656281630 492567904 /nfs/dbraw/zinc/56/79/04/492567904.db2.gz CPTKDLCPHAILFA-ZACQAIPSSA-N 2 2 370.538 0.835 10 0 FCAELP CC(C)[NH+](CCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000656281630 492567906 /nfs/dbraw/zinc/56/79/06/492567906.db2.gz CPTKDLCPHAILFA-ZACQAIPSSA-N 2 2 370.538 0.835 10 0 FCAELP COc1ccc(COC[C@H](O)C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000649688797 492573023 /nfs/dbraw/zinc/57/30/23/492573023.db2.gz OPDOKPGZYYYZBS-QGZVFWFLSA-N 2 2 365.474 0.279 10 0 FCAELP COc1ccc(COC[C@H](O)C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000649688797 492573026 /nfs/dbraw/zinc/57/30/26/492573026.db2.gz OPDOKPGZYYYZBS-QGZVFWFLSA-N 2 2 365.474 0.279 10 0 FCAELP CC[N@H+](CCNC(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000656309171 492583281 /nfs/dbraw/zinc/58/32/81/492583281.db2.gz MNHDPJNVJYYMSP-SOUVJXGZSA-N 2 2 354.495 0.201 10 0 FCAELP CC[N@@H+](CCNC(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000656309171 492583285 /nfs/dbraw/zinc/58/32/85/492583285.db2.gz MNHDPJNVJYYMSP-SOUVJXGZSA-N 2 2 354.495 0.201 10 0 FCAELP CC[NH+](CCNC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000656309171 492583287 /nfs/dbraw/zinc/58/32/87/492583287.db2.gz MNHDPJNVJYYMSP-SOUVJXGZSA-N 2 2 354.495 0.201 10 0 FCAELP CC[NH+](CCNC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000656309171 492583292 /nfs/dbraw/zinc/58/32/92/492583292.db2.gz MNHDPJNVJYYMSP-SOUVJXGZSA-N 2 2 354.495 0.201 10 0 FCAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000623794428 492595890 /nfs/dbraw/zinc/59/58/90/492595890.db2.gz UGCDKSMGAPKPQA-UHFFFAOYSA-N 2 2 350.448 0.156 10 0 FCAELP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000623873505 492603587 /nfs/dbraw/zinc/60/35/87/492603587.db2.gz JNJJKUUTJNCKHC-ROUUACIJSA-N 2 2 362.474 0.383 10 0 FCAELP C[N@H+]1CCOC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000623873505 492603591 /nfs/dbraw/zinc/60/35/91/492603591.db2.gz JNJJKUUTJNCKHC-ROUUACIJSA-N 2 2 362.474 0.383 10 0 FCAELP C[NH+]1CCOC[C@@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000623873505 492603595 /nfs/dbraw/zinc/60/35/95/492603595.db2.gz JNJJKUUTJNCKHC-ROUUACIJSA-N 2 2 362.474 0.383 10 0 FCAELP C[NH+]1CCOC[C@@H]1CNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000623873505 492603599 /nfs/dbraw/zinc/60/35/99/492603599.db2.gz JNJJKUUTJNCKHC-ROUUACIJSA-N 2 2 362.474 0.383 10 0 FCAELP C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656344207 492605345 /nfs/dbraw/zinc/60/53/45/492605345.db2.gz UFDNCQROPSXMGD-LJIZCISZSA-N 2 2 354.495 0.057 10 0 FCAELP C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656344207 492605350 /nfs/dbraw/zinc/60/53/50/492605350.db2.gz UFDNCQROPSXMGD-LJIZCISZSA-N 2 2 354.495 0.057 10 0 FCAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000624283573 492633870 /nfs/dbraw/zinc/63/38/70/492633870.db2.gz SKLAVMIRAQXVNK-YOEHRIQHSA-N 2 2 367.519 0.372 10 0 FCAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000624283573 492633874 /nfs/dbraw/zinc/63/38/74/492633874.db2.gz SKLAVMIRAQXVNK-YOEHRIQHSA-N 2 2 367.519 0.372 10 0 FCAELP O=C1[C@@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CCN1C1CCC1 ZINC000624342352 492639450 /nfs/dbraw/zinc/63/94/50/492639450.db2.gz CPVXALYDMPGNDL-SFHVURJKSA-N 2 2 350.507 0.526 10 0 FCAELP O=C1[C@@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CCN1C1CCC1 ZINC000624342352 492639451 /nfs/dbraw/zinc/63/94/51/492639451.db2.gz CPVXALYDMPGNDL-SFHVURJKSA-N 2 2 350.507 0.526 10 0 FCAELP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000629606642 492658492 /nfs/dbraw/zinc/65/84/92/492658492.db2.gz KQMCCNHDQJVVLF-QZTJIDSGSA-N 2 2 361.486 0.830 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)c3coc(S(C)(=O)=O)c3)CC2)CC1 ZINC000651207801 492722384 /nfs/dbraw/zinc/72/23/84/492722384.db2.gz ZAFOJVLDEZLQQU-UHFFFAOYSA-N 2 2 369.487 0.972 10 0 FCAELP Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000657362785 492749980 /nfs/dbraw/zinc/74/99/80/492749980.db2.gz IHXHSKCHKOBFMM-CYBMUJFWSA-N 2 2 361.412 0.935 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC[C@@H]1CCCOC1 ZINC000625410353 492776606 /nfs/dbraw/zinc/77/66/06/492776606.db2.gz VJEMKCXWXAISJG-INIZCTEOSA-N 2 2 368.522 0.404 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC[C@@H]1CCCOC1 ZINC000625410353 492776611 /nfs/dbraw/zinc/77/66/11/492776611.db2.gz VJEMKCXWXAISJG-INIZCTEOSA-N 2 2 368.522 0.404 10 0 FCAELP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000644513664 492780846 /nfs/dbraw/zinc/78/08/46/492780846.db2.gz JQWUKKCNKHWONX-HXUWFJFHSA-N 3 2 362.518 0.217 10 0 FCAELP Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000644569139 492785411 /nfs/dbraw/zinc/78/54/11/492785411.db2.gz MAMLVUFLTRJWKE-RBUKOAKNSA-N 2 2 363.502 0.731 10 0 FCAELP C[N@@H+]1CCO[C@@H](CS(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000631655954 492829874 /nfs/dbraw/zinc/82/98/74/492829874.db2.gz BITHETODAWZGCJ-CABCVRRESA-N 2 2 357.476 0.667 10 0 FCAELP C[N@H+]1CCO[C@@H](CS(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000631655954 492829875 /nfs/dbraw/zinc/82/98/75/492829875.db2.gz BITHETODAWZGCJ-CABCVRRESA-N 2 2 357.476 0.667 10 0 FCAELP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNS(=O)(=O)C[C@@H]2C[NH+](C)CCO2)C1 ZINC000631757994 492847576 /nfs/dbraw/zinc/84/75/76/492847576.db2.gz ONVUSQNVQQGPID-BBWFWOEESA-N 2 2 361.552 0.995 10 0 FCAELP C[C@@H]1C[C@H](C)C[N@H+](CCCCNS(=O)(=O)C[C@@H]2C[NH+](C)CCO2)C1 ZINC000631757994 492847579 /nfs/dbraw/zinc/84/75/79/492847579.db2.gz ONVUSQNVQQGPID-BBWFWOEESA-N 2 2 361.552 0.995 10 0 FCAELP C[C@@H]1C[C@H](C)C[NH+](CCCCNS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)C1 ZINC000631757994 492847582 /nfs/dbraw/zinc/84/75/82/492847582.db2.gz ONVUSQNVQQGPID-BBWFWOEESA-N 2 2 361.552 0.995 10 0 FCAELP C[C@@H]1C[C@H](C)C[NH+](CCCCNS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000631757994 492847585 /nfs/dbraw/zinc/84/75/85/492847585.db2.gz ONVUSQNVQQGPID-BBWFWOEESA-N 2 2 361.552 0.995 10 0 FCAELP CCN(CC(F)(F)F)C(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000631824628 492858715 /nfs/dbraw/zinc/85/87/15/492858715.db2.gz LXXGPKVKWGBARX-GFCCVEGCSA-N 2 2 352.401 0.717 10 0 FCAELP CCN(CC(F)(F)F)C(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000631824628 492858717 /nfs/dbraw/zinc/85/87/17/492858717.db2.gz LXXGPKVKWGBARX-GFCCVEGCSA-N 2 2 352.401 0.717 10 0 FCAELP Cc1cn2ccc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc2n1 ZINC000658338715 492861553 /nfs/dbraw/zinc/86/15/53/492861553.db2.gz JUSCKAGSGLPYMC-AWEZNQCLSA-N 2 2 374.489 0.969 10 0 FCAELP Cc1cn2ccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc2n1 ZINC000658338715 492861557 /nfs/dbraw/zinc/86/15/57/492861557.db2.gz JUSCKAGSGLPYMC-AWEZNQCLSA-N 2 2 374.489 0.969 10 0 FCAELP Cc1cn2ccc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc2[nH+]1 ZINC000658338715 492861561 /nfs/dbraw/zinc/86/15/61/492861561.db2.gz JUSCKAGSGLPYMC-AWEZNQCLSA-N 3 2 374.489 0.969 10 0 FCAELP Cc1cn2ccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc2[nH+]1 ZINC000658338715 492861566 /nfs/dbraw/zinc/86/15/66/492861566.db2.gz JUSCKAGSGLPYMC-AWEZNQCLSA-N 3 2 374.489 0.969 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000658335810 492861889 /nfs/dbraw/zinc/86/18/89/492861889.db2.gz HBWMYUTWFCYYIA-ZDUSSCGKSA-N 2 2 367.498 0.360 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000658335810 492861894 /nfs/dbraw/zinc/86/18/94/492861894.db2.gz HBWMYUTWFCYYIA-ZDUSSCGKSA-N 2 2 367.498 0.360 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(C2CC2)nn1 ZINC000658339414 492861966 /nfs/dbraw/zinc/86/19/66/492861966.db2.gz RNQUGBMQAGESMG-ZDUSSCGKSA-N 2 2 362.478 0.681 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(C2CC2)nn1 ZINC000658339414 492861969 /nfs/dbraw/zinc/86/19/69/492861969.db2.gz RNQUGBMQAGESMG-ZDUSSCGKSA-N 2 2 362.478 0.681 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cnc(C2CC2)nc1 ZINC000658335766 492862070 /nfs/dbraw/zinc/86/20/70/492862070.db2.gz GCSJNGYOGVKESY-ZDUSSCGKSA-N 2 2 362.478 0.681 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cnc(C2CC2)nc1 ZINC000658335766 492862072 /nfs/dbraw/zinc/86/20/72/492862072.db2.gz GCSJNGYOGVKESY-ZDUSSCGKSA-N 2 2 362.478 0.681 10 0 FCAELP C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)[C@H](C)CO1 ZINC000658419695 492878205 /nfs/dbraw/zinc/87/82/05/492878205.db2.gz IQTROQKGGGODQB-ZIAGYGMSSA-N 2 2 372.429 0.431 10 0 FCAELP C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)[C@H](C)CO1 ZINC000658419695 492878209 /nfs/dbraw/zinc/87/82/09/492878209.db2.gz IQTROQKGGGODQB-ZIAGYGMSSA-N 2 2 372.429 0.431 10 0 FCAELP C[C@H](CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)[N@@H+]1CCc2sccc2C1 ZINC000631915953 492881562 /nfs/dbraw/zinc/88/15/62/492881562.db2.gz QZWPOMFUVZOATR-OCCSQVGLSA-N 2 2 359.517 0.403 10 0 FCAELP C[C@H](CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)[N@H+]1CCc2sccc2C1 ZINC000631915953 492881565 /nfs/dbraw/zinc/88/15/65/492881565.db2.gz QZWPOMFUVZOATR-OCCSQVGLSA-N 2 2 359.517 0.403 10 0 FCAELP CN(C)c1cc(F)cc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000658426517 492884731 /nfs/dbraw/zinc/88/47/31/492884731.db2.gz BBAJQDDAUFWVLN-UHFFFAOYSA-N 2 2 367.469 0.830 10 0 FCAELP CN(C)c1cc(F)cc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000658426517 492884735 /nfs/dbraw/zinc/88/47/35/492884735.db2.gz BBAJQDDAUFWVLN-UHFFFAOYSA-N 2 2 367.469 0.830 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000658427423 492885352 /nfs/dbraw/zinc/88/53/52/492885352.db2.gz DCSOZWMRJCJDJL-UHFFFAOYSA-N 3 2 373.461 0.206 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000658427423 492885353 /nfs/dbraw/zinc/88/53/53/492885353.db2.gz DCSOZWMRJCJDJL-UHFFFAOYSA-N 3 2 373.461 0.206 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)CCOC2 ZINC000658427073 492885375 /nfs/dbraw/zinc/88/53/75/492885375.db2.gz FUEKJRQDTHUZIA-UHFFFAOYSA-N 2 2 362.474 0.698 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)CCOC2 ZINC000658427073 492885376 /nfs/dbraw/zinc/88/53/76/492885376.db2.gz FUEKJRQDTHUZIA-UHFFFAOYSA-N 2 2 362.474 0.698 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2cc[nH]c(=O)c2c1 ZINC000658427741 492885974 /nfs/dbraw/zinc/88/59/74/492885974.db2.gz KKLYRMQYPHTIEZ-UHFFFAOYSA-N 2 2 373.457 0.879 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2cc[nH]c(=O)c2c1 ZINC000658427741 492885979 /nfs/dbraw/zinc/88/59/79/492885979.db2.gz KKLYRMQYPHTIEZ-UHFFFAOYSA-N 2 2 373.457 0.879 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000658428869 492886440 /nfs/dbraw/zinc/88/64/40/492886440.db2.gz OXSNICCWCLGFFI-UHFFFAOYSA-N 2 2 373.461 0.206 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000658428869 492886442 /nfs/dbraw/zinc/88/64/42/492886442.db2.gz OXSNICCWCLGFFI-UHFFFAOYSA-N 2 2 373.461 0.206 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(-n2cccn2)c1 ZINC000658428166 492886805 /nfs/dbraw/zinc/88/68/05/492886805.db2.gz RPGGIFJWNADTIZ-UHFFFAOYSA-N 2 2 372.473 0.811 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(-n2cccn2)c1 ZINC000658428166 492886808 /nfs/dbraw/zinc/88/68/08/492886808.db2.gz RPGGIFJWNADTIZ-UHFFFAOYSA-N 2 2 372.473 0.811 10 0 FCAELP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NCCOCCC[NH3+])CC1 ZINC000625841712 492894039 /nfs/dbraw/zinc/89/40/39/492894039.db2.gz JSMXKCUMAKXRDA-UHFFFAOYSA-N 2 2 363.462 0.561 10 0 FCAELP C[C@@H](C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)N1CC[NH2+]CC1=O ZINC000638099092 492904971 /nfs/dbraw/zinc/90/49/71/492904971.db2.gz FPUYCAFRRKNELP-INIZCTEOSA-N 2 2 358.486 0.930 10 0 FCAELP C[NH2+]Cc1ccccc1CNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000652288025 492906526 /nfs/dbraw/zinc/90/65/26/492906526.db2.gz QSDRYUAEUBAXJB-KRWDZBQOSA-N 2 2 350.463 0.241 10 0 FCAELP C[NH2+]Cc1ccccc1CNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000652286992 492906788 /nfs/dbraw/zinc/90/67/88/492906788.db2.gz LBQZFZDBCDSQFO-OAHLLOKOSA-N 2 2 373.501 0.900 10 0 FCAELP C[C@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1=O ZINC000638112937 492909829 /nfs/dbraw/zinc/90/98/29/492909829.db2.gz XJQSBFYAFJIKQR-SJLPKXTDSA-N 2 2 358.486 0.787 10 0 FCAELP C[C@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1=O ZINC000638112937 492909834 /nfs/dbraw/zinc/90/98/34/492909834.db2.gz XJQSBFYAFJIKQR-SJLPKXTDSA-N 2 2 358.486 0.787 10 0 FCAELP CCO[C@@H]1C[N@H+](Cc2ccc(S(=O)(=O)NC3CC3)cc2)C[C@H]1C[NH3+] ZINC000652356168 492914147 /nfs/dbraw/zinc/91/41/47/492914147.db2.gz UZIISIYOIIJDFM-RHSMWYFYSA-N 2 2 353.488 0.923 10 0 FCAELP CCO[C@@H]1C[N@@H+](Cc2ccc(S(=O)(=O)NC3CC3)cc2)C[C@H]1C[NH3+] ZINC000652356168 492914152 /nfs/dbraw/zinc/91/41/52/492914152.db2.gz UZIISIYOIIJDFM-RHSMWYFYSA-N 2 2 353.488 0.923 10 0 FCAELP C[N@@H+]1CCO[C@H](CNC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638276323 492927198 /nfs/dbraw/zinc/92/71/98/492927198.db2.gz MYASJJXUMQNGKB-GOSISDBHSA-N 3 2 360.502 0.817 10 0 FCAELP C[N@H+]1CCO[C@H](CNC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638276323 492927204 /nfs/dbraw/zinc/92/72/04/492927204.db2.gz MYASJJXUMQNGKB-GOSISDBHSA-N 3 2 360.502 0.817 10 0 FCAELP C[C@@H]1C[NH+](CCCCNS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)C[C@@H](C)O1 ZINC000632099394 492929610 /nfs/dbraw/zinc/92/96/10/492929610.db2.gz IZVRFGDUOCSSOL-OAGGEKHMSA-N 2 2 363.524 0.126 10 0 FCAELP C[C@@H]1C[NH+](CCCCNS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)C[C@@H](C)O1 ZINC000632099394 492929612 /nfs/dbraw/zinc/92/96/12/492929612.db2.gz IZVRFGDUOCSSOL-OAGGEKHMSA-N 2 2 363.524 0.126 10 0 FCAELP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000652471730 492943019 /nfs/dbraw/zinc/94/30/19/492943019.db2.gz DLXLKFOFFHPTJF-INIZCTEOSA-N 2 2 356.511 0.260 10 0 FCAELP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000652471730 492943023 /nfs/dbraw/zinc/94/30/23/492943023.db2.gz DLXLKFOFFHPTJF-INIZCTEOSA-N 2 2 356.511 0.260 10 0 FCAELP C[C@H](NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)[C@@H](c1ccccc1)[NH+](C)C ZINC000632227597 492953903 /nfs/dbraw/zinc/95/39/03/492953903.db2.gz CMTXZGDTNQLMMD-UAGQMJEPSA-N 2 2 355.504 0.928 10 0 FCAELP C[C@H](NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)[C@@H](c1ccccc1)[NH+](C)C ZINC000632227597 492953907 /nfs/dbraw/zinc/95/39/07/492953907.db2.gz CMTXZGDTNQLMMD-UAGQMJEPSA-N 2 2 355.504 0.928 10 0 FCAELP C[NH+](C)CCc1ccc(CNS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)cc1 ZINC000632262141 492959878 /nfs/dbraw/zinc/95/98/78/492959878.db2.gz KESWNPIIKIKMBA-QGZVFWFLSA-N 2 2 355.504 0.541 10 0 FCAELP C[NH+](C)CCc1ccc(CNS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000632262141 492959880 /nfs/dbraw/zinc/95/98/80/492959880.db2.gz KESWNPIIKIKMBA-QGZVFWFLSA-N 2 2 355.504 0.541 10 0 FCAELP CC[C@H](C)[NH2+][C@@H](CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)c1ccco1 ZINC000632328635 492975062 /nfs/dbraw/zinc/97/50/62/492975062.db2.gz FUTUNNCIXQOTMH-ZNMIVQPWSA-N 2 2 359.492 0.959 10 0 FCAELP CC[C@H](C)[NH2+][C@@H](CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)c1ccco1 ZINC000632328635 492975066 /nfs/dbraw/zinc/97/50/66/492975066.db2.gz FUTUNNCIXQOTMH-ZNMIVQPWSA-N 2 2 359.492 0.959 10 0 FCAELP [NH3+]CC1(CCNC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000652671345 492983975 /nfs/dbraw/zinc/98/39/75/492983975.db2.gz ZOQPHLMITDEILX-UHFFFAOYSA-N 2 2 350.488 0.468 10 0 FCAELP [NH3+]CC1(CCNC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000652671345 492983978 /nfs/dbraw/zinc/98/39/78/492983978.db2.gz ZOQPHLMITDEILX-UHFFFAOYSA-N 2 2 350.488 0.468 10 0 FCAELP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)NCCC1(C[NH3+])CC1)c1ccccc1 ZINC000652673888 492984868 /nfs/dbraw/zinc/98/48/68/492984868.db2.gz DFKRLMMQFKZJBF-OAHLLOKOSA-N 2 2 355.442 0.871 10 0 FCAELP C[N@@H+]1CCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)[C@@H](Cc2ccccc2)C1 ZINC000652714252 492998575 /nfs/dbraw/zinc/99/85/75/492998575.db2.gz HJJYVQBSELPFTO-KRWDZBQOSA-N 2 2 358.486 0.617 10 0 FCAELP C[N@H+]1CCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)[C@@H](Cc2ccccc2)C1 ZINC000652714252 492998577 /nfs/dbraw/zinc/99/85/77/492998577.db2.gz HJJYVQBSELPFTO-KRWDZBQOSA-N 2 2 358.486 0.617 10 0 FCAELP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000652718974 493001354 /nfs/dbraw/zinc/00/13/54/493001354.db2.gz QSDJUVLCILLXNN-GOSISDBHSA-N 2 2 374.485 0.345 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652723718 493003310 /nfs/dbraw/zinc/00/33/10/493003310.db2.gz JLJVPNCMACACHZ-UHFFFAOYSA-N 2 2 359.474 0.545 10 0 FCAELP Cc1c[nH+]cn1CC(=O)N[C@@H](CN(C)C(=O)Cn1c[nH+]cc1C)C(C)C ZINC000626644975 493004135 /nfs/dbraw/zinc/00/41/35/493004135.db2.gz BQSOHERNDIFDAI-INIZCTEOSA-N 2 2 360.462 0.996 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@](C(=O)NC)(C(F)(F)F)C2)CC1 ZINC000646108266 493012762 /nfs/dbraw/zinc/01/27/62/493012762.db2.gz CYJXTRVGWUTXKY-SWLSCSKDSA-N 2 2 364.412 0.539 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@](C(=O)NC)(C(F)(F)F)C2)CC1 ZINC000646108266 493012764 /nfs/dbraw/zinc/01/27/64/493012764.db2.gz CYJXTRVGWUTXKY-SWLSCSKDSA-N 2 2 364.412 0.539 10 0 FCAELP CC(C)[C@@H](C(=O)N1CC(C[NH+]2CCOCC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000646355559 493043106 /nfs/dbraw/zinc/04/31/06/493043106.db2.gz POTHFZFNYOAWEJ-JZXOWHBKSA-N 2 2 353.507 0.911 10 0 FCAELP CC(C)[C@@H](C(=O)N1CC(C[NH+]2CCOCC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000646355559 493043111 /nfs/dbraw/zinc/04/31/11/493043111.db2.gz POTHFZFNYOAWEJ-JZXOWHBKSA-N 2 2 353.507 0.911 10 0 FCAELP C[NH+]1CCN([C@@H](C(=O)N2CC(C[NH+]3CCOCC3)C2)c2ccccc2)CC1 ZINC000646357036 493043981 /nfs/dbraw/zinc/04/39/81/493043981.db2.gz LZGHXWRIZQQBAD-HXUWFJFHSA-N 2 2 372.513 0.766 10 0 FCAELP C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C[NH2+]1 ZINC000626888825 493051682 /nfs/dbraw/zinc/05/16/82/493051682.db2.gz PTOPUUPCIWOUHU-QAPCUYQASA-N 2 2 373.501 0.629 10 0 FCAELP C[C@H](c1cccc(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)c1)[NH+]1CCOCC1 ZINC000626910056 493059899 /nfs/dbraw/zinc/05/98/99/493059899.db2.gz XMYNCPXGCLWXMU-JJRVBVJISA-N 2 2 360.458 0.885 10 0 FCAELP [NH3+]CC1(NC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)CCOCC1 ZINC000626924729 493063839 /nfs/dbraw/zinc/06/38/39/493063839.db2.gz CTUMRESUTADSQZ-QGZVFWFLSA-N 2 2 362.474 0.867 10 0 FCAELP C[NH2+]CCOCCN(C)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000626931312 493066537 /nfs/dbraw/zinc/06/65/37/493066537.db2.gz BEVOBHBJEYPJEG-HNNXBMFYSA-N 2 2 365.478 0.684 10 0 FCAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000626955081 493070438 /nfs/dbraw/zinc/07/04/38/493070438.db2.gz SINKHQZGHQAUBG-DOTOQJQBSA-N 2 2 362.474 0.947 10 0 FCAELP C[NH+]1CCC(CNC(=O)NC[C@H]2COCC[NH2+]2)([NH+]2CCCCC2)CC1 ZINC000626987780 493075935 /nfs/dbraw/zinc/07/59/35/493075935.db2.gz BOMPPMGZMPAIBD-INIZCTEOSA-N 3 2 353.511 0.224 10 0 FCAELP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000632722942 493076904 /nfs/dbraw/zinc/07/69/04/493076904.db2.gz BYJMXSDGUOYWLW-INIZCTEOSA-N 2 2 366.506 0.252 10 0 FCAELP Cc1cc(NCCNC(=O)NC[C@H]2C[NH2+]CCCO2)nc(C(C)C)[nH+]1 ZINC000627102238 493087995 /nfs/dbraw/zinc/08/79/95/493087995.db2.gz JRDOLCSYOOYNDW-CQSZACIVSA-N 2 2 350.467 0.998 10 0 FCAELP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000627114602 493090257 /nfs/dbraw/zinc/09/02/57/493090257.db2.gz HNGYULOUWACBQV-GVDBMIGSSA-N 2 2 350.438 0.901 10 0 FCAELP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000627114602 493090258 /nfs/dbraw/zinc/09/02/58/493090258.db2.gz HNGYULOUWACBQV-GVDBMIGSSA-N 2 2 350.438 0.901 10 0 FCAELP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)NCCOCCC[NH3+])C1 ZINC000627117961 493090363 /nfs/dbraw/zinc/09/03/63/493090363.db2.gz MZZGIBSXTQTTKO-GOSISDBHSA-N 2 2 363.506 0.467 10 0 FCAELP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)NCCOCCC[NH3+])C1 ZINC000627117961 493090369 /nfs/dbraw/zinc/09/03/69/493090369.db2.gz MZZGIBSXTQTTKO-GOSISDBHSA-N 2 2 363.506 0.467 10 0 FCAELP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000653391451 493115854 /nfs/dbraw/zinc/11/58/54/493115854.db2.gz CSXHOHAAEIFVOW-HZPDHXFCSA-N 2 2 356.511 0.306 10 0 FCAELP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000653391451 493115857 /nfs/dbraw/zinc/11/58/57/493115857.db2.gz CSXHOHAAEIFVOW-HZPDHXFCSA-N 2 2 356.511 0.306 10 0 FCAELP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000653391449 493115971 /nfs/dbraw/zinc/11/59/71/493115971.db2.gz CSXHOHAAEIFVOW-CVEARBPZSA-N 2 2 356.511 0.306 10 0 FCAELP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000653391449 493115975 /nfs/dbraw/zinc/11/59/75/493115975.db2.gz CSXHOHAAEIFVOW-CVEARBPZSA-N 2 2 356.511 0.306 10 0 FCAELP [NH3+][C@H]1CCCCCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000633076079 493116103 /nfs/dbraw/zinc/11/61/03/493116103.db2.gz GLIOYZPTYLTFHN-JKSUJKDBSA-N 2 2 352.479 0.040 10 0 FCAELP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000633088726 493120461 /nfs/dbraw/zinc/12/04/61/493120461.db2.gz UDAIBTMZNAYLAM-NVXWUHKLSA-N 2 2 374.485 0.393 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)C[C@H]1C[NH3+] ZINC000633110090 493131141 /nfs/dbraw/zinc/13/11/41/493131141.db2.gz HGQXLAPLTUGOGS-NXHRZFHOSA-N 2 2 358.486 0.425 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)C[C@H]1C[NH3+] ZINC000633110090 493131144 /nfs/dbraw/zinc/13/11/44/493131144.db2.gz HGQXLAPLTUGOGS-NXHRZFHOSA-N 2 2 358.486 0.425 10 0 FCAELP C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C[NH2+]1 ZINC000627290418 493136128 /nfs/dbraw/zinc/13/61/28/493136128.db2.gz PDLSJRAOTNYSGB-NXHRZFHOSA-N 2 2 374.485 0.260 10 0 FCAELP 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ZINC000627338654 493161274 /nfs/dbraw/zinc/16/12/74/493161274.db2.gz MIWZCMRKDLPTMN-HNNXBMFYSA-N 2 2 359.474 0.945 10 0 FCAELP CN(C(=O)C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000647111794 493167148 /nfs/dbraw/zinc/16/71/48/493167148.db2.gz UITWSXAXSJEYDJ-KONPQCLYSA-N 2 2 362.518 0.918 10 0 FCAELP CN(C(=O)C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000647111794 493167151 /nfs/dbraw/zinc/16/71/51/493167151.db2.gz UITWSXAXSJEYDJ-KONPQCLYSA-N 2 2 362.518 0.918 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@H]2CCC(=O)N(C)C2)C1 ZINC000653696141 493170550 /nfs/dbraw/zinc/17/05/50/493170550.db2.gz MKRVCSQHIMRJJM-HOTGVXAUSA-N 2 2 354.495 0.012 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@H]2CCC(=O)N(C)C2)C1 ZINC000653696141 493170557 /nfs/dbraw/zinc/17/05/57/493170557.db2.gz MKRVCSQHIMRJJM-HOTGVXAUSA-N 2 2 354.495 0.012 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)[C@H]2CCC(=O)N(C)C2)C1 ZINC000653696141 493170561 /nfs/dbraw/zinc/17/05/61/493170561.db2.gz MKRVCSQHIMRJJM-HOTGVXAUSA-N 2 2 354.495 0.012 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)C1 ZINC000653696141 493170567 /nfs/dbraw/zinc/17/05/67/493170567.db2.gz MKRVCSQHIMRJJM-HOTGVXAUSA-N 2 2 354.495 0.012 10 0 FCAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000627365364 493180294 /nfs/dbraw/zinc/18/02/94/493180294.db2.gz MWAFAFQYOLGSQI-ZWKOTPCHSA-N 2 2 373.501 0.182 10 0 FCAELP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000647298650 493192307 /nfs/dbraw/zinc/19/23/07/493192307.db2.gz PCTTWNUIXCCIKJ-GFCCVEGCSA-N 2 2 365.450 0.289 10 0 FCAELP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000659506710 493202295 /nfs/dbraw/zinc/20/22/95/493202295.db2.gz AGINKDOCIWPYOH-LJQANCHMSA-N 2 2 374.533 0.007 10 0 FCAELP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000659506710 493202301 /nfs/dbraw/zinc/20/23/01/493202301.db2.gz AGINKDOCIWPYOH-LJQANCHMSA-N 2 2 374.533 0.007 10 0 FCAELP Cc1cc(NCCNC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)nc(C(C)C)[nH+]1 ZINC000627409807 493207196 /nfs/dbraw/zinc/20/71/96/493207196.db2.gz NUJNLGJSGJNXMB-CQSZACIVSA-N 2 2 364.494 0.926 10 0 FCAELP Cc1cc(NCCNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])nc(C(C)C)[nH+]1 ZINC000627422836 493211787 /nfs/dbraw/zinc/21/17/87/493211787.db2.gz WOTHSEWRUBMVMY-NWDGAFQWSA-N 2 2 350.467 0.679 10 0 FCAELP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627425469 493213499 /nfs/dbraw/zinc/21/34/99/493213499.db2.gz QJEFZXWCWDEVGJ-CAOSSQGBSA-N 2 2 354.495 0.057 10 0 FCAELP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627425469 493213503 /nfs/dbraw/zinc/21/35/03/493213503.db2.gz QJEFZXWCWDEVGJ-CAOSSQGBSA-N 2 2 354.495 0.057 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCCc3ccccn3)C2)CC1 ZINC000672637955 493220843 /nfs/dbraw/zinc/22/08/43/493220843.db2.gz AXZZMJFGJSVRDQ-QGZVFWFLSA-N 2 2 373.501 0.415 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCCc3ccccn3)C2)CC1 ZINC000672637955 493220846 /nfs/dbraw/zinc/22/08/46/493220846.db2.gz AXZZMJFGJSVRDQ-QGZVFWFLSA-N 2 2 373.501 0.415 10 0 FCAELP C[C@@]1(F)C[NH2+]CCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000659610809 493220953 /nfs/dbraw/zinc/22/09/53/493220953.db2.gz PCCFIQJZXXGTQM-BFYDXBDKSA-N 2 2 354.470 0.973 10 0 FCAELP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000659626195 493221555 /nfs/dbraw/zinc/22/15/55/493221555.db2.gz GIRRQOXKKOXFIG-MSOLQXFVSA-N 2 2 361.490 0.172 10 0 FCAELP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000659626195 493221560 /nfs/dbraw/zinc/22/15/60/493221560.db2.gz GIRRQOXKKOXFIG-MSOLQXFVSA-N 2 2 361.490 0.172 10 0 FCAELP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000659622777 493222107 /nfs/dbraw/zinc/22/21/07/493222107.db2.gz VJZSTXZMMKONNT-JKSUJKDBSA-N 2 2 353.511 0.698 10 0 FCAELP 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C[C@@H]1CN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000659742446 493281900 /nfs/dbraw/zinc/28/19/00/493281900.db2.gz RLKWGBHMAAOWJP-XRTORIHISA-N 2 2 356.470 0.588 10 0 FCAELP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659745452 493283292 /nfs/dbraw/zinc/28/32/92/493283292.db2.gz RYCQVYXLWPJVFG-TZGCNFNXSA-N 2 2 357.458 0.155 10 0 FCAELP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000659746426 493283588 /nfs/dbraw/zinc/28/35/88/493283588.db2.gz KMKIEDITJDHCGL-NVXWUHKLSA-N 2 2 361.490 0.776 10 0 FCAELP NS(=O)(=O)c1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)co1 ZINC000659860851 493296408 /nfs/dbraw/zinc/29/64/08/493296408.db2.gz HCGWRQQRWNHJQI-UHFFFAOYSA-N 2 2 357.476 0.861 10 0 FCAELP FC1(F)C[C@@H]1OCC[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000659949905 493306767 /nfs/dbraw/zinc/30/67/67/493306767.db2.gz ASZQIPSXLRYLFU-AWEZNQCLSA-N 2 2 369.416 0.859 10 0 FCAELP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000673454724 493330866 /nfs/dbraw/zinc/33/08/66/493330866.db2.gz KCIOLFLMGWXPLL-DZOHQFGASA-N 2 2 374.485 0.383 10 0 FCAELP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000673454724 493330869 /nfs/dbraw/zinc/33/08/69/493330869.db2.gz KCIOLFLMGWXPLL-DZOHQFGASA-N 2 2 374.485 0.383 10 0 FCAELP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000673454724 493330870 /nfs/dbraw/zinc/33/08/70/493330870.db2.gz KCIOLFLMGWXPLL-DZOHQFGASA-N 2 2 374.485 0.383 10 0 FCAELP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000673454724 493330873 /nfs/dbraw/zinc/33/08/73/493330873.db2.gz KCIOLFLMGWXPLL-DZOHQFGASA-N 2 2 374.485 0.383 10 0 FCAELP COCCN(C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCOC1 ZINC000683836126 493372911 /nfs/dbraw/zinc/37/29/11/493372911.db2.gz YHAUIVLYWXJPOV-DOTOQJQBSA-N 2 2 354.495 0.602 10 0 FCAELP COCCN(C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCOC1 ZINC000683836126 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ORRFRZUZKQANEX-GJZGRUSLSA-N 2 2 350.467 0.187 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000684070638 493391947 /nfs/dbraw/zinc/39/19/47/493391947.db2.gz SCUUZSMHHYSFOT-INIZCTEOSA-N 2 2 361.490 0.626 10 0 FCAELP CCN1C(=O)[C@H]2C[N@H+](C[C@@H](O)C[NH+](C)Cc3ccccc3)CCN2C1=O ZINC000674470589 493419034 /nfs/dbraw/zinc/41/90/34/493419034.db2.gz ZPZKRJZPJGQPAZ-DLBZAZTESA-N 2 2 360.458 0.448 10 0 FCAELP CCN1C(=O)[C@H]2C[N@@H+](C[C@@H](O)C[NH+](C)Cc3ccccc3)CCN2C1=O ZINC000674470589 493419037 /nfs/dbraw/zinc/41/90/37/493419037.db2.gz ZPZKRJZPJGQPAZ-DLBZAZTESA-N 2 2 360.458 0.448 10 0 FCAELP CCN1C(=O)[C@H]2C[NH+](C[C@@H](O)C[N@H+](C)Cc3ccccc3)CCN2C1=O ZINC000674470589 493419039 /nfs/dbraw/zinc/41/90/39/493419039.db2.gz ZPZKRJZPJGQPAZ-DLBZAZTESA-N 2 2 360.458 0.448 10 0 FCAELP CCN1C(=O)[C@H]2C[NH+](C[C@@H](O)C[N@@H+](C)Cc3ccccc3)CCN2C1=O ZINC000674470589 493419042 /nfs/dbraw/zinc/41/90/42/493419042.db2.gz ZPZKRJZPJGQPAZ-DLBZAZTESA-N 2 2 360.458 0.448 10 0 FCAELP 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493509710 /nfs/dbraw/zinc/50/97/10/493509710.db2.gz IFDYOIZLSUOWON-GDBMZVCRSA-N 2 2 365.478 0.008 10 0 FCAELP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000685716006 493509713 /nfs/dbraw/zinc/50/97/13/493509713.db2.gz IFDYOIZLSUOWON-GDBMZVCRSA-N 2 2 365.478 0.008 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)c2cn(CC[NH3+])nn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000662508758 493522221 /nfs/dbraw/zinc/52/22/21/493522221.db2.gz DYFVHQGLIASLSK-ZFWWWQNUSA-N 2 2 350.373 0.690 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)c2cn(CC[NH3+])nn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000662508758 493522223 /nfs/dbraw/zinc/52/22/23/493522223.db2.gz DYFVHQGLIASLSK-ZFWWWQNUSA-N 2 2 350.373 0.690 10 0 FCAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000676266475 493538181 /nfs/dbraw/zinc/53/81/81/493538181.db2.gz NAIWCSLMDWAZIE-CQSZACIVSA-N 2 2 361.446 0.376 10 0 FCAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000676266475 493538182 /nfs/dbraw/zinc/53/81/82/493538182.db2.gz NAIWCSLMDWAZIE-CQSZACIVSA-N 2 2 361.446 0.376 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662857275 493547504 /nfs/dbraw/zinc/54/75/04/493547504.db2.gz JSPJZLKZXIAXGV-OAHLLOKOSA-N 3 2 351.499 0.206 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662857275 493547506 /nfs/dbraw/zinc/54/75/06/493547506.db2.gz JSPJZLKZXIAXGV-OAHLLOKOSA-N 3 2 351.499 0.206 10 0 FCAELP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)C1 ZINC000662944838 493558742 /nfs/dbraw/zinc/55/87/42/493558742.db2.gz VBBFCQBRVBBSRT-IAGOWNOFSA-N 2 2 373.501 0.974 10 0 FCAELP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NC[C@H]1C[NH+]2CCN1CCC2 ZINC000670408968 493562594 /nfs/dbraw/zinc/56/25/94/493562594.db2.gz AXWSXGDMVWHPPY-VQTJNVASSA-N 2 2 372.513 0.784 10 0 FCAELP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NC[C@H]1C[NH+]2CCN1CCC2 ZINC000670408968 493562596 /nfs/dbraw/zinc/56/25/96/493562596.db2.gz AXWSXGDMVWHPPY-VQTJNVASSA-N 2 2 372.513 0.784 10 0 FCAELP O=C(C[C@@H]1C[NH+](Cc2ccccc2)CCO1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000670408968 493562598 /nfs/dbraw/zinc/56/25/98/493562598.db2.gz AXWSXGDMVWHPPY-VQTJNVASSA-N 2 2 372.513 0.784 10 0 FCAELP O=C(C[C@@H]1C[NH+](Cc2ccccc2)CCO1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000670408968 493562600 /nfs/dbraw/zinc/56/26/00/493562600.db2.gz AXWSXGDMVWHPPY-VQTJNVASSA-N 2 2 372.513 0.784 10 0 FCAELP CC(C)[C@@H](C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000670409322 493563445 /nfs/dbraw/zinc/56/34/45/493563445.db2.gz KCXPXNJLTRBFLU-BDXSIMOUSA-N 2 2 352.523 0.626 10 0 FCAELP CC(C)[C@@H](C(=O)NC[C@H]1C[N@H+]2CCN1CCC2)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000670409322 493563447 /nfs/dbraw/zinc/56/34/47/493563447.db2.gz KCXPXNJLTRBFLU-BDXSIMOUSA-N 2 2 352.523 0.626 10 0 FCAELP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000670731446 493592274 /nfs/dbraw/zinc/59/22/74/493592274.db2.gz KGZBIIWQTJEDSS-HZPDHXFCSA-N 2 2 355.442 0.836 10 0 FCAELP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000670731446 493592276 /nfs/dbraw/zinc/59/22/76/493592276.db2.gz KGZBIIWQTJEDSS-HZPDHXFCSA-N 2 2 355.442 0.836 10 0 FCAELP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663491614 493592780 /nfs/dbraw/zinc/59/27/80/493592780.db2.gz KHCZTUZQDYPLQV-KRWDZBQOSA-N 3 2 355.442 0.002 10 0 FCAELP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000677411627 493599996 /nfs/dbraw/zinc/59/99/96/493599996.db2.gz MJSIGFDUXOAZPC-ZDUSSCGKSA-N 2 2 365.397 0.955 10 0 FCAELP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cn1 ZINC000677466841 493603413 /nfs/dbraw/zinc/60/34/13/493603413.db2.gz XZHFVCITELFRBL-KRWDZBQOSA-N 2 2 370.457 0.686 10 0 FCAELP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cn1 ZINC000677466841 493603414 /nfs/dbraw/zinc/60/34/14/493603414.db2.gz XZHFVCITELFRBL-KRWDZBQOSA-N 2 2 370.457 0.686 10 0 FCAELP Cc1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000671062926 493628917 /nfs/dbraw/zinc/62/89/17/493628917.db2.gz HXECIZQYJQMYGC-MRXNPFEDSA-N 2 2 359.474 0.291 10 0 FCAELP Cc1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000671062926 493628920 /nfs/dbraw/zinc/62/89/20/493628920.db2.gz HXECIZQYJQMYGC-MRXNPFEDSA-N 2 2 359.474 0.291 10 0 FCAELP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)N1CCOC[C@H]1C1CC1 ZINC000677988902 493629444 /nfs/dbraw/zinc/62/94/44/493629444.db2.gz NKJHOISPJGSVOL-ZJPYXAASSA-N 2 2 351.491 0.807 10 0 FCAELP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC(=O)N1CCOC[C@H]1C1CC1 ZINC000677988902 493629447 /nfs/dbraw/zinc/62/94/47/493629447.db2.gz NKJHOISPJGSVOL-ZJPYXAASSA-N 2 2 351.491 0.807 10 0 FCAELP C[N@@H+]1CCC[C@H](N2CC[NH+](CC(=O)N3CCOC[C@H]3C3CC3)CC2)C1 ZINC000677985523 493629674 /nfs/dbraw/zinc/62/96/74/493629674.db2.gz CQTMOQVHHSDTGM-ROUUACIJSA-N 2 2 350.507 0.336 10 0 FCAELP C[N@H+]1CCC[C@H](N2CC[NH+](CC(=O)N3CCOC[C@H]3C3CC3)CC2)C1 ZINC000677985523 493629676 /nfs/dbraw/zinc/62/96/76/493629676.db2.gz CQTMOQVHHSDTGM-ROUUACIJSA-N 2 2 350.507 0.336 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000664089132 493635843 /nfs/dbraw/zinc/63/58/43/493635843.db2.gz CXDIQMPWESCZNG-LBPRGKRZSA-N 2 2 367.416 0.332 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000664089132 493635846 /nfs/dbraw/zinc/63/58/46/493635846.db2.gz CXDIQMPWESCZNG-LBPRGKRZSA-N 2 2 367.416 0.332 10 0 FCAELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000671117151 493637885 /nfs/dbraw/zinc/63/78/85/493637885.db2.gz CHZVMROIAMHIIQ-DOTOQJQBSA-N 2 2 371.485 0.862 10 0 FCAELP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000671117151 493637887 /nfs/dbraw/zinc/63/78/87/493637887.db2.gz CHZVMROIAMHIIQ-DOTOQJQBSA-N 2 2 371.485 0.862 10 0 FCAELP CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000664131277 493638903 /nfs/dbraw/zinc/63/89/03/493638903.db2.gz VQCUYQSIQLECJT-CVEARBPZSA-N 2 2 355.527 0.816 10 0 FCAELP CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000664131277 493638905 /nfs/dbraw/zinc/63/89/05/493638905.db2.gz VQCUYQSIQLECJT-CVEARBPZSA-N 2 2 355.527 0.816 10 0 FCAELP C[C@H](O)[C@@H]1CCN(c2cc(NCC[N@H+](C)CCC[NH+](C)C)nc[nH+]2)C1 ZINC000664245278 493647294 /nfs/dbraw/zinc/64/72/94/493647294.db2.gz OGVJSKNSGUNSSX-JKSUJKDBSA-N 3 2 350.511 0.979 10 0 FCAELP C[C@H](O)[C@@H]1CCN(c2cc(NCC[N@@H+](C)CCC[NH+](C)C)nc[nH+]2)C1 ZINC000664245278 493647296 /nfs/dbraw/zinc/64/72/96/493647296.db2.gz OGVJSKNSGUNSSX-JKSUJKDBSA-N 3 2 350.511 0.979 10 0 FCAELP C[C@H](O)[C@@H]1CCN(c2cc(NCC[N@H+](C)CCC[NH+](C)C)ncn2)C1 ZINC000664245278 493647298 /nfs/dbraw/zinc/64/72/98/493647298.db2.gz OGVJSKNSGUNSSX-JKSUJKDBSA-N 2 2 350.511 0.979 10 0 FCAELP C[C@H](O)[C@@H]1CCN(c2cc(NCC[N@@H+](C)CCC[NH+](C)C)ncn2)C1 ZINC000664245278 493647299 /nfs/dbraw/zinc/64/72/99/493647299.db2.gz OGVJSKNSGUNSSX-JKSUJKDBSA-N 2 2 350.511 0.979 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCSC[C@H]3CCO)C2)CC1 ZINC000678778919 493659925 /nfs/dbraw/zinc/65/99/25/493659925.db2.gz YUSAWCJXDJWAAQ-GOEBONIOSA-N 2 2 356.536 0.664 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCSC[C@H]3CCO)C2)CC1 ZINC000678778919 493659927 /nfs/dbraw/zinc/65/99/27/493659927.db2.gz YUSAWCJXDJWAAQ-GOEBONIOSA-N 2 2 356.536 0.664 10 0 FCAELP CN(C)C(=O)N(C)[C@H]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000664540044 493666352 /nfs/dbraw/zinc/66/63/52/493666352.db2.gz TXYBTUIIBHGREP-INIZCTEOSA-N 2 2 368.526 0.410 10 0 FCAELP Cn1nc2c(c1CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)CCCC2 ZINC000664937890 493691422 /nfs/dbraw/zinc/69/14/22/493691422.db2.gz LILRELVFCKECHL-UHFFFAOYSA-N 2 2 350.511 0.982 10 0 FCAELP Cn1nc2c(c1CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCCC2 ZINC000664937890 493691423 /nfs/dbraw/zinc/69/14/23/493691423.db2.gz LILRELVFCKECHL-UHFFFAOYSA-N 2 2 350.511 0.982 10 0 FCAELP CN(C(=O)N[C@H]1CCNC1=O)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000665334385 493710416 /nfs/dbraw/zinc/71/04/16/493710416.db2.gz SBRMLIWDGYJZIP-BBWFWOEESA-N 2 2 365.522 0.854 10 0 FCAELP CN(C(=O)N[C@H]1CCNC1=O)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000665334385 493710418 /nfs/dbraw/zinc/71/04/18/493710418.db2.gz SBRMLIWDGYJZIP-BBWFWOEESA-N 2 2 365.522 0.854 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000665637043 493729000 /nfs/dbraw/zinc/72/90/00/493729000.db2.gz RVKRYGGXWLQISY-ZWKOTPCHSA-N 3 2 369.554 0.765 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000665637043 493729003 /nfs/dbraw/zinc/72/90/03/493729003.db2.gz RVKRYGGXWLQISY-ZWKOTPCHSA-N 3 2 369.554 0.765 10 0 FCAELP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C)[C@@H](C)C1 ZINC000665762462 493734225 /nfs/dbraw/zinc/73/42/25/493734225.db2.gz FCRMQEBRCUPQTI-ULQDDVLXSA-N 3 2 357.543 0.355 10 0 FCAELP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C)[C@@H](C)C1 ZINC000665762462 493734226 /nfs/dbraw/zinc/73/42/26/493734226.db2.gz FCRMQEBRCUPQTI-ULQDDVLXSA-N 3 2 357.543 0.355 10 0 FCAELP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[C@@H](C)C1 ZINC000665762462 493734228 /nfs/dbraw/zinc/73/42/28/493734228.db2.gz FCRMQEBRCUPQTI-ULQDDVLXSA-N 3 2 357.543 0.355 10 0 FCAELP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000672164638 493739459 /nfs/dbraw/zinc/73/94/59/493739459.db2.gz XMXYBECRXODGCZ-AEFFLSMTSA-N 2 2 374.485 0.516 10 0 FCAELP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000672164638 493739460 /nfs/dbraw/zinc/73/94/60/493739460.db2.gz XMXYBECRXODGCZ-AEFFLSMTSA-N 2 2 374.485 0.516 10 0 FCAELP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000672164638 493739462 /nfs/dbraw/zinc/73/94/62/493739462.db2.gz XMXYBECRXODGCZ-AEFFLSMTSA-N 2 2 374.485 0.516 10 0 FCAELP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000672164638 493739463 /nfs/dbraw/zinc/73/94/63/493739463.db2.gz XMXYBECRXODGCZ-AEFFLSMTSA-N 2 2 374.485 0.516 10 0 FCAELP Cc1noc(CCNC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000681214141 493750839 /nfs/dbraw/zinc/75/08/39/493750839.db2.gz DKKJTPLXQSQWTP-HNNXBMFYSA-N 2 2 350.467 0.730 10 0 FCAELP Cc1noc(CCNC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000681214141 493750840 /nfs/dbraw/zinc/75/08/40/493750840.db2.gz DKKJTPLXQSQWTP-HNNXBMFYSA-N 2 2 350.467 0.730 10 0 FCAELP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1nnc(COC)[nH]1 ZINC000666118937 493758087 /nfs/dbraw/zinc/75/80/87/493758087.db2.gz MCEGAAAHHIVWER-CQSZACIVSA-N 2 2 367.498 0.509 10 0 FCAELP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1nnc(COC)[nH]1 ZINC000666118937 493758089 /nfs/dbraw/zinc/75/80/89/493758089.db2.gz MCEGAAAHHIVWER-CQSZACIVSA-N 2 2 367.498 0.509 10 0 FCAELP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cc[nH+]cc2N(C)C)CC1=O ZINC000681362848 493758589 /nfs/dbraw/zinc/75/85/89/493758589.db2.gz MLHFAKVOEWPZOF-CABCVRRESA-N 2 2 359.474 0.841 10 0 FCAELP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cc[nH+]cc2N(C)C)CC1=O ZINC000681362848 493758591 /nfs/dbraw/zinc/75/85/91/493758591.db2.gz MLHFAKVOEWPZOF-CABCVRRESA-N 2 2 359.474 0.841 10 0 FCAELP CCN(C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1CC[N@H+](C)C1 ZINC000666238817 493763925 /nfs/dbraw/zinc/76/39/25/493763925.db2.gz FWTRHGNIYJWKNM-INIZCTEOSA-N 2 2 350.467 0.773 10 0 FCAELP CCN(C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1CC[N@@H+](C)C1 ZINC000666238817 493763927 /nfs/dbraw/zinc/76/39/27/493763927.db2.gz FWTRHGNIYJWKNM-INIZCTEOSA-N 2 2 350.467 0.773 10 0 FCAELP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(=O)[nH]c(N(C)C)n2)C1 ZINC000276496914 520574568 /nfs/dbraw/zinc/57/45/68/520574568.db2.gz PEYOGIGOFJSSMK-OAHLLOKOSA-N 2 2 364.494 0.623 10 0 FCAELP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(=O)[nH]c(N(C)C)n2)C1 ZINC000276496914 520574576 /nfs/dbraw/zinc/57/45/76/520574576.db2.gz PEYOGIGOFJSSMK-OAHLLOKOSA-N 2 2 364.494 0.623 10 0 FCAELP CC(C)C[C@@H](CO)N(C)C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000410871342 528330642 /nfs/dbraw/zinc/33/06/42/528330642.db2.gz QXQQYTHFWJOKJK-KRWDZBQOSA-N 2 2 370.538 0.336 10 0 FCAELP CC(C)C[C@@H](CO)N(C)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000410871342 528330647 /nfs/dbraw/zinc/33/06/47/528330647.db2.gz QXQQYTHFWJOKJK-KRWDZBQOSA-N 2 2 370.538 0.336 10 0 FCAELP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000419648619 535438806 /nfs/dbraw/zinc/43/88/06/535438806.db2.gz MLRVGSAJJFXSLE-MRXNPFEDSA-N 2 2 359.474 0.767 10 0 FCAELP COC(=O)c1c(C)cccc1S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000594821194 546834767 /nfs/dbraw/zinc/83/47/67/546834767.db2.gz KOLIKTIYYUCECH-UHFFFAOYSA-N 2 2 371.503 0.943 10 0 FCAELP COC(=O)c1c(C)cccc1S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000594821194 546834770 /nfs/dbraw/zinc/83/47/70/546834770.db2.gz KOLIKTIYYUCECH-UHFFFAOYSA-N 2 2 371.503 0.943 10 0 FCAELP CN1CCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1=O ZINC000363296186 546889885 /nfs/dbraw/zinc/88/98/85/546889885.db2.gz UGHCADAUDKYSHF-UHFFFAOYSA-N 2 2 351.495 0.420 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSC[C@@H]2C[NH+](C)CCO2)C1 ZINC000583084025 546903914 /nfs/dbraw/zinc/90/39/14/546903914.db2.gz RRIODVHUZWIEJR-HOTGVXAUSA-N 2 2 359.536 0.523 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CSC[C@@H]2C[NH+](C)CCO2)C1 ZINC000583084025 546903918 /nfs/dbraw/zinc/90/39/18/546903918.db2.gz RRIODVHUZWIEJR-HOTGVXAUSA-N 2 2 359.536 0.523 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CSC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000583084025 546903922 /nfs/dbraw/zinc/90/39/22/546903922.db2.gz RRIODVHUZWIEJR-HOTGVXAUSA-N 2 2 359.536 0.523 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CSC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000583084025 546903925 /nfs/dbraw/zinc/90/39/25/546903925.db2.gz RRIODVHUZWIEJR-HOTGVXAUSA-N 2 2 359.536 0.523 10 0 FCAELP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)[C@@H](C)C1 ZINC000550692663 547098979 /nfs/dbraw/zinc/09/89/79/547098979.db2.gz ZGUZUFQIIQRIDC-JYJNAYRXSA-N 2 2 354.495 0.012 10 0 FCAELP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)[C@@H](C)C1 ZINC000550692663 547098982 /nfs/dbraw/zinc/09/89/82/547098982.db2.gz ZGUZUFQIIQRIDC-JYJNAYRXSA-N 2 2 354.495 0.012 10 0 FCAELP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(c2ccccc2S(N)(=O)=O)CC1 ZINC000190312911 547410470 /nfs/dbraw/zinc/41/04/70/547410470.db2.gz IDDVAZOJNQBQBA-HNNXBMFYSA-N 2 2 352.504 0.940 10 0 FCAELP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(c2ccccc2S(N)(=O)=O)CC1 ZINC000190312911 547410472 /nfs/dbraw/zinc/41/04/72/547410472.db2.gz IDDVAZOJNQBQBA-HNNXBMFYSA-N 2 2 352.504 0.940 10 0 FCAELP COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)[C@@H]2C1 ZINC000897736538 665770782 /nfs/dbraw/zinc/77/07/82/665770782.db2.gz GNMPYKFYMDAEKR-FPCVCCKLSA-N 2 2 354.495 0.757 10 0 FCAELP COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)[C@@H]2C1 ZINC000897736538 665770785 /nfs/dbraw/zinc/77/07/85/665770785.db2.gz GNMPYKFYMDAEKR-FPCVCCKLSA-N 2 2 354.495 0.757 10 0 FCAELP COCC[C@H]1NC(=O)N(CC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1=O ZINC000925327825 665839859 /nfs/dbraw/zinc/83/98/59/665839859.db2.gz RWKOMIDSDBUTOF-OAHLLOKOSA-N 2 2 352.479 0.894 10 0 FCAELP COC[C@@]1(C)NC(=O)N(CC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1=O ZINC000925328642 665840308 /nfs/dbraw/zinc/84/03/08/665840308.db2.gz ZZSBJLVCNBMRSM-QGZVFWFLSA-N 2 2 352.479 0.894 10 0 FCAELP C[C@@H]1OC[C@H]([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H]1C ZINC000924723312 665870251 /nfs/dbraw/zinc/87/02/51/665870251.db2.gz QLOVVVJMTUFWMW-PMPSAXMXSA-N 2 2 368.503 0.546 10 0 FCAELP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(CS(=O)(=O)N(C)C)cc1 ZINC000925805336 664823604 /nfs/dbraw/zinc/82/36/04/664823604.db2.gz SMMPDYXKCACVRO-YOEHRIQHSA-N 2 2 355.504 0.935 10 0 FCAELP CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCC1 ZINC000925815033 664833213 /nfs/dbraw/zinc/83/32/13/664833213.db2.gz SKPWHNDRQYPRDP-GJZGRUSLSA-N 2 2 359.536 0.984 10 0 FCAELP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895847813 665061557 /nfs/dbraw/zinc/06/15/57/665061557.db2.gz HWLIOUJPDKSQBP-NVXWUHKLSA-N 2 2 355.504 0.031 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925165182 665176040 /nfs/dbraw/zinc/17/60/40/665176040.db2.gz YLNKSLMMWLDRQU-BZUAXINKSA-N 2 2 356.536 0.928 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000925165182 665176041 /nfs/dbraw/zinc/17/60/41/665176041.db2.gz YLNKSLMMWLDRQU-BZUAXINKSA-N 2 2 356.536 0.928 10 0 FCAELP C/C(=C/C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)C[NH+]1CCOCC1 ZINC000907988521 666172923 /nfs/dbraw/zinc/17/29/23/666172923.db2.gz BUGWQTJDWOARMT-SOBQPUOHSA-N 2 2 351.491 0.978 10 0 FCAELP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2C[C@H](C)[NH+](CCO)C[C@H]2C)C1 ZINC000910925032 666296909 /nfs/dbraw/zinc/29/69/09/666296909.db2.gz GLINZZSHDFORPJ-ARFHVFGLSA-N 2 2 355.479 0.175 10 0 FCAELP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2C[C@H](C)[NH+](CCO)C[C@H]2C)C1 ZINC000910925032 666296911 /nfs/dbraw/zinc/29/69/11/666296911.db2.gz GLINZZSHDFORPJ-ARFHVFGLSA-N 2 2 355.479 0.175 10 0 FCAELP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)C1 ZINC000910925032 666296914 /nfs/dbraw/zinc/29/69/14/666296914.db2.gz GLINZZSHDFORPJ-ARFHVFGLSA-N 2 2 355.479 0.175 10 0 FCAELP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)C1 ZINC000910925032 666296917 /nfs/dbraw/zinc/29/69/17/666296917.db2.gz GLINZZSHDFORPJ-ARFHVFGLSA-N 2 2 355.479 0.175 10 0 FCAELP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000910928693 666297406 /nfs/dbraw/zinc/29/74/06/666297406.db2.gz RAAADSFXMDKLEC-KNXWPPODSA-N 2 2 353.507 0.791 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000910928693 666297409 /nfs/dbraw/zinc/29/74/09/666297409.db2.gz RAAADSFXMDKLEC-KNXWPPODSA-N 2 2 353.507 0.791 10 0 FCAELP O=C(NC[C@]1(CO)COCC[NH2+]1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000913186220 666512626 /nfs/dbraw/zinc/51/26/26/666512626.db2.gz BHAXLHZEAWNKKT-WMZOPIPTSA-N 2 2 351.422 0.257 10 0 FCAELP O=C(NC[C@]1(CO)COCC[NH2+]1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000913186220 666512628 /nfs/dbraw/zinc/51/26/28/666512628.db2.gz BHAXLHZEAWNKKT-WMZOPIPTSA-N 2 2 351.422 0.257 10 0 FCAELP C/C(=C/C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C[NH+]1CCOCC1 ZINC000913436214 666526570 /nfs/dbraw/zinc/52/65/70/666526570.db2.gz GLIWLCQYMCIXAH-ZGOZOZORSA-N 3 2 352.523 0.463 10 0 FCAELP CCO[C@@H](CNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)C[NH+](C)C ZINC000914327958 666741196 /nfs/dbraw/zinc/74/11/96/666741196.db2.gz CFVJUCDEAOEUDB-RDJZCZTQSA-N 2 2 374.551 0.460 10 0 FCAELP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000929928428 667001023 /nfs/dbraw/zinc/00/10/23/667001023.db2.gz AZXNEYXQIHEAFQ-GFCCVEGCSA-N 2 2 355.508 0.667 10 0 FCAELP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000929928428 667001026 /nfs/dbraw/zinc/00/10/26/667001026.db2.gz AZXNEYXQIHEAFQ-GFCCVEGCSA-N 2 2 355.508 0.667 10 0 FCAELP CN1C[C@@H](CCNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000918912409 667141082 /nfs/dbraw/zinc/14/10/82/667141082.db2.gz GGHRHMYQKYBWSG-LSDHHAIUSA-N 2 2 351.495 0.323 10 0 FCAELP CN1C[C@@H](CCNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000918912409 667141085 /nfs/dbraw/zinc/14/10/85/667141085.db2.gz GGHRHMYQKYBWSG-LSDHHAIUSA-N 2 2 351.495 0.323 10 0 FCAELP CCO[C@H](CNS(=O)(=O)c1cccc2c1CC[N@H+](C)C2)C[NH+](C)C ZINC000921633717 667158760 /nfs/dbraw/zinc/15/87/60/667158760.db2.gz HEZPVBXDKQJFJV-OAHLLOKOSA-N 2 2 355.504 0.920 10 0 FCAELP CCO[C@H](CNS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2)C[NH+](C)C ZINC000921633717 667158763 /nfs/dbraw/zinc/15/87/63/667158763.db2.gz HEZPVBXDKQJFJV-OAHLLOKOSA-N 2 2 355.504 0.920 10 0 FCAELP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H](O)CS(C)(=O)=O)CC2)cc1 ZINC000922822906 667685217 /nfs/dbraw/zinc/68/52/17/667685217.db2.gz JXPJZBKJPCMYPF-KRWDZBQOSA-N 2 2 355.504 0.717 10 0 FCAELP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000824369067 669387075 /nfs/dbraw/zinc/38/70/75/669387075.db2.gz VGJGIVXAWINWLP-XDNAFOTISA-N 2 2 351.491 0.999 10 0 FCAELP O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000824369067 669387082 /nfs/dbraw/zinc/38/70/82/669387082.db2.gz VGJGIVXAWINWLP-XDNAFOTISA-N 2 2 351.491 0.999 10 0 FCAELP C[N@@H+]1CCCC[C@H]1CCC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000806828323 669447999 /nfs/dbraw/zinc/44/79/99/669447999.db2.gz FCFNFBPYJCVYAQ-INIZCTEOSA-N 2 2 359.536 0.876 10 0 FCAELP C[N@H+]1CCCC[C@H]1CCC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000806828323 669448003 /nfs/dbraw/zinc/44/80/03/669448003.db2.gz FCFNFBPYJCVYAQ-INIZCTEOSA-N 2 2 359.536 0.876 10 0 FCAELP Cn1ncc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1C1CC1 ZINC000850596980 671389081 /nfs/dbraw/zinc/38/90/81/671389081.db2.gz YTTURMJWGWTGNA-UHFFFAOYSA-N 2 2 350.467 0.236 10 0 FCAELP Cn1ncc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1C1CC1 ZINC000850596980 671389085 /nfs/dbraw/zinc/38/90/85/671389085.db2.gz YTTURMJWGWTGNA-UHFFFAOYSA-N 2 2 350.467 0.236 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(S(N)(=O)=O)ccc1F ZINC000855417368 671641829 /nfs/dbraw/zinc/64/18/29/671641829.db2.gz ZSOCZYUIJNRECF-UHFFFAOYSA-N 2 2 360.455 0.086 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(S(N)(=O)=O)ccc1F ZINC000855417368 671641835 /nfs/dbraw/zinc/64/18/35/671641835.db2.gz ZSOCZYUIJNRECF-UHFFFAOYSA-N 2 2 360.455 0.086 10 0 FCAELP Cn1cc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)nc1Cl ZINC000903562828 675945248 /nfs/dbraw/zinc/94/52/48/675945248.db2.gz WARHHHRKMBVALD-BETUJISGSA-N 2 2 373.910 0.663 10 0 FCAELP Cn1cc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)nc1Cl ZINC000903562828 675945249 /nfs/dbraw/zinc/94/52/49/675945249.db2.gz WARHHHRKMBVALD-BETUJISGSA-N 2 2 373.910 0.663 10 0 FCAELP Cc1cc([C@@H]([NH3+])CC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc(Cl)n1 ZINC000863583099 672140324 /nfs/dbraw/zinc/14/03/24/672140324.db2.gz NDTVOLWVUQZMPJ-GJZGRUSLSA-N 2 2 370.881 0.585 10 0 FCAELP CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865017014 672222288 /nfs/dbraw/zinc/22/22/88/672222288.db2.gz CQDWETQDPRYZJH-XJKSGUPXSA-N 2 2 352.435 0.709 10 0 FCAELP CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865017014 672222292 /nfs/dbraw/zinc/22/22/92/672222292.db2.gz CQDWETQDPRYZJH-XJKSGUPXSA-N 2 2 352.435 0.709 10 0 FCAELP CCN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712524 672291275 /nfs/dbraw/zinc/29/12/75/672291275.db2.gz VGEUSCVLCINMPP-TUAOUCFPSA-N 2 2 364.368 0.264 10 0 FCAELP CCN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712524 672291279 /nfs/dbraw/zinc/29/12/79/672291279.db2.gz VGEUSCVLCINMPP-TUAOUCFPSA-N 2 2 364.368 0.264 10 0 FCAELP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000869103401 672422969 /nfs/dbraw/zinc/42/29/69/672422969.db2.gz LKTIZKJGUHXCKU-JSGCOSHPSA-N 2 2 351.451 0.769 10 0 FCAELP 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CC[C@@H]1[C@@H](C(=O)NC2C[NH+](C[C@H](O)COC3CCOCC3)C2)CC[N@H+]1C ZINC001481559789 1186355055 /nfs/dbraw/zinc/35/50/55/1186355055.db2.gz QRACGAIBGAJFIO-RYQLBKOJSA-N 2 2 369.506 0.074 10 0 FCAELP CC(C)(C)NC(=O)NCC[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001268552763 1187590500 /nfs/dbraw/zinc/59/05/00/1187590500.db2.gz PKZLXPUOBPQERU-KOABKASLSA-N 2 2 362.478 0.873 10 0 FCAELP CC(C)(C)NC(=O)NCC[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001268552763 1187590506 /nfs/dbraw/zinc/59/05/06/1187590506.db2.gz PKZLXPUOBPQERU-KOABKASLSA-N 2 2 362.478 0.873 10 0 FCAELP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000423247061 1187851791 /nfs/dbraw/zinc/85/17/91/1187851791.db2.gz KPQDRXLCQAPJLX-IAGOWNOFSA-N 2 2 368.522 0.532 10 0 FCAELP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000423247062 1187851862 /nfs/dbraw/zinc/85/18/62/1187851862.db2.gz KPQDRXLCQAPJLX-IRXDYDNUSA-N 2 2 368.522 0.532 10 0 FCAELP Cc1nc(C)n(CC[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)n1 ZINC001269494088 1187852721 /nfs/dbraw/zinc/85/27/21/1187852721.db2.gz OXYGLBOYMIQBJK-HUUCEWRRSA-N 2 2 357.462 0.671 10 0 FCAELP CN(CC1CC1)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001270076245 1187994841 /nfs/dbraw/zinc/99/48/41/1187994841.db2.gz NWSPGQRGCZYEDW-ARFHVFGLSA-N 2 2 359.474 0.962 10 0 FCAELP CN(CC1CC1)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001270076245 1187994846 /nfs/dbraw/zinc/99/48/46/1187994846.db2.gz NWSPGQRGCZYEDW-ARFHVFGLSA-N 2 2 359.474 0.962 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000937556490 1189837057 /nfs/dbraw/zinc/83/70/57/1189837057.db2.gz RXWDVLXTRDPKSM-SIRPWMCASA-N 2 2 371.485 0.820 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@H+]1C ZINC000937556490 1189837058 /nfs/dbraw/zinc/83/70/58/1189837058.db2.gz RXWDVLXTRDPKSM-SIRPWMCASA-N 2 2 371.485 0.820 10 0 FCAELP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896439572 1190059978 /nfs/dbraw/zinc/05/99/78/1190059978.db2.gz HUERPZHQHSBZPL-AEFFLSMTSA-N 2 2 373.501 0.429 10 0 FCAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000550898598 1193818881 /nfs/dbraw/zinc/81/88/81/1193818881.db2.gz HDGDPEXOYCHSOA-PBHICJAKSA-N 2 2 371.485 0.766 10 0 FCAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000550898598 1193818882 /nfs/dbraw/zinc/81/88/82/1193818882.db2.gz HDGDPEXOYCHSOA-PBHICJAKSA-N 2 2 371.485 0.766 10 0 FCAELP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000551848105 1193873834 /nfs/dbraw/zinc/87/38/34/1193873834.db2.gz AKHKOLJTSWXOAX-DLBZAZTESA-N 2 2 369.469 0.603 10 0 FCAELP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1 ZINC000553114864 1193972396 /nfs/dbraw/zinc/97/23/96/1193972396.db2.gz WPWAQJRVOQSHLW-ROUUACIJSA-N 2 2 367.538 0.519 10 0 FCAELP C[C@H]1COCC[N@H+]1CCNC(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1 ZINC000553114864 1193972400 /nfs/dbraw/zinc/97/24/00/1193972400.db2.gz WPWAQJRVOQSHLW-ROUUACIJSA-N 2 2 367.538 0.519 10 0 FCAELP C[C@H]1COCC[NH+]1CCNC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000553114864 1193972404 /nfs/dbraw/zinc/97/24/04/1193972404.db2.gz WPWAQJRVOQSHLW-ROUUACIJSA-N 2 2 367.538 0.519 10 0 FCAELP C[C@H]1COCC[NH+]1CCNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000553114864 1193972409 /nfs/dbraw/zinc/97/24/09/1193972409.db2.gz WPWAQJRVOQSHLW-ROUUACIJSA-N 2 2 367.538 0.519 10 0 FCAELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC000898988134 1194093035 /nfs/dbraw/zinc/09/30/35/1194093035.db2.gz SDSLBGOVDKWURV-WOJBJXKFSA-N 2 2 372.513 0.640 10 0 FCAELP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC000898988134 1194093041 /nfs/dbraw/zinc/09/30/41/1194093041.db2.gz SDSLBGOVDKWURV-WOJBJXKFSA-N 2 2 372.513 0.640 10 0 FCAELP O=C(N1CCCC[C@@H]1C[NH+]1CCOCC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000906221415 1195617558 /nfs/dbraw/zinc/61/75/58/1195617558.db2.gz GNLZSAIWBDDLBY-QGZVFWFLSA-N 2 2 361.490 0.675 10 0 FCAELP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@H+](C)C[C@H]3CO)cc2F)CC1 ZINC000912744374 1196366254 /nfs/dbraw/zinc/36/62/54/1196366254.db2.gz VIBPSGPGJYUVAK-INIZCTEOSA-N 2 2 364.465 0.716 10 0 FCAELP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@@H+](C)C[C@H]3CO)cc2F)CC1 ZINC000912744374 1196366257 /nfs/dbraw/zinc/36/62/57/1196366257.db2.gz VIBPSGPGJYUVAK-INIZCTEOSA-N 2 2 364.465 0.716 10 0 FCAELP C[N@@H+]1CCc2[nH]c3ccc(C(=O)NC[C@@]4(CO)COCC[NH2+]4)cc3c2C1 ZINC000913181992 1196402032 /nfs/dbraw/zinc/40/20/32/1196402032.db2.gz SMRCQRHZRZEDRS-LJQANCHMSA-N 2 2 358.442 0.237 10 0 FCAELP C[N@H+]1CCc2[nH]c3ccc(C(=O)NC[C@@]4(CO)COCC[NH2+]4)cc3c2C1 ZINC000913181992 1196402039 /nfs/dbraw/zinc/40/20/39/1196402039.db2.gz SMRCQRHZRZEDRS-LJQANCHMSA-N 2 2 358.442 0.237 10 0 FCAELP O=C(N1CC[NH2+][C@@H](c2cn[nH]c2)C1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000913447885 1196436570 /nfs/dbraw/zinc/43/65/70/1196436570.db2.gz ORSRHAYHKGOHEO-MJGOQNOKSA-N 2 2 355.442 0.520 10 0 FCAELP O=C(N1CC[NH2+][C@@H](c2cn[nH]c2)C1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000913447885 1196436574 /nfs/dbraw/zinc/43/65/74/1196436574.db2.gz ORSRHAYHKGOHEO-MJGOQNOKSA-N 2 2 355.442 0.520 10 0 FCAELP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000592965268 1196597991 /nfs/dbraw/zinc/59/79/91/1196597991.db2.gz XUFPRNXSUWZTSM-SFHVURJKSA-N 2 2 374.485 0.168 10 0 FCAELP O=C(NC[C@@H](O)C[NH2+]CCc1ccc2c(c1)CCO2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001272443387 1197080390 /nfs/dbraw/zinc/08/03/90/1197080390.db2.gz MWZWZYAGXNCIPV-GVDBMIGSSA-N 2 2 370.453 0.758 10 0 FCAELP O=C(NC[C@@H](O)C[NH2+]CCc1ccc2c(c1)CCO2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001272443387 1197080394 /nfs/dbraw/zinc/08/03/94/1197080394.db2.gz MWZWZYAGXNCIPV-GVDBMIGSSA-N 2 2 370.453 0.758 10 0 FCAELP CCCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001272564565 1197322351 /nfs/dbraw/zinc/32/23/51/1197322351.db2.gz HWYZODIMMGUDOV-ARFHVFGLSA-N 2 2 361.490 0.878 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000785728565 1200789508 /nfs/dbraw/zinc/78/95/08/1200789508.db2.gz CAPVJHILKOMEPA-BRWVUGGUSA-N 2 2 369.506 0.875 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000785728565 1200789511 /nfs/dbraw/zinc/78/95/11/1200789511.db2.gz CAPVJHILKOMEPA-BRWVUGGUSA-N 2 2 369.506 0.875 10 0 FCAELP O=C(CCCc1nn[nH]n1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001136462359 1203207328 /nfs/dbraw/zinc/20/73/28/1203207328.db2.gz FVMWQYXUPUPUTI-UHFFFAOYSA-N 2 2 358.450 0.246 10 0 FCAELP CCON(C)C(=O)CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000845010026 1204455874 /nfs/dbraw/zinc/45/58/74/1204455874.db2.gz CDSHEGVXGCLHQP-UHFFFAOYSA-N 2 2 369.510 0.646 10 0 FCAELP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001147765180 1204806318 /nfs/dbraw/zinc/80/63/18/1204806318.db2.gz RYKWKTMWZUODOD-YESZJQIVSA-N 2 2 366.506 0.156 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)[NH+](C)C)CC1 ZINC001180928197 1206402175 /nfs/dbraw/zinc/40/21/75/1206402175.db2.gz XVFBVSBWPXUZFH-AEFFLSMTSA-N 2 2 360.502 0.828 10 0 FCAELP CN(CCC[N@H+](C)[C@H]1CCC(=O)NC1=O)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001273560954 1207451655 /nfs/dbraw/zinc/45/16/55/1207451655.db2.gz RSWFFLPUMHQNCO-MCIONIFRSA-N 2 2 361.446 0.109 10 0 FCAELP CN(CCC[N@@H+](C)[C@H]1CCC(=O)NC1=O)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001273560954 1207451657 /nfs/dbraw/zinc/45/16/57/1207451657.db2.gz RSWFFLPUMHQNCO-MCIONIFRSA-N 2 2 361.446 0.109 10 0 FCAELP C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000775420010 1207733966 /nfs/dbraw/zinc/73/39/66/1207733966.db2.gz HDWOMPXGJZPJCL-CABCVRRESA-N 2 2 369.510 0.931 10 0 FCAELP C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+](C)C2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000775420010 1207733972 /nfs/dbraw/zinc/73/39/72/1207733972.db2.gz HDWOMPXGJZPJCL-CABCVRRESA-N 2 2 369.510 0.931 10 0 FCAELP C[NH+]1CCC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000775420010 1207733980 /nfs/dbraw/zinc/73/39/80/1207733980.db2.gz HDWOMPXGJZPJCL-CABCVRRESA-N 2 2 369.510 0.931 10 0 FCAELP C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)NC(=O)C12CC[NH+](CC1)C2 ZINC001487910762 1208406889 /nfs/dbraw/zinc/40/68/89/1208406889.db2.gz CHFFVLNBPSMDNA-RBSFLKMASA-N 2 2 359.474 0.583 10 0 FCAELP C[NH+](C)CCC(=O)N1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001488863581 1208555160 /nfs/dbraw/zinc/55/51/60/1208555160.db2.gz HXVJXHWNCCXAJP-RRFJBIMHSA-N 2 2 363.462 0.199 10 0 FCAELP C[NH+](C)CCC(=O)N1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001488863581 1208555166 /nfs/dbraw/zinc/55/51/66/1208555166.db2.gz HXVJXHWNCCXAJP-RRFJBIMHSA-N 2 2 363.462 0.199 10 0 FCAELP Cn1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C(C)(C)[NH+]3CCCCC3)C2)n1 ZINC001488912120 1208566185 /nfs/dbraw/zinc/56/61/85/1208566185.db2.gz KUIBYKBZRBTAOE-LSDHHAIUSA-N 2 2 363.510 0.849 10 0 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C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CCCS(C)(=O)=O ZINC001489280761 1208757331 /nfs/dbraw/zinc/75/73/31/1208757331.db2.gz LJRVRULBALSHGL-CABCVRRESA-N 2 2 359.536 0.875 10 0 FCAELP CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001489460616 1208845498 /nfs/dbraw/zinc/84/54/98/1208845498.db2.gz GOBZDJYFKKBMAR-BFYDXBDKSA-N 2 2 361.490 0.749 10 0 FCAELP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001489460616 1208845499 /nfs/dbraw/zinc/84/54/99/1208845499.db2.gz GOBZDJYFKKBMAR-BFYDXBDKSA-N 2 2 361.490 0.749 10 0 FCAELP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001490238116 1209283574 /nfs/dbraw/zinc/28/35/74/1209283574.db2.gz QINBJXKFNAPXJE-IFXJQAMLSA-N 2 2 361.490 0.989 10 0 FCAELP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001490238116 1209283575 /nfs/dbraw/zinc/28/35/75/1209283575.db2.gz QINBJXKFNAPXJE-IFXJQAMLSA-N 2 2 361.490 0.989 10 0 FCAELP 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ATKWQTDPLLBNJU-INIZCTEOSA-N 2 2 369.510 0.444 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CON=C(N)C[NH+]2CCCCC2)C1 ZINC000902655961 1218300922 /nfs/dbraw/zinc/30/09/22/1218300922.db2.gz ATKWQTDPLLBNJU-INIZCTEOSA-N 2 2 369.510 0.444 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@H]1CC[NH3+] ZINC000903759189 1218518009 /nfs/dbraw/zinc/51/80/09/1218518009.db2.gz PTGBKBNKPDRHDX-SJLPKXTDSA-N 2 2 358.486 0.774 10 0 FCAELP CC(C)C[C@H](NC(=O)NCC[N@@H+]1CCO[C@H](C)C1)C(=O)NCC[NH+](C)C ZINC000759354586 1220308516 /nfs/dbraw/zinc/30/85/16/1220308516.db2.gz IUWQJFSUEILOCB-CVEARBPZSA-N 2 2 371.526 0.099 10 0 FCAELP CC(C)C[C@H](NC(=O)NCC[N@H+]1CCO[C@H](C)C1)C(=O)NCC[NH+](C)C ZINC000759354586 1220308521 /nfs/dbraw/zinc/30/85/21/1220308521.db2.gz IUWQJFSUEILOCB-CVEARBPZSA-N 2 2 371.526 0.099 10 0 FCAELP C[NH2+][C@@H](C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1)c1cnn(C)c1 ZINC001118572081 1221802156 /nfs/dbraw/zinc/80/21/56/1221802156.db2.gz MXTCTYFXZLJHBR-RBUKOAKNSA-N 2 2 370.501 0.613 10 0 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ZINC001702315617 1290022869 /nfs/dbraw/zinc/02/28/69/1290022869.db2.gz RRJUIJWNTMEROW-HZPDHXFCSA-N 2 2 359.430 0.470 10 0 FCAELP C[NH+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001739552790 1290151080 /nfs/dbraw/zinc/15/10/80/1290151080.db2.gz SCBPDJYIKZRAEX-ZWKOTPCHSA-N 2 2 369.469 0.946 10 0 FCAELP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001740036897 1290474927 /nfs/dbraw/zinc/47/49/27/1290474927.db2.gz WHWAKPVQDBBGSU-CVEARBPZSA-N 2 2 361.490 0.989 10 0 FCAELP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001740036897 1290474931 /nfs/dbraw/zinc/47/49/31/1290474931.db2.gz WHWAKPVQDBBGSU-CVEARBPZSA-N 2 2 361.490 0.989 10 0 FCAELP C[NH+](C)[C@]1(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)COc2ccccc2C1 ZINC001627864954 1290489887 /nfs/dbraw/zinc/48/98/87/1290489887.db2.gz DJIOLCHCXIEKFZ-PXNSSMCTSA-N 2 2 361.486 0.885 10 0 FCAELP C[NH+](C)[C@]1(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)COc2ccccc2C1 ZINC001627864954 1290489895 /nfs/dbraw/zinc/48/98/95/1290489895.db2.gz DJIOLCHCXIEKFZ-PXNSSMCTSA-N 2 2 361.486 0.885 10 0 FCAELP C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001740435364 1290557331 /nfs/dbraw/zinc/55/73/31/1290557331.db2.gz OIMLXUSFLHXUOK-LPHOPBHVSA-N 2 2 361.490 0.970 10 0 FCAELP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NC[C@H]2CCOC2)[C@@H]1C ZINC001750927364 1290605369 /nfs/dbraw/zinc/60/53/69/1290605369.db2.gz MMQGCVATNYFYMF-OAGGEKHMSA-N 2 2 354.495 0.058 10 0 FCAELP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCOC2)[C@@H]1C ZINC001750927364 1290605387 /nfs/dbraw/zinc/60/53/87/1290605387.db2.gz MMQGCVATNYFYMF-OAGGEKHMSA-N 2 2 354.495 0.058 10 0 FCAELP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCOC2)[C@@H]1C ZINC001750927364 1290605399 /nfs/dbraw/zinc/60/53/99/1290605399.db2.gz MMQGCVATNYFYMF-OAGGEKHMSA-N 2 2 354.495 0.058 10 0 FCAELP Cn1c[nH+]cc1C1CC[NH+](CC(=O)N2CCN(c3cnccn3)CC2)CC1 ZINC001648644405 1291134967 /nfs/dbraw/zinc/13/49/67/1291134967.db2.gz GVTDBTXFTSXFCU-UHFFFAOYSA-N 2 2 369.473 0.738 10 0 FCAELP CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C(C)(C)C1 ZINC001652604126 1291286622 /nfs/dbraw/zinc/28/66/22/1291286622.db2.gz RNQUYMDKVOBEIK-JKSUJKDBSA-N 2 2 366.506 0.014 10 0 FCAELP CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C(C)(C)C1 ZINC001652604126 1291286632 /nfs/dbraw/zinc/28/66/32/1291286632.db2.gz RNQUYMDKVOBEIK-JKSUJKDBSA-N 2 2 366.506 0.014 10 0 FCAELP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H]2COC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC001655018459 1291449969 /nfs/dbraw/zinc/44/99/69/1291449969.db2.gz WSXVMGBAIKAUJL-MPGHIAIKSA-N 2 2 358.479 0.216 10 0 FCAELP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H]2COC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC001655018459 1291449972 /nfs/dbraw/zinc/44/99/72/1291449972.db2.gz WSXVMGBAIKAUJL-MPGHIAIKSA-N 2 2 358.479 0.216 10 0 FCAELP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H]2COC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC001655018459 1291449974 /nfs/dbraw/zinc/44/99/74/1291449974.db2.gz WSXVMGBAIKAUJL-MPGHIAIKSA-N 2 2 358.479 0.216 10 0 FCAELP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H]2COC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC001655018459 1291449977 /nfs/dbraw/zinc/44/99/77/1291449977.db2.gz WSXVMGBAIKAUJL-MPGHIAIKSA-N 2 2 358.479 0.216 10 0 FCAELP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)CC1 ZINC001655749321 1291483006 /nfs/dbraw/zinc/48/30/06/1291483006.db2.gz PUEUHNNQUILBEM-DAYGRLMNSA-N 2 2 352.479 0.559 10 0 FCAELP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)CC1 ZINC001655749321 1291483009 /nfs/dbraw/zinc/48/30/09/1291483009.db2.gz PUEUHNNQUILBEM-DAYGRLMNSA-N 2 2 352.479 0.559 10 0 FCAELP CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)CC1 ZINC001655749321 1291483012 /nfs/dbraw/zinc/48/30/12/1291483012.db2.gz PUEUHNNQUILBEM-DAYGRLMNSA-N 2 2 352.479 0.559 10 0 FCAELP CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)CC1 ZINC001655749321 1291483015 /nfs/dbraw/zinc/48/30/15/1291483015.db2.gz PUEUHNNQUILBEM-DAYGRLMNSA-N 2 2 352.479 0.559 10 0 FCAELP NS(=O)(=O)CCC[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001660342160 1291656023 /nfs/dbraw/zinc/65/60/23/1291656023.db2.gz BBMKVQCHEOAOOV-UHFFFAOYSA-N 2 2 355.504 0.890 10 0 FCAELP NS(=O)(=O)CCC[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001660342160 1291656031 /nfs/dbraw/zinc/65/60/31/1291656031.db2.gz BBMKVQCHEOAOOV-UHFFFAOYSA-N 2 2 355.504 0.890 10 0 FCAELP NS(=O)(=O)CCC[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001660342160 1291656041 /nfs/dbraw/zinc/65/60/41/1291656041.db2.gz BBMKVQCHEOAOOV-UHFFFAOYSA-N 2 2 355.504 0.890 10 0 FCAELP NS(=O)(=O)CCC[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001660342160 1291656047 /nfs/dbraw/zinc/65/60/47/1291656047.db2.gz BBMKVQCHEOAOOV-UHFFFAOYSA-N 2 2 355.504 0.890 10 0 FCAELP CC(C)C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001667109066 1291928409 /nfs/dbraw/zinc/92/84/09/1291928409.db2.gz XLBPXECKQZROOB-FVQBIDKESA-N 2 2 359.478 0.973 10 0 FCAELP CCC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)[C@@H]1CC ZINC001684969826 1292386838 /nfs/dbraw/zinc/38/68/38/1292386838.db2.gz UDKMXJSQNMSJOS-BBWFWOEESA-N 2 2 368.522 0.545 10 0 FCAELP CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)[C@@H]1CC ZINC001684969826 1292386847 /nfs/dbraw/zinc/38/68/47/1292386847.db2.gz UDKMXJSQNMSJOS-BBWFWOEESA-N 2 2 368.522 0.545 10 0 FCAELP CCC[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H]1CC ZINC001684969826 1292386857 /nfs/dbraw/zinc/38/68/57/1292386857.db2.gz UDKMXJSQNMSJOS-BBWFWOEESA-N 2 2 368.522 0.545 10 0 FCAELP CCC[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H]1CC ZINC001684969826 1292386864 /nfs/dbraw/zinc/38/68/64/1292386864.db2.gz UDKMXJSQNMSJOS-BBWFWOEESA-N 2 2 368.522 0.545 10 0 FCAELP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH+]cn1C)C2 ZINC001686228921 1292842698 /nfs/dbraw/zinc/84/26/98/1292842698.db2.gz LPGVHOOBYFHVOT-OIISXLGYSA-N 2 2 370.457 0.806 10 0 FCAELP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](CC(=O)NCC2CCC2)C1 ZINC001276381018 861434816 /nfs/dbraw/zinc/43/48/16/861434816.db2.gz HPSMQRXHSLJJFO-JJRVBVJISA-N 2 2 350.507 0.679 10 0 FCAELP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](CC(=O)NCC2CCC2)C1 ZINC001276381018 861434819 /nfs/dbraw/zinc/43/48/19/861434819.db2.gz HPSMQRXHSLJJFO-JJRVBVJISA-N 2 2 350.507 0.679 10 0 FCAELP COC1(CS(=O)(=O)N2CC[C@@H]([NH+]3CCC([NH3+])CC3)C2)CCOCC1 ZINC001119559666 847886833 /nfs/dbraw/zinc/88/68/33/847886833.db2.gz MOSMFXOTFBATES-OAHLLOKOSA-N 2 2 361.508 0.009 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)NCC2([NH+](C)C)CCC2)n1 ZINC001119808735 847986979 /nfs/dbraw/zinc/98/69/79/847986979.db2.gz ZITAQCWYYSIDRN-UHFFFAOYSA-N 2 2 353.492 0.421 10 0 FCAELP CN(C[C@@H](O)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1)CC(F)(F)F ZINC001190829139 851968782 /nfs/dbraw/zinc/96/87/82/851968782.db2.gz ZSPWFURHOCUWNL-CQSZACIVSA-N 2 2 366.428 0.081 10 0 FCAELP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC001261890313 858701271 /nfs/dbraw/zinc/70/12/71/858701271.db2.gz AXUPIPPEKIOJLK-ADEWGFFLSA-N 2 2 350.385 0.168 10 0 FCAELP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC001261890313 858701274 /nfs/dbraw/zinc/70/12/74/858701274.db2.gz AXUPIPPEKIOJLK-ADEWGFFLSA-N 2 2 350.385 0.168 10 0 FCAELP COCC(COC)[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@@H+]3C2)CC1 ZINC001263841919 859219068 /nfs/dbraw/zinc/21/90/68/859219068.db2.gz YVOXXXGPFQBUTC-GVDBMIGSSA-N 2 2 353.507 0.912 10 0 FCAELP COCC(COC)[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@H+]3C2)CC1 ZINC001263841919 859219081 /nfs/dbraw/zinc/21/90/81/859219081.db2.gz YVOXXXGPFQBUTC-GVDBMIGSSA-N 2 2 353.507 0.912 10 0 FCAELP O=C(NC[C@H]1CC[C@@H]([NH2+]CCCO)C1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001263917138 859240222 /nfs/dbraw/zinc/24/02/22/859240222.db2.gz STPMPNLDMVFHQG-LZLYRXPVSA-N 2 2 353.507 0.887 10 0 FCAELP O=C(NC[C@H]1CC[C@@H]([NH2+]CCCO)C1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001263917138 859240228 /nfs/dbraw/zinc/24/02/28/859240228.db2.gz STPMPNLDMVFHQG-LZLYRXPVSA-N 2 2 353.507 0.887 10 0 FCAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001264004266 859276355 /nfs/dbraw/zinc/27/63/55/859276355.db2.gz RBPNYUIXWXLBSL-FMKPAKJESA-N 2 2 370.519 0.850 10 0 FCAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001264004266 859276364 /nfs/dbraw/zinc/27/63/64/859276364.db2.gz RBPNYUIXWXLBSL-FMKPAKJESA-N 2 2 370.519 0.850 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001264055893 859290854 /nfs/dbraw/zinc/29/08/54/859290854.db2.gz SHDBNLFVGJDSGC-UONOGXRCSA-N 2 2 350.467 0.062 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001264055893 859290861 /nfs/dbraw/zinc/29/08/61/859290861.db2.gz SHDBNLFVGJDSGC-UONOGXRCSA-N 2 2 350.467 0.062 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[NH+]1Cc1nc(=O)n(C)[nH]1 ZINC001264055893 859290868 /nfs/dbraw/zinc/29/08/68/859290868.db2.gz SHDBNLFVGJDSGC-UONOGXRCSA-N 2 2 350.467 0.062 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1Cc1nc(=O)n(C)[nH]1 ZINC001264055893 859290873 /nfs/dbraw/zinc/29/08/73/859290873.db2.gz SHDBNLFVGJDSGC-UONOGXRCSA-N 2 2 350.467 0.062 10 0 FCAELP CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001264172777 859341183 /nfs/dbraw/zinc/34/11/83/859341183.db2.gz PZVFCANPUKYHSY-PMPSAXMXSA-N 2 2 359.536 0.730 10 0 FCAELP CC(C)S(=O)(=O)CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001264172777 859341193 /nfs/dbraw/zinc/34/11/93/859341193.db2.gz PZVFCANPUKYHSY-PMPSAXMXSA-N 2 2 359.536 0.730 10 0 FCAELP CC(C)S(=O)(=O)CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001264172777 859341203 /nfs/dbraw/zinc/34/12/03/859341203.db2.gz PZVFCANPUKYHSY-PMPSAXMXSA-N 2 2 359.536 0.730 10 0 FCAELP CC(C)S(=O)(=O)CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001264172777 859341215 /nfs/dbraw/zinc/34/12/15/859341215.db2.gz PZVFCANPUKYHSY-PMPSAXMXSA-N 2 2 359.536 0.730 10 0 FCAELP CS(=O)(=O)CC1(C[NH2+][C@@H]2CC[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001264484463 859365043 /nfs/dbraw/zinc/36/50/43/859365043.db2.gz RUKZCRJHCAZUDN-UONOGXRCSA-N 2 2 368.503 0.652 10 0 FCAELP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001264655487 859416881 /nfs/dbraw/zinc/41/68/81/859416881.db2.gz BUIJUSDLUPWBRG-QLFBSQMISA-N 2 2 350.463 0.475 10 0 FCAELP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001264655487 859416886 /nfs/dbraw/zinc/41/68/86/859416886.db2.gz BUIJUSDLUPWBRG-QLFBSQMISA-N 2 2 350.463 0.475 10 0 FCAELP C[C@@H](CC(=O)N[C@H]1CC[N@H+](CCN(C)S(C)(=O)=O)[C@@H]1C)n1cc[nH+]c1 ZINC001264721024 859439006 /nfs/dbraw/zinc/43/90/06/859439006.db2.gz DOOBXPZZWZDLHW-ZNMIVQPWSA-N 2 2 371.507 0.305 10 0 FCAELP C[C@@H](CC(=O)N[C@H]1CC[N@@H+](CCN(C)S(C)(=O)=O)[C@@H]1C)n1cc[nH+]c1 ZINC001264721024 859439011 /nfs/dbraw/zinc/43/90/11/859439011.db2.gz DOOBXPZZWZDLHW-ZNMIVQPWSA-N 2 2 371.507 0.305 10 0 FCAELP 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2 362.474 0.602 10 0 FCAELP C[C@H]1COCC[C@@H]1[NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000277368321 212353551 /nfs/dbraw/zinc/35/35/51/212353551.db2.gz HBQHCDQFAWVFMZ-ZFWWWQNUSA-N 2 2 373.461 0.027 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](CCO)c2ccco2)C1 ZINC000185102286 209172463 /nfs/dbraw/zinc/17/24/63/209172463.db2.gz HTPWSQCSJZMIHT-CVEARBPZSA-N 2 2 353.463 0.766 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](CCO)c2ccco2)C1 ZINC000185102286 209172466 /nfs/dbraw/zinc/17/24/66/209172466.db2.gz HTPWSQCSJZMIHT-CVEARBPZSA-N 2 2 353.463 0.766 10 0 FCAELP NS(=O)(=O)c1cccc(NC(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000374208965 217108788 /nfs/dbraw/zinc/10/87/88/217108788.db2.gz OICUHGOMIVLHCG-UHFFFAOYSA-N 2 2 363.443 0.875 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCO[C@]4(CCCOC4)C3)C2)CC1 ZINC000376344108 217387129 /nfs/dbraw/zinc/38/71/29/217387129.db2.gz OAQDNYMKRMDUJL-QFBILLFUSA-N 2 2 366.506 0.746 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCO[C@]4(CCCOC4)C3)C2)CC1 ZINC000376344108 217387133 /nfs/dbraw/zinc/38/71/33/217387133.db2.gz OAQDNYMKRMDUJL-QFBILLFUSA-N 2 2 366.506 0.746 10 0 FCAELP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000419309799 246095105 /nfs/dbraw/zinc/09/51/05/246095105.db2.gz QOAJMESFMNCXPK-GDBMZVCRSA-N 2 2 359.474 0.802 10 0 FCAELP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000419649898 246232031 /nfs/dbraw/zinc/23/20/31/246232031.db2.gz NMWZMLVHJAQVST-GDBMZVCRSA-N 2 2 359.474 0.800 10 0 FCAELP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000419624725 246222460 /nfs/dbraw/zinc/22/24/60/246222460.db2.gz AFNACEWZUYTONT-QGZVFWFLSA-N 2 2 355.442 0.887 10 0 FCAELP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000419649903 246231039 /nfs/dbraw/zinc/23/10/39/246231039.db2.gz NMWZMLVHJAQVST-ZBFHGGJFSA-N 2 2 359.474 0.800 10 0 FCAELP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000419650184 246231140 /nfs/dbraw/zinc/23/11/40/246231140.db2.gz UQZPQIXUPJJNMD-YOEHRIQHSA-N 2 2 355.442 0.804 10 0 FCAELP C[C@@H](NC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1)[C@H](C)[NH+]1CCOCC1 ZINC000419688334 246251498 /nfs/dbraw/zinc/25/14/98/246251498.db2.gz RFAWAYXRUKDGKR-ZNMIVQPWSA-N 2 2 362.474 0.548 10 0 FCAELP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000419844790 246318117 /nfs/dbraw/zinc/31/81/17/246318117.db2.gz OOZXIYNTWJZWAR-CABCVRRESA-N 2 2 359.474 0.794 10 0 FCAELP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000419844793 246318650 /nfs/dbraw/zinc/31/86/50/246318650.db2.gz OOZXIYNTWJZWAR-LSDHHAIUSA-N 2 2 359.474 0.794 10 0 FCAELP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)NCC3C[NH2+]C3)CC2)s1 ZINC000419919278 246368683 /nfs/dbraw/zinc/36/86/83/246368683.db2.gz DYXRLESLYDKADN-UHFFFAOYSA-N 2 2 350.488 0.290 10 0 FCAELP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)s1 ZINC000419879976 246345359 /nfs/dbraw/zinc/34/53/59/246345359.db2.gz ZZFUEUQBQZTZAE-MRXNPFEDSA-N 2 2 364.515 0.808 10 0 FCAELP C[C@H](NC(=O)C(=O)NCc1ccc2c[nH+]cn2c1)[C@H](C)[NH+]1CCOCC1 ZINC000422302842 246784221 /nfs/dbraw/zinc/78/42/21/246784221.db2.gz YVGJLAGNIQWQBX-KBPBESRZSA-N 2 2 359.430 0.176 10 0 FCAELP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000423238415 246984577 /nfs/dbraw/zinc/98/45/77/246984577.db2.gz AENIDYBFCZJXAS-OAHLLOKOSA-N 2 2 354.495 0.143 10 0 FCAELP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000423697224 247113837 /nfs/dbraw/zinc/11/38/37/247113837.db2.gz KLUSHJZRWKUPNM-HNNXBMFYSA-N 2 2 371.441 0.560 10 0 FCAELP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000441177701 248240814 /nfs/dbraw/zinc/24/08/14/248240814.db2.gz BMEJTWXKEGSKDU-GUDVDZBRSA-N 3 2 364.534 0.913 10 0 FCAELP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000441177701 248240816 /nfs/dbraw/zinc/24/08/16/248240816.db2.gz BMEJTWXKEGSKDU-GUDVDZBRSA-N 3 2 364.534 0.913 10 0 FCAELP CN(C(=O)CC1([NH+]2CCOCC2)CCCC1)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000452623383 249325178 /nfs/dbraw/zinc/32/51/78/249325178.db2.gz UDYFJNNHQGDEQE-IRXDYDNUSA-N 2 2 351.491 0.953 10 0 FCAELP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270584243 211228154 /nfs/dbraw/zinc/22/81/54/211228154.db2.gz DCQCWCPDKXJENJ-DJIMGWMZSA-N 2 2 359.474 0.508 10 0 FCAELP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270584243 211228157 /nfs/dbraw/zinc/22/81/57/211228157.db2.gz DCQCWCPDKXJENJ-DJIMGWMZSA-N 2 2 359.474 0.508 10 0 FCAELP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](NC(N)=O)C1 ZINC000270584243 211228161 /nfs/dbraw/zinc/22/81/61/211228161.db2.gz DCQCWCPDKXJENJ-DJIMGWMZSA-N 2 2 359.474 0.508 10 0 FCAELP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](NC(N)=O)C1 ZINC000270584243 211228164 /nfs/dbraw/zinc/22/81/64/211228164.db2.gz DCQCWCPDKXJENJ-DJIMGWMZSA-N 2 2 359.474 0.508 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCSC[C@@H]2CCO)C1 ZINC000470364002 250038566 /nfs/dbraw/zinc/03/85/66/250038566.db2.gz KTWHBTDXOBAUCD-HOTGVXAUSA-N 2 2 359.536 0.259 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCSC[C@@H]2CCO)C1 ZINC000470364002 250038571 /nfs/dbraw/zinc/03/85/71/250038571.db2.gz KTWHBTDXOBAUCD-HOTGVXAUSA-N 2 2 359.536 0.259 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCSC[C@@H]2CCO)C1 ZINC000470364002 250038572 /nfs/dbraw/zinc/03/85/72/250038572.db2.gz KTWHBTDXOBAUCD-HOTGVXAUSA-N 2 2 359.536 0.259 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCSC[C@@H]2CCO)C1 ZINC000470364002 250038575 /nfs/dbraw/zinc/03/85/75/250038575.db2.gz KTWHBTDXOBAUCD-HOTGVXAUSA-N 2 2 359.536 0.259 10 0 FCAELP CC[NH+](CC)CCCNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000498120666 250615972 /nfs/dbraw/zinc/61/59/72/250615972.db2.gz HDSFORAVRJOJTN-UHFFFAOYSA-N 2 2 367.538 0.962 10 0 FCAELP Cc1ccc(N2CCC(NC(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)[nH+]c1 ZINC000073944003 208049764 /nfs/dbraw/zinc/04/97/64/208049764.db2.gz QVQAJVHGSOMLSH-MRXNPFEDSA-N 2 2 373.501 0.885 10 0 FCAELP C[NH+]1CCC(CNC(=O)N2CCNC(=O)CC2)([NH+]2CCCCC2)CC1 ZINC000074767864 208057565 /nfs/dbraw/zinc/05/75/65/208057565.db2.gz DDRHCZHFEXNDHT-UHFFFAOYSA-N 2 2 351.495 0.468 10 0 FCAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CC(=O)N3CCC[C@@H](C)C3)CC2)C1 ZINC000106122784 208208526 /nfs/dbraw/zinc/20/85/26/208208526.db2.gz DZUSPFURMPXWOC-MOPGFXCFSA-N 2 2 366.550 0.972 10 0 FCAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CC(=O)N3CCC[C@@H](C)C3)CC2)C1 ZINC000106122784 208208531 /nfs/dbraw/zinc/20/85/31/208208531.db2.gz DZUSPFURMPXWOC-MOPGFXCFSA-N 2 2 366.550 0.972 10 0 FCAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CC(=O)N3CCC[C@@H](C)C3)CC2)C1 ZINC000106122777 208209010 /nfs/dbraw/zinc/20/90/10/208209010.db2.gz DZUSPFURMPXWOC-RTBURBONSA-N 2 2 366.550 0.972 10 0 FCAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CC(=O)N3CCC[C@@H](C)C3)CC2)C1 ZINC000106122777 208209015 /nfs/dbraw/zinc/20/90/15/208209015.db2.gz DZUSPFURMPXWOC-RTBURBONSA-N 2 2 366.550 0.972 10 0 FCAELP C[N@@H+]1CCO[C@@H](CNC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000104787894 208187328 /nfs/dbraw/zinc/18/73/28/208187328.db2.gz MKYMRRYJMGYMRY-SFHVURJKSA-N 2 2 362.474 0.649 10 0 FCAELP C[N@H+]1CCO[C@@H](CNC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000104787894 208187333 /nfs/dbraw/zinc/18/73/33/208187333.db2.gz MKYMRRYJMGYMRY-SFHVURJKSA-N 2 2 362.474 0.649 10 0 FCAELP C[NH+](C)CCOc1ccccc1CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000104793253 208187417 /nfs/dbraw/zinc/18/74/17/208187417.db2.gz ZCSJTGJIWKGOMP-MRXNPFEDSA-N 2 2 350.463 0.757 10 0 FCAELP C[NH+](C)CCOc1ccccc1CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000104793253 208187423 /nfs/dbraw/zinc/18/74/23/208187423.db2.gz ZCSJTGJIWKGOMP-MRXNPFEDSA-N 2 2 350.463 0.757 10 0 FCAELP C[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000105192058 208194982 /nfs/dbraw/zinc/19/49/82/208194982.db2.gz AIQJLNZOWBSQTE-INIZCTEOSA-N 2 2 374.489 0.677 10 0 FCAELP C[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000105192058 208194988 /nfs/dbraw/zinc/19/49/88/208194988.db2.gz AIQJLNZOWBSQTE-INIZCTEOSA-N 2 2 374.489 0.677 10 0 FCAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CC(=O)N3CCC(C)CC3)CC2)C1 ZINC000106124111 208212209 /nfs/dbraw/zinc/21/22/09/208212209.db2.gz SWFQNQCIUVGRKG-IBGZPJMESA-N 2 2 366.550 0.972 10 0 FCAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CC(=O)N3CCC(C)CC3)CC2)C1 ZINC000106124111 208212211 /nfs/dbraw/zinc/21/22/11/208212211.db2.gz SWFQNQCIUVGRKG-IBGZPJMESA-N 2 2 366.550 0.972 10 0 FCAELP C[C@H]1CN(C(=O)C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)C[C@H](C)O1 ZINC000106129995 208214440 /nfs/dbraw/zinc/21/44/40/208214440.db2.gz SIFRVIWGKCZPLH-IRXDYDNUSA-N 2 2 363.506 0.915 10 0 FCAELP C[C@H]1CN(C(=O)C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)C[C@H](C)O1 ZINC000106129995 208214447 /nfs/dbraw/zinc/21/44/47/208214447.db2.gz SIFRVIWGKCZPLH-IRXDYDNUSA-N 2 2 363.506 0.915 10 0 FCAELP Cn1cnc2c1c(=O)n(CCC[NH+]1CCC(n3cc[nH+]c3)CC1)c(=O)n2C ZINC000111244645 208280122 /nfs/dbraw/zinc/28/01/22/208280122.db2.gz MITFLDWWRONBOT-UHFFFAOYSA-N 2 2 371.445 0.357 10 0 FCAELP C[NH+]1CCCC[C@H]1CN1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000108575183 208249030 /nfs/dbraw/zinc/24/90/30/208249030.db2.gz NEMDWOYXGBOEDP-DLBZAZTESA-N 2 2 353.511 0.129 10 0 FCAELP C[NH+]1CCCC[C@H]1CN1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000108575183 208249038 /nfs/dbraw/zinc/24/90/38/208249038.db2.gz NEMDWOYXGBOEDP-DLBZAZTESA-N 2 2 353.511 0.129 10 0 FCAELP C[NH+]1CCO[C@H](CNC(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000108575183 208249044 /nfs/dbraw/zinc/24/90/44/208249044.db2.gz NEMDWOYXGBOEDP-DLBZAZTESA-N 2 2 353.511 0.129 10 0 FCAELP C[NH+]1CCO[C@H](CNC(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000108575183 208249051 /nfs/dbraw/zinc/24/90/51/208249051.db2.gz NEMDWOYXGBOEDP-DLBZAZTESA-N 2 2 353.511 0.129 10 0 FCAELP C[NH+]1CCN(C(=O)CC2CC[NH+](CC(=O)NC3CCCC3)CC2)CC1 ZINC000109789115 208263157 /nfs/dbraw/zinc/26/31/57/208263157.db2.gz ZSDAJWYORWNZEY-UHFFFAOYSA-N 2 2 350.507 0.921 10 0 FCAELP COCC[N@H+](C)CCNC(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000117044123 208340638 /nfs/dbraw/zinc/34/06/38/208340638.db2.gz RTRLZBSJGNSCNB-SFHVURJKSA-N 2 2 364.490 0.625 10 0 FCAELP COCC[N@@H+](C)CCNC(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000117044123 208340644 /nfs/dbraw/zinc/34/06/44/208340644.db2.gz RTRLZBSJGNSCNB-SFHVURJKSA-N 2 2 364.490 0.625 10 0 FCAELP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@H]3C[NH+](C)CCO3)c2C1 ZINC000118115137 208349832 /nfs/dbraw/zinc/34/98/32/208349832.db2.gz UDTRJRQPTSWNQI-OAHLLOKOSA-N 2 2 360.458 0.798 10 0 FCAELP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@H]3C[NH+](C)CCO3)c2C1 ZINC000118115137 208349835 /nfs/dbraw/zinc/34/98/35/208349835.db2.gz UDTRJRQPTSWNQI-OAHLLOKOSA-N 2 2 360.458 0.798 10 0 FCAELP CCC[NH+]1Cc2cccc(NC(=O)C(=O)NC[C@@H]3C[N@H+](C)CCO3)c2C1 ZINC000118115137 208349838 /nfs/dbraw/zinc/34/98/38/208349838.db2.gz UDTRJRQPTSWNQI-OAHLLOKOSA-N 2 2 360.458 0.798 10 0 FCAELP CCC[NH+]1Cc2cccc(NC(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCO3)c2C1 ZINC000118115137 208349841 /nfs/dbraw/zinc/34/98/41/208349841.db2.gz UDTRJRQPTSWNQI-OAHLLOKOSA-N 2 2 360.458 0.798 10 0 FCAELP COC(=O)[C@@]1(C)CCC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000412115386 533115211 /nfs/dbraw/zinc/11/52/11/533115211.db2.gz YFORVIJAFNWCBJ-APWZRJJASA-N 2 2 369.506 0.735 10 0 FCAELP COC(=O)[C@@]1(C)CCC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000412115386 533115227 /nfs/dbraw/zinc/11/52/27/533115227.db2.gz YFORVIJAFNWCBJ-APWZRJJASA-N 2 2 369.506 0.735 10 0 FCAELP COC(=O)[C@@]1(C)CCC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000412115386 533115228 /nfs/dbraw/zinc/11/52/28/533115228.db2.gz YFORVIJAFNWCBJ-APWZRJJASA-N 2 2 369.506 0.735 10 0 FCAELP COC(=O)[C@@]1(C)CCC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000412115386 533115232 /nfs/dbraw/zinc/11/52/32/533115232.db2.gz YFORVIJAFNWCBJ-APWZRJJASA-N 2 2 369.506 0.735 10 0 FCAELP CCN(C(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC000178326480 209048568 /nfs/dbraw/zinc/04/85/68/209048568.db2.gz WWMZYOBCKAGJNE-CVEARBPZSA-N 2 2 368.503 0.692 10 0 FCAELP CCN(C(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC000178326480 209048574 /nfs/dbraw/zinc/04/85/74/209048574.db2.gz WWMZYOBCKAGJNE-CVEARBPZSA-N 2 2 368.503 0.692 10 0 FCAELP O=C(CC[NH+]1CCN(c2ccccc2)CC1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178974003 209069601 /nfs/dbraw/zinc/06/96/01/209069601.db2.gz YQNSITILSFSIBX-IBGZPJMESA-N 2 2 357.502 0.315 10 0 FCAELP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)CC1 ZINC000091712008 229157280 /nfs/dbraw/zinc/15/72/80/229157280.db2.gz YOYUGWDDSHEUKX-IKGGRYGDSA-N 2 2 365.522 0.807 10 0 FCAELP C[C@@H]1CN(CC[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000177258363 229220783 /nfs/dbraw/zinc/22/07/83/229220783.db2.gz WXHSAKDKUAYZLH-JVSBHGNQSA-N 2 2 366.550 0.291 10 0 FCAELP C[C@@H]1CN(CC[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000177258363 229220789 /nfs/dbraw/zinc/22/07/89/229220789.db2.gz WXHSAKDKUAYZLH-JVSBHGNQSA-N 2 2 366.550 0.291 10 0 FCAELP C[C@@H]1C[N@@H+](CCN2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)C[C@@H]1N1CCOCC1 ZINC000177258363 229220792 /nfs/dbraw/zinc/22/07/92/229220792.db2.gz WXHSAKDKUAYZLH-JVSBHGNQSA-N 2 2 366.550 0.291 10 0 FCAELP C[C@@H]1C[N@H+](CCN2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)C[C@@H]1N1CCOCC1 ZINC000177258363 229220795 /nfs/dbraw/zinc/22/07/95/229220795.db2.gz WXHSAKDKUAYZLH-JVSBHGNQSA-N 2 2 366.550 0.291 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N(C)[C@H]3CC[N@@H+](C4CC4)C3)CC2)cc[nH+]1 ZINC000410496537 230102796 /nfs/dbraw/zinc/10/27/96/230102796.db2.gz GAMIQDRDQOJNMG-INIZCTEOSA-N 2 2 372.473 0.129 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N(C)[C@H]3CC[N@H+](C4CC4)C3)CC2)cc[nH+]1 ZINC000410496537 230102801 /nfs/dbraw/zinc/10/28/01/230102801.db2.gz GAMIQDRDQOJNMG-INIZCTEOSA-N 2 2 372.473 0.129 10 0 FCAELP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C[C@H]1CS(N)(=O)=O ZINC000933699225 674268549 /nfs/dbraw/zinc/26/85/49/674268549.db2.gz LKVSJLNFSCAIOZ-HYVNUMGLSA-N 2 2 355.504 0.336 10 0 FCAELP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C[C@H]1CS(N)(=O)=O ZINC000933699225 674268551 /nfs/dbraw/zinc/26/85/51/674268551.db2.gz LKVSJLNFSCAIOZ-HYVNUMGLSA-N 2 2 355.504 0.336 10 0 FCAELP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)C[C@H]1CS(N)(=O)=O ZINC000933699225 674268553 /nfs/dbraw/zinc/26/85/53/674268553.db2.gz LKVSJLNFSCAIOZ-HYVNUMGLSA-N 2 2 355.504 0.336 10 0 FCAELP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)C[C@H]1CS(N)(=O)=O ZINC000933699225 674268555 /nfs/dbraw/zinc/26/85/55/674268555.db2.gz LKVSJLNFSCAIOZ-HYVNUMGLSA-N 2 2 355.504 0.336 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)NC[C@@H](C)[N@H+](C)C3CC3)CC2)cc[nH+]1 ZINC000287730343 488899596 /nfs/dbraw/zinc/89/95/96/488899596.db2.gz GFHPTCQPLORYIZ-CYBMUJFWSA-N 2 2 360.462 0.033 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+](C)C3CC3)CC2)cc[nH+]1 ZINC000287730343 488899599 /nfs/dbraw/zinc/89/95/99/488899599.db2.gz GFHPTCQPLORYIZ-CYBMUJFWSA-N 2 2 360.462 0.033 10 0 FCAELP O=C(C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000278794717 488895842 /nfs/dbraw/zinc/89/58/42/488895842.db2.gz FHWHURYIGJJXSN-HXUWFJFHSA-N 2 2 356.470 0.543 10 0 FCAELP O=C(C[N@H+]1CC[C@@]2(CNC(=O)C2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000278794717 488895844 /nfs/dbraw/zinc/89/58/44/488895844.db2.gz FHWHURYIGJJXSN-HXUWFJFHSA-N 2 2 356.470 0.543 10 0 FCAELP CC(C)(O)C[NH+]1CCN(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000363901803 488898595 /nfs/dbraw/zinc/89/85/95/488898595.db2.gz VIGLOTUYGJMPRO-UHFFFAOYSA-N 2 2 358.446 0.865 10 0 FCAELP C[C@H]1CN(c2cc[nH+]c(N3CCOCC3)n2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000364003482 488911808 /nfs/dbraw/zinc/91/18/08/488911808.db2.gz VVHDUYHQFZPVPI-IRXDYDNUSA-N 2 2 360.506 0.775 10 0 FCAELP CN(CCn1cc[nH+]c1)C(=O)C[C@H]1C(=O)NCC[N@H+]1CCc1ccccc1 ZINC000011936526 487546167 /nfs/dbraw/zinc/54/61/67/487546167.db2.gz UUXPVPSIPSXDRV-SFHVURJKSA-N 2 2 369.469 0.775 10 0 FCAELP CN(CCn1cc[nH+]c1)C(=O)C[C@H]1C(=O)NCC[N@@H+]1CCc1ccccc1 ZINC000011936526 487546174 /nfs/dbraw/zinc/54/61/74/487546174.db2.gz UUXPVPSIPSXDRV-SFHVURJKSA-N 2 2 369.469 0.775 10 0 FCAELP Cc1cc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C(N)=O)CC2)nc(C(C)C)[nH+]1 ZINC000051562818 488137706 /nfs/dbraw/zinc/13/77/06/488137706.db2.gz XXFKMSVSSKMZKR-OAHLLOKOSA-N 2 2 374.489 0.507 10 0 FCAELP Cc1cc(N2CCN(C(=O)C[N@H+]3CCC[C@@H]3C(N)=O)CC2)nc(C(C)C)[nH+]1 ZINC000051562818 488137710 /nfs/dbraw/zinc/13/77/10/488137710.db2.gz XXFKMSVSSKMZKR-OAHLLOKOSA-N 2 2 374.489 0.507 10 0 FCAELP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]2C(=O)Nc2nccs2)CC1 ZINC000364531952 488969432 /nfs/dbraw/zinc/96/94/32/488969432.db2.gz MSCMIIRYPLHSQR-ZDUSSCGKSA-N 2 2 351.476 0.710 10 0 FCAELP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]2C(=O)Nc2nccs2)CC1 ZINC000364531952 488969435 /nfs/dbraw/zinc/96/94/35/488969435.db2.gz MSCMIIRYPLHSQR-ZDUSSCGKSA-N 2 2 351.476 0.710 10 0 FCAELP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000073653521 488385603 /nfs/dbraw/zinc/38/56/03/488385603.db2.gz KCEDBAOHTWSSLY-HUUCEWRRSA-N 2 2 353.511 0.711 10 0 FCAELP C[NH+](C)CCN1C[C@H](C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000074219773 488389241 /nfs/dbraw/zinc/38/92/41/488389241.db2.gz GDDCACHBKDAHNL-OAHLLOKOSA-N 2 2 359.474 0.577 10 0 FCAELP CNC(=O)[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)C(C)C ZINC000183633105 488393433 /nfs/dbraw/zinc/39/34/33/488393433.db2.gz IAFDUQILJMOCKH-IBGZPJMESA-N 2 2 360.502 0.999 10 0 FCAELP CC[C@H](O)C[NH+]1CCN(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000184770729 488397627 /nfs/dbraw/zinc/39/76/27/488397627.db2.gz HUSNDFDHQKYYFM-BBWFWOEESA-N 2 2 370.538 0.972 10 0 FCAELP CC[C@H](O)C[NH+]1CCN(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000184770729 488397630 /nfs/dbraw/zinc/39/76/30/488397630.db2.gz HUSNDFDHQKYYFM-BBWFWOEESA-N 2 2 370.538 0.972 10 0 FCAELP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000184837249 488398154 /nfs/dbraw/zinc/39/81/54/488398154.db2.gz HZKGSUCYHHKRCP-JKSUJKDBSA-N 2 2 356.511 0.441 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000192657420 488423440 /nfs/dbraw/zinc/42/34/40/488423440.db2.gz IDARXDBZYDCZQD-KBPBESRZSA-N 2 2 368.503 0.537 10 0 FCAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000192811901 488424408 /nfs/dbraw/zinc/42/44/08/488424408.db2.gz GSXCDSSXRHDUNL-INIZCTEOSA-N 2 2 373.501 0.919 10 0 FCAELP CC[C@H]1CN(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC000246436762 488472730 /nfs/dbraw/zinc/47/27/30/488472730.db2.gz UAAMDFWFWALYML-ROUUACIJSA-N 2 2 369.554 0.622 10 0 FCAELP C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C[C@H]1C ZINC000246782971 488475416 /nfs/dbraw/zinc/47/54/16/488475416.db2.gz QDJJXZYEXCIWSA-CVEARBPZSA-N 2 2 361.490 0.361 10 0 FCAELP C[C@H](O)C[N@H+]1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C[C@H]1C ZINC000246782971 488475419 /nfs/dbraw/zinc/47/54/19/488475419.db2.gz QDJJXZYEXCIWSA-CVEARBPZSA-N 2 2 361.490 0.361 10 0 FCAELP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C[C@H](C)O1 ZINC000246892925 488477774 /nfs/dbraw/zinc/47/77/74/488477774.db2.gz HFRFDKJGFZDYSH-IXDOHACOSA-N 2 2 354.495 0.602 10 0 FCAELP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C[C@H](C)O1 ZINC000246892925 488477776 /nfs/dbraw/zinc/47/77/76/488477776.db2.gz HFRFDKJGFZDYSH-IXDOHACOSA-N 2 2 354.495 0.602 10 0 FCAELP C[C@@H]1CN(S(=O)(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000097000059 488491305 /nfs/dbraw/zinc/49/13/05/488491305.db2.gz ODGQSYXYOHKBSN-HUUCEWRRSA-N 2 2 362.540 0.298 10 0 FCAELP C[C@@H]1CN(S(=O)(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000097000059 488491308 /nfs/dbraw/zinc/49/13/08/488491308.db2.gz ODGQSYXYOHKBSN-HUUCEWRRSA-N 2 2 362.540 0.298 10 0 FCAELP CC(C)C(=O)N[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000101551206 488495034 /nfs/dbraw/zinc/49/50/34/488495034.db2.gz NWXYGTWESYDZMV-INIZCTEOSA-N 2 2 350.507 0.966 10 0 FCAELP CC(C)C(=O)N[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000101551206 488495036 /nfs/dbraw/zinc/49/50/36/488495036.db2.gz NWXYGTWESYDZMV-INIZCTEOSA-N 2 2 350.507 0.966 10 0 FCAELP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000248577347 488498581 /nfs/dbraw/zinc/49/85/81/488498581.db2.gz DTNHZOUNWKGLRR-TWMKSMIVSA-N 2 2 356.511 0.582 10 0 FCAELP C[C@H](O)C[N@H+]1CCN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000248577347 488498582 /nfs/dbraw/zinc/49/85/82/488498582.db2.gz DTNHZOUNWKGLRR-TWMKSMIVSA-N 2 2 356.511 0.582 10 0 FCAELP C[C@H](O)C[NH+]1CCN(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000248577347 488498583 /nfs/dbraw/zinc/49/85/83/488498583.db2.gz DTNHZOUNWKGLRR-TWMKSMIVSA-N 2 2 356.511 0.582 10 0 FCAELP C[C@H](O)C[NH+]1CCN(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000248577347 488498584 /nfs/dbraw/zinc/49/85/84/488498584.db2.gz DTNHZOUNWKGLRR-TWMKSMIVSA-N 2 2 356.511 0.582 10 0 FCAELP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(C(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000261856605 488539045 /nfs/dbraw/zinc/53/90/45/488539045.db2.gz PFVRPMVKXAJVJL-HOTGVXAUSA-N 2 2 350.507 0.968 10 0 FCAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000119267408 488556463 /nfs/dbraw/zinc/55/64/63/488556463.db2.gz RBPSWVQAHONHEW-KRWDZBQOSA-N 2 2 355.504 0.480 10 0 FCAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000119267408 488556466 /nfs/dbraw/zinc/55/64/66/488556466.db2.gz RBPSWVQAHONHEW-KRWDZBQOSA-N 2 2 355.504 0.480 10 0 FCAELP O[C@H](C[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)CN1CCOCC1 ZINC000562989531 491206030 /nfs/dbraw/zinc/20/60/30/491206030.db2.gz MEFSTPGXUBNTKU-GOSISDBHSA-N 2 2 355.523 0.552 10 0 FCAELP C[C@H](CNC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000121637339 488569504 /nfs/dbraw/zinc/56/95/04/488569504.db2.gz DPIQZELJFDBMDF-MRXNPFEDSA-N 2 2 356.511 0.707 10 0 FCAELP C[N@@H+]1CCN(C(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)[C@H](C[NH3+])C1 ZINC000563101299 491215338 /nfs/dbraw/zinc/21/53/38/491215338.db2.gz BAYGBPYLZSVNNY-OLZOCXBDSA-N 2 2 352.385 0.419 10 0 FCAELP C[N@H+]1CCN(C(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)[C@H](C[NH3+])C1 ZINC000563101299 491215339 /nfs/dbraw/zinc/21/53/39/491215339.db2.gz BAYGBPYLZSVNNY-OLZOCXBDSA-N 2 2 352.385 0.419 10 0 FCAELP C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)CSCC(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C ZINC000155068374 488750547 /nfs/dbraw/zinc/75/05/47/488750547.db2.gz LGYXLIPADCWXFG-YHUYYLMFSA-N 2 2 370.563 0.822 10 0 FCAELP C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)CSCC(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C ZINC000155068374 488750549 /nfs/dbraw/zinc/75/05/49/488750549.db2.gz LGYXLIPADCWXFG-YHUYYLMFSA-N 2 2 370.563 0.822 10 0 FCAELP C[C@H]([NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)c1cn[nH]c1 ZINC000275220900 488774255 /nfs/dbraw/zinc/77/42/55/488774255.db2.gz UKTKJIVRPMSQSL-LBPRGKRZSA-N 2 2 369.433 0.086 10 0 FCAELP C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C1 ZINC000162290428 488801476 /nfs/dbraw/zinc/80/14/76/488801476.db2.gz UAGUPUNQWPRZNY-IBGZPJMESA-N 2 2 361.486 0.951 10 0 FCAELP C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C1 ZINC000162290428 488801477 /nfs/dbraw/zinc/80/14/77/488801477.db2.gz UAGUPUNQWPRZNY-IBGZPJMESA-N 2 2 361.486 0.951 10 0 FCAELP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000162608875 488804073 /nfs/dbraw/zinc/80/40/73/488804073.db2.gz DAGKYBYKMWWMPA-RBUKOAKNSA-N 2 2 361.486 0.803 10 0 FCAELP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000162608875 488804076 /nfs/dbraw/zinc/80/40/76/488804076.db2.gz DAGKYBYKMWWMPA-RBUKOAKNSA-N 2 2 361.486 0.803 10 0 FCAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000171641031 488824924 /nfs/dbraw/zinc/82/49/24/488824924.db2.gz UADHZYIWSURANP-INIZCTEOSA-N 2 2 371.485 0.896 10 0 FCAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000171641031 488824925 /nfs/dbraw/zinc/82/49/25/488824925.db2.gz UADHZYIWSURANP-INIZCTEOSA-N 2 2 371.485 0.896 10 0 FCAELP Cc1csc(NC(=O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)n1 ZINC000171656813 488825242 /nfs/dbraw/zinc/82/52/42/488825242.db2.gz AGUXUHHXJUPCDG-UHFFFAOYSA-N 2 2 353.492 0.780 10 0 FCAELP C[NH+]1CCN(c2cc(C(=O)NCC[N@@H+]3CCOCC3(C)C)ccn2)CC1 ZINC000171803735 488827119 /nfs/dbraw/zinc/82/71/19/488827119.db2.gz POCBNZCNFHDIIM-UHFFFAOYSA-N 2 2 361.490 0.674 10 0 FCAELP C[NH+]1CCN(c2cc(C(=O)NCC[N@H+]3CCOCC3(C)C)ccn2)CC1 ZINC000171803735 488827120 /nfs/dbraw/zinc/82/71/20/488827120.db2.gz POCBNZCNFHDIIM-UHFFFAOYSA-N 2 2 361.490 0.674 10 0 FCAELP C[NH+]1CCC(CNC(=O)C[C@@H]2CCS(=O)(=O)C2)([NH+]2CCCCC2)CC1 ZINC000172749295 488837476 /nfs/dbraw/zinc/83/74/76/488837476.db2.gz OXBRLJISXRCGPI-INIZCTEOSA-N 2 2 371.547 0.878 10 0 FCAELP CC(C)[C@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[NH+]1CCN(C)CC1 ZINC000173795561 488845358 /nfs/dbraw/zinc/84/53/58/488845358.db2.gz QLDKATOMELTGSF-ROUUACIJSA-N 2 2 367.538 0.375 10 0 FCAELP CC(C)Cn1cc[nH+]c1CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000173818597 488845559 /nfs/dbraw/zinc/84/55/59/488845559.db2.gz QWSWLIBPJIWYQM-UHFFFAOYSA-N 2 2 350.467 0.502 10 0 FCAELP O=C(CC[N@@H+]1CC[C@H](N2CCOCC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000173937853 488846496 /nfs/dbraw/zinc/84/64/96/488846496.db2.gz VNRHVTGYGATBHY-SFHVURJKSA-N 2 2 373.501 0.527 10 0 FCAELP O=C(CC[N@H+]1CC[C@H](N2CCOCC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000173937853 488846497 /nfs/dbraw/zinc/84/64/97/488846497.db2.gz VNRHVTGYGATBHY-SFHVURJKSA-N 2 2 373.501 0.527 10 0 FCAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)C(=O)NCCCOC)nc[nH+]1 ZINC000174287974 488848343 /nfs/dbraw/zinc/84/83/43/488848343.db2.gz PZJWBYCSLMTMJV-ZIAGYGMSSA-N 2 2 350.467 0.618 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@@H](C)CN2CCOCC2)C1 ZINC000365186297 489047256 /nfs/dbraw/zinc/04/72/56/489047256.db2.gz WRODEHSQADRGKV-ROUUACIJSA-N 2 2 370.538 0.112 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@@H](C)CN2CCOCC2)C1 ZINC000365186297 489047258 /nfs/dbraw/zinc/04/72/58/489047258.db2.gz WRODEHSQADRGKV-ROUUACIJSA-N 2 2 370.538 0.112 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)[C@@H](C)CN2CCOCC2)C1 ZINC000365186297 489047263 /nfs/dbraw/zinc/04/72/63/489047263.db2.gz WRODEHSQADRGKV-ROUUACIJSA-N 2 2 370.538 0.112 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)[C@@H](C)CN2CCOCC2)C1 ZINC000365186297 489047265 /nfs/dbraw/zinc/04/72/65/489047265.db2.gz WRODEHSQADRGKV-ROUUACIJSA-N 2 2 370.538 0.112 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@H]([NH+](C)C)CC2)C1 ZINC000365405174 489071910 /nfs/dbraw/zinc/07/19/10/489071910.db2.gz RUHMNPFRBUBRNL-ROUUACIJSA-N 3 2 354.539 0.876 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@H]([NH+](C)C)CC2)C1 ZINC000365405174 489071913 /nfs/dbraw/zinc/07/19/13/489071913.db2.gz RUHMNPFRBUBRNL-ROUUACIJSA-N 3 2 354.539 0.876 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)C1 ZINC000365405174 489071916 /nfs/dbraw/zinc/07/19/16/489071916.db2.gz RUHMNPFRBUBRNL-ROUUACIJSA-N 3 2 354.539 0.876 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC[C@H]([NH+](C)C)CC2)C1 ZINC000365405174 489071919 /nfs/dbraw/zinc/07/19/19/489071919.db2.gz RUHMNPFRBUBRNL-ROUUACIJSA-N 3 2 354.539 0.876 10 0 FCAELP Cn1c(=O)cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n(C)c1=O ZINC000282193872 489143321 /nfs/dbraw/zinc/14/33/21/489143321.db2.gz WSRLCFSGFDESCS-AWEZNQCLSA-N 2 2 357.458 0.996 10 0 FCAELP Cn1c(=O)cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n(C)c1=O ZINC000282193872 489143323 /nfs/dbraw/zinc/14/33/23/489143323.db2.gz WSRLCFSGFDESCS-AWEZNQCLSA-N 2 2 357.458 0.996 10 0 FCAELP Cn1c(=O)cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n(C)c1=O ZINC000282193876 489143854 /nfs/dbraw/zinc/14/38/54/489143854.db2.gz WSRLCFSGFDESCS-CQSZACIVSA-N 2 2 357.458 0.996 10 0 FCAELP Cn1c(=O)cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n(C)c1=O ZINC000282193876 489143857 /nfs/dbraw/zinc/14/38/57/489143857.db2.gz WSRLCFSGFDESCS-CQSZACIVSA-N 2 2 357.458 0.996 10 0 FCAELP CC1(C)NC(=O)CC[C@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000555065433 491236988 /nfs/dbraw/zinc/23/69/88/491236988.db2.gz QRPZPYPHHQGJHO-OAHLLOKOSA-N 2 2 359.474 0.767 10 0 FCAELP CC(C)[C@H](CNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1)[NH+]1CCOCC1 ZINC000332752889 489225563 /nfs/dbraw/zinc/22/55/63/489225563.db2.gz HEOHFLQWLOBOIX-GVDBMIGSSA-N 2 2 354.495 0.458 10 0 FCAELP CC(C)[C@H](CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1)[NH+]1CCOCC1 ZINC000332752889 489225566 /nfs/dbraw/zinc/22/55/66/489225566.db2.gz HEOHFLQWLOBOIX-GVDBMIGSSA-N 2 2 354.495 0.458 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(c4cccnn4)CC3)C2)CC1 ZINC000369369261 489231108 /nfs/dbraw/zinc/23/11/08/489231108.db2.gz FWGIZFKANQKLGX-INIZCTEOSA-N 2 2 373.505 0.477 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(c4cccnn4)CC3)C2)CC1 ZINC000369369261 489231110 /nfs/dbraw/zinc/23/11/10/489231110.db2.gz FWGIZFKANQKLGX-INIZCTEOSA-N 2 2 373.505 0.477 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2CCOCC2)[C@@H]1c1ccccc1 ZINC000283680661 489290918 /nfs/dbraw/zinc/29/09/18/489290918.db2.gz WEQXSEIOQOPLJA-ROUUACIJSA-N 2 2 374.485 0.387 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2CCOCC2)[C@@H]1c1ccccc1 ZINC000283680661 489290921 /nfs/dbraw/zinc/29/09/21/489290921.db2.gz WEQXSEIOQOPLJA-ROUUACIJSA-N 2 2 374.485 0.387 10 0 FCAELP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)CC[N@@H+]1C ZINC000284081557 489301261 /nfs/dbraw/zinc/30/12/61/489301261.db2.gz SOHVGZLZYSUACT-GDBMZVCRSA-N 2 2 357.458 0.934 10 0 FCAELP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)CC[N@H+]1C ZINC000284081557 489301264 /nfs/dbraw/zinc/30/12/64/489301264.db2.gz SOHVGZLZYSUACT-GDBMZVCRSA-N 2 2 357.458 0.934 10 0 FCAELP COCC[C@H](CO)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000370009746 489303410 /nfs/dbraw/zinc/30/34/10/489303410.db2.gz QZJDRZXMQQTHSH-MRXNPFEDSA-N 2 2 356.511 0.633 10 0 FCAELP COC[C@H](C)C[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000555428065 491250945 /nfs/dbraw/zinc/25/09/45/491250945.db2.gz DLWZAIJHABNMQE-HZPDHXFCSA-N 2 2 363.506 0.705 10 0 FCAELP COC(=O)C1CC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000362308370 489382842 /nfs/dbraw/zinc/38/28/42/489382842.db2.gz CVQAYMPGSXBKFW-INIZCTEOSA-N 2 2 355.479 0.344 10 0 FCAELP COC(=O)C1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000362308370 489382843 /nfs/dbraw/zinc/38/28/43/489382843.db2.gz CVQAYMPGSXBKFW-INIZCTEOSA-N 2 2 355.479 0.344 10 0 FCAELP O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000555540844 491253624 /nfs/dbraw/zinc/25/36/24/491253624.db2.gz AZSXGOWWQCFBDE-MOPGFXCFSA-N 2 2 361.486 0.708 10 0 FCAELP O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000555540844 491253625 /nfs/dbraw/zinc/25/36/25/491253625.db2.gz AZSXGOWWQCFBDE-MOPGFXCFSA-N 2 2 361.486 0.708 10 0 FCAELP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000563612250 491258395 /nfs/dbraw/zinc/25/83/95/491258395.db2.gz MRZWQKRCWRWSLE-UHFFFAOYSA-N 2 2 356.470 0.468 10 0 FCAELP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000563612250 491258397 /nfs/dbraw/zinc/25/83/97/491258397.db2.gz MRZWQKRCWRWSLE-UHFFFAOYSA-N 2 2 356.470 0.468 10 0 FCAELP C[NH2+]C1CCN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000423302007 489513566 /nfs/dbraw/zinc/51/35/66/489513566.db2.gz UZCKVLGVCWQFNR-INIZCTEOSA-N 2 2 358.486 0.930 10 0 FCAELP C[NH2+]C1CCN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000423302007 489513567 /nfs/dbraw/zinc/51/35/67/489513567.db2.gz UZCKVLGVCWQFNR-INIZCTEOSA-N 2 2 358.486 0.930 10 0 FCAELP COCC[N@@H+]1CC[C@H](NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000371837989 489516382 /nfs/dbraw/zinc/51/63/82/489516382.db2.gz BKYMZRTZVVHIGB-IRXDYDNUSA-N 2 2 354.495 0.603 10 0 FCAELP COCC[N@H+]1CC[C@H](NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000371837989 489516383 /nfs/dbraw/zinc/51/63/83/489516383.db2.gz BKYMZRTZVVHIGB-IRXDYDNUSA-N 2 2 354.495 0.603 10 0 FCAELP CC[NH2+]CCCNC(=O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000563659731 491261516 /nfs/dbraw/zinc/26/15/16/491261516.db2.gz CVULPSNZLMQAJK-UHFFFAOYSA-N 3 2 367.538 0.169 10 0 FCAELP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3C[N@@H+]4CCN3CCC4)c[nH+]2)C[C@H](C)O1 ZINC000372356685 489575051 /nfs/dbraw/zinc/57/50/51/489575051.db2.gz MJFQHTLIQSFOAJ-SOLBZPMBSA-N 2 2 373.501 0.701 10 0 FCAELP C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1=O ZINC000372584449 489604148 /nfs/dbraw/zinc/60/41/48/489604148.db2.gz NYPCIZCJETUAHL-YCPHGPKFSA-N 2 2 351.495 0.321 10 0 FCAELP C[C@H]1C[N@H+](CCO)CCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000457102759 489635685 /nfs/dbraw/zinc/63/56/85/489635685.db2.gz BUCIZNOVSYJLPF-SFHVURJKSA-N 2 2 360.502 0.329 10 0 FCAELP C[C@H]1C[N@@H+](CCO)CCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000457102759 489635686 /nfs/dbraw/zinc/63/56/86/489635686.db2.gz BUCIZNOVSYJLPF-SFHVURJKSA-N 2 2 360.502 0.329 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417023287 489639206 /nfs/dbraw/zinc/63/92/06/489639206.db2.gz WABNXMXPYMMKGF-CYBMUJFWSA-N 2 2 374.411 0.783 10 0 FCAELP C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000417304509 489647437 /nfs/dbraw/zinc/64/74/37/489647437.db2.gz ZFUAMXPLGUOPTD-CABCVRRESA-N 2 2 350.463 0.933 10 0 FCAELP CC[NH+]1CCN(c2ccc(CNC(=O)NCCc3cn(C)c[nH+]3)cn2)CC1 ZINC000457658806 489653405 /nfs/dbraw/zinc/65/34/05/489653405.db2.gz DYWIVRRIGKDQMH-UHFFFAOYSA-N 2 2 371.489 0.999 10 0 FCAELP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCC[NH+]1CCc2sccc2C1 ZINC000457928300 489663465 /nfs/dbraw/zinc/66/34/65/489663465.db2.gz FXDSSXGWLJYVKJ-CQSZACIVSA-N 2 2 352.504 0.814 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCC[NH+]1CCc2sccc2C1 ZINC000457928300 489663469 /nfs/dbraw/zinc/66/34/69/489663469.db2.gz FXDSSXGWLJYVKJ-CQSZACIVSA-N 2 2 352.504 0.814 10 0 FCAELP C[C@@H]1C[NH+](CCO)CCN1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000457928300 489663472 /nfs/dbraw/zinc/66/34/72/489663472.db2.gz FXDSSXGWLJYVKJ-CQSZACIVSA-N 2 2 352.504 0.814 10 0 FCAELP C[C@@H]1C[NH+](CCO)CCN1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000457928300 489663476 /nfs/dbraw/zinc/66/34/76/489663476.db2.gz FXDSSXGWLJYVKJ-CQSZACIVSA-N 2 2 352.504 0.814 10 0 FCAELP [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)C1 ZINC000418813968 489735433 /nfs/dbraw/zinc/73/54/33/489735433.db2.gz ZEACREQCDGEVLD-OLZOCXBDSA-N 2 2 366.412 0.605 10 0 FCAELP [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)C1 ZINC000418813968 489735438 /nfs/dbraw/zinc/73/54/38/489735438.db2.gz ZEACREQCDGEVLD-OLZOCXBDSA-N 2 2 366.412 0.605 10 0 FCAELP C[C@@H](CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)N1CC[NH+](C)CC1 ZINC000489976535 489738600 /nfs/dbraw/zinc/73/86/00/489738600.db2.gz HLZDKOSLNFPPLU-INIZCTEOSA-N 2 2 360.506 0.199 10 0 FCAELP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000418825743 489741228 /nfs/dbraw/zinc/74/12/28/489741228.db2.gz UXHQCLSROOREOU-YOEHRIQHSA-N 2 2 370.457 0.512 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC([NH3+])CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000418900657 489781827 /nfs/dbraw/zinc/78/18/27/489781827.db2.gz DHAFJLRCDZMBIK-HZPDHXFCSA-N 2 2 366.412 0.776 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC([NH3+])CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000418900657 489781830 /nfs/dbraw/zinc/78/18/30/489781830.db2.gz DHAFJLRCDZMBIK-HZPDHXFCSA-N 2 2 366.412 0.776 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC([NH3+])CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418900559 489782536 /nfs/dbraw/zinc/78/25/36/489782536.db2.gz DHAFJLRCDZMBIK-CVEARBPZSA-N 2 2 366.412 0.776 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC([NH3+])CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418900559 489782543 /nfs/dbraw/zinc/78/25/43/489782543.db2.gz DHAFJLRCDZMBIK-CVEARBPZSA-N 2 2 366.412 0.776 10 0 FCAELP CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418903193 489783113 /nfs/dbraw/zinc/78/31/13/489783113.db2.gz HPPXZZRFAJOLOD-HOTGVXAUSA-N 2 2 368.428 0.942 10 0 FCAELP CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418903193 489783118 /nfs/dbraw/zinc/78/31/18/489783118.db2.gz HPPXZZRFAJOLOD-HOTGVXAUSA-N 2 2 368.428 0.942 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)[C@H]1c1ccc(F)c(F)c1 ZINC000418903642 489783140 /nfs/dbraw/zinc/78/31/40/489783140.db2.gz IHQFFRZMPFQHAK-UHOFOFEASA-N 2 2 366.412 0.694 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)[C@H]1c1ccc(F)c(F)c1 ZINC000418903642 489783145 /nfs/dbraw/zinc/78/31/45/489783145.db2.gz IHQFFRZMPFQHAK-UHOFOFEASA-N 2 2 366.412 0.694 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000418905830 489784020 /nfs/dbraw/zinc/78/40/20/489784020.db2.gz KFGGCZSFCHMMPS-OWCLPIDISA-N 2 2 366.412 0.680 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000418905830 489784025 /nfs/dbraw/zinc/78/40/25/489784025.db2.gz KFGGCZSFCHMMPS-OWCLPIDISA-N 2 2 366.412 0.680 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@H]1c1ccc(Cl)cc1 ZINC000418906108 489784159 /nfs/dbraw/zinc/78/41/59/489784159.db2.gz KOBZIUYNXRMWNM-QLFBSQMISA-N 2 2 350.850 0.761 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@H]1c1ccc(Cl)cc1 ZINC000418906108 489784162 /nfs/dbraw/zinc/78/41/62/489784162.db2.gz KOBZIUYNXRMWNM-QLFBSQMISA-N 2 2 350.850 0.761 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418906522 489785589 /nfs/dbraw/zinc/78/55/89/489785589.db2.gz LANMRBHPVSFKJS-UONOGXRCSA-N 2 2 356.829 0.806 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418906522 489785594 /nfs/dbraw/zinc/78/55/94/489785594.db2.gz LANMRBHPVSFKJS-UONOGXRCSA-N 2 2 356.829 0.806 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H](C)[NH2+]1 ZINC000418909455 489786486 /nfs/dbraw/zinc/78/64/86/489786486.db2.gz JAFGYGJSZBWFTG-HZPDHXFCSA-N 2 2 374.485 0.344 10 0 FCAELP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000459929357 489797785 /nfs/dbraw/zinc/79/77/85/489797785.db2.gz FKCCAUHGNXTWIZ-QGZVFWFLSA-N 2 2 366.506 0.252 10 0 FCAELP O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000418950090 489801299 /nfs/dbraw/zinc/80/12/99/489801299.db2.gz VOTXZCSQHDZXAH-CQSZACIVSA-N 2 2 350.488 0.481 10 0 FCAELP O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000418950090 489801304 /nfs/dbraw/zinc/80/13/04/489801304.db2.gz VOTXZCSQHDZXAH-CQSZACIVSA-N 2 2 350.488 0.481 10 0 FCAELP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)C[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000475019390 489802194 /nfs/dbraw/zinc/80/21/94/489802194.db2.gz UEZYIMXTYXPSCV-RDJZCZTQSA-N 2 2 367.515 0.772 10 0 FCAELP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000475019390 489802196 /nfs/dbraw/zinc/80/21/96/489802196.db2.gz UEZYIMXTYXPSCV-RDJZCZTQSA-N 2 2 367.515 0.772 10 0 FCAELP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O)c1ccccc1 ZINC000475138230 489807211 /nfs/dbraw/zinc/80/72/11/489807211.db2.gz UTQLYZIMQLNESX-CVEARBPZSA-N 2 2 368.503 0.158 10 0 FCAELP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H]1CS(N)(=O)=O)c1ccccc1 ZINC000475138230 489807214 /nfs/dbraw/zinc/80/72/14/489807214.db2.gz UTQLYZIMQLNESX-CVEARBPZSA-N 2 2 368.503 0.158 10 0 FCAELP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000419069115 489843403 /nfs/dbraw/zinc/84/34/03/489843403.db2.gz FVPSJKQCHWKQAB-UHOFOFEASA-N 2 2 373.432 0.879 10 0 FCAELP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000419071053 489845230 /nfs/dbraw/zinc/84/52/30/489845230.db2.gz IFZLWLOROMILNT-WQVCFCJDSA-N 2 2 373.432 0.879 10 0 FCAELP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000419124834 489868208 /nfs/dbraw/zinc/86/82/08/489868208.db2.gz YDWOIOSKGJWSMF-HOCLYGCPSA-N 2 2 359.474 0.802 10 0 FCAELP CCOCc1nc([C@H](C)NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)no1 ZINC000460543502 489872260 /nfs/dbraw/zinc/87/22/60/489872260.db2.gz MZLSAUSLUXFZEU-ZDUSSCGKSA-N 2 2 368.482 0.992 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCN(C(C)(C)C(=O)OC)CC2)CC1 ZINC000494428789 489891294 /nfs/dbraw/zinc/89/12/94/489891294.db2.gz IROXIRZWCJPUSB-OAHLLOKOSA-N 2 2 354.495 0.108 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420068325 489902064 /nfs/dbraw/zinc/90/20/64/489902064.db2.gz TUWSIVNWORPLLB-HOTGVXAUSA-N 2 2 359.474 0.672 10 0 FCAELP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000420108784 489915048 /nfs/dbraw/zinc/91/50/48/489915048.db2.gz YRLDPELVDOLXDE-OAHLLOKOSA-N 2 2 354.495 0.333 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000420128513 489923219 /nfs/dbraw/zinc/92/32/19/489923219.db2.gz PIOFDHLMPTVUMF-CABCVRRESA-N 2 2 362.474 0.502 10 0 FCAELP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000477653220 489981622 /nfs/dbraw/zinc/98/16/22/489981622.db2.gz OSYAUOGOYVZBJB-HZPDHXFCSA-N 2 2 368.522 0.450 10 0 FCAELP CNC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000420980568 490038663 /nfs/dbraw/zinc/03/86/63/490038663.db2.gz UZNYFPRAMNMTES-HNNXBMFYSA-N 2 2 350.488 0.460 10 0 FCAELP CNC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000420980568 490038668 /nfs/dbraw/zinc/03/86/68/490038668.db2.gz UZNYFPRAMNMTES-HNNXBMFYSA-N 2 2 350.488 0.460 10 0 FCAELP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000441946226 490058034 /nfs/dbraw/zinc/05/80/34/490058034.db2.gz BHWRLFCDDJRRNC-UHFFFAOYSA-N 2 2 367.413 1.375 10 0 FCAELP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)c2ccccc2CC[NH3+])CC1 ZINC000519830938 490094975 /nfs/dbraw/zinc/09/49/75/490094975.db2.gz YJZNWHXBIVJNNB-MRXNPFEDSA-N 2 2 358.486 0.957 10 0 FCAELP O[C@@H](C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)CN1CCOCC1 ZINC000390850269 490138851 /nfs/dbraw/zinc/13/88/51/490138851.db2.gz JAVPWQVUKAIBCX-PMACEKPBSA-N 2 2 363.502 0.560 10 0 FCAELP O[C@@H](C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)CN1CCOCC1 ZINC000390850269 490138858 /nfs/dbraw/zinc/13/88/58/490138858.db2.gz JAVPWQVUKAIBCX-PMACEKPBSA-N 2 2 363.502 0.560 10 0 FCAELP O[C@@H](CNC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C[NH+]1CCOCC1 ZINC000390850269 490138865 /nfs/dbraw/zinc/13/88/65/490138865.db2.gz JAVPWQVUKAIBCX-PMACEKPBSA-N 2 2 363.502 0.560 10 0 FCAELP O[C@@H](CNC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C[NH+]1CCOCC1 ZINC000390850269 490138878 /nfs/dbraw/zinc/13/88/78/490138878.db2.gz JAVPWQVUKAIBCX-PMACEKPBSA-N 2 2 363.502 0.560 10 0 FCAELP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000565353152 491371263 /nfs/dbraw/zinc/37/12/63/491371263.db2.gz FDTWUKYZHNOKMP-UXLLHSPISA-N 2 2 354.520 0.730 10 0 FCAELP COCC[NH2+]C1CC[NH+](Cc2c(C)nn(C)c2N2CCOCC2)CC1 ZINC000571408376 491306116 /nfs/dbraw/zinc/30/61/16/491306116.db2.gz POEUTFCYBFDZEZ-UHFFFAOYSA-N 2 2 351.495 0.766 10 0 FCAELP C[C@@H](CC[NH+](C)C)NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000497688326 490194739 /nfs/dbraw/zinc/19/47/39/490194739.db2.gz NPGGTGFKFNHPCZ-HNNXBMFYSA-N 2 2 353.511 0.570 10 0 FCAELP CCCCn1nnnc1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000533377785 490223869 /nfs/dbraw/zinc/22/38/69/490223869.db2.gz PLCUZCURPIQCJQ-UHFFFAOYSA-N 2 2 363.510 0.849 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCCc1cn(C)c[nH+]1)[N@H+](C)Cc1ccccc1 ZINC000422317554 490253088 /nfs/dbraw/zinc/25/30/88/490253088.db2.gz OHEVZBBOIKMECD-HNNXBMFYSA-N 2 2 357.458 0.716 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCCc1cn(C)c[nH+]1)[N@@H+](C)Cc1ccccc1 ZINC000422317554 490253096 /nfs/dbraw/zinc/25/30/96/490253096.db2.gz OHEVZBBOIKMECD-HNNXBMFYSA-N 2 2 357.458 0.716 10 0 FCAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000422347246 490272042 /nfs/dbraw/zinc/27/20/42/490272042.db2.gz DCAHEGNSYZTIDY-CRAIPNDOSA-N 2 2 369.469 0.716 10 0 FCAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000422347246 490272049 /nfs/dbraw/zinc/27/20/49/490272049.db2.gz DCAHEGNSYZTIDY-CRAIPNDOSA-N 2 2 369.469 0.716 10 0 FCAELP O=C(NCc1ccc2c[nH+]cn2c1)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000422469471 490338488 /nfs/dbraw/zinc/33/84/88/490338488.db2.gz DCUBTBPZMSUYEK-KRWDZBQOSA-N 2 2 371.441 0.274 10 0 FCAELP CC1(C)C[N@H+](CCNC(=O)C(=O)NCc2ccc3c[nH+]cn3c2)CCO1 ZINC000422470144 490339114 /nfs/dbraw/zinc/33/91/14/490339114.db2.gz FPIHRUFFJSKIDY-UHFFFAOYSA-N 2 2 359.430 0.178 10 0 FCAELP CC1(C)C[N@@H+](CCNC(=O)C(=O)NCc2ccc3c[nH+]cn3c2)CCO1 ZINC000422470144 490339119 /nfs/dbraw/zinc/33/91/19/490339119.db2.gz FPIHRUFFJSKIDY-UHFFFAOYSA-N 2 2 359.430 0.178 10 0 FCAELP c1cnc(N2CC[NH+](CCCC[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)CC2)nc1 ZINC000422718492 490464808 /nfs/dbraw/zinc/46/48/08/490464808.db2.gz PUJKXQYLSZQGCN-RTBURBONSA-N 3 2 374.533 0.735 10 0 FCAELP O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422831754 490483393 /nfs/dbraw/zinc/48/33/93/490483393.db2.gz UDCYOIXXCMQOIQ-JKSUJKDBSA-N 2 2 364.490 0.988 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCO[C@@H](C3CCC3)C2)C1 ZINC000411863011 490487719 /nfs/dbraw/zinc/48/77/19/490487719.db2.gz PZIXJBDQPCRUQW-QZTJIDSGSA-N 2 2 353.507 0.960 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCO[C@@H](C3CCC3)C2)C1 ZINC000411863011 490487724 /nfs/dbraw/zinc/48/77/24/490487724.db2.gz PZIXJBDQPCRUQW-QZTJIDSGSA-N 2 2 353.507 0.960 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCO[C@@H](C3CCC3)C2)C1 ZINC000411863011 490487730 /nfs/dbraw/zinc/48/77/30/490487730.db2.gz PZIXJBDQPCRUQW-QZTJIDSGSA-N 2 2 353.507 0.960 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCO[C@@H](C3CCC3)C2)C1 ZINC000411863011 490487738 /nfs/dbraw/zinc/48/77/38/490487738.db2.gz PZIXJBDQPCRUQW-QZTJIDSGSA-N 2 2 353.507 0.960 10 0 FCAELP CCOC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CC12COC2 ZINC000451138888 490519928 /nfs/dbraw/zinc/51/99/28/490519928.db2.gz REHNCJOMMHMLTN-GJZGRUSLSA-N 2 2 353.463 0.051 10 0 FCAELP CCOC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CC12COC2 ZINC000451138888 490519930 /nfs/dbraw/zinc/51/99/30/490519930.db2.gz REHNCJOMMHMLTN-GJZGRUSLSA-N 2 2 353.463 0.051 10 0 FCAELP CN(CC[NH3+])C(=O)C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000423029796 490524992 /nfs/dbraw/zinc/52/49/92/490524992.db2.gz VPNYQFJGRXGZDR-UHFFFAOYSA-N 2 2 368.865 0.280 10 0 FCAELP c1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)c(C[NH+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000548940373 490555321 /nfs/dbraw/zinc/55/53/21/490555321.db2.gz DYBFQJIOWWWFMF-FGYAAKKASA-N 2 2 360.454 0.886 10 0 FCAELP c1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)c(C[NH+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000548940373 490555324 /nfs/dbraw/zinc/55/53/24/490555324.db2.gz DYBFQJIOWWWFMF-FGYAAKKASA-N 2 2 360.454 0.886 10 0 FCAELP CN(C)c1[nH+]cc(CNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)n1C ZINC000511198262 490569319 /nfs/dbraw/zinc/56/93/19/490569319.db2.gz MFSAQYDRRFIENB-UHFFFAOYSA-N 2 2 370.501 0.920 10 0 FCAELP CC[NH+]1CCN(CC(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000525691701 490621087 /nfs/dbraw/zinc/62/10/87/490621087.db2.gz RZOPHTIQROHQSB-HXUWFJFHSA-N 2 2 373.545 0.729 10 0 FCAELP CN(CCCN1CC[NH+](C)CC1)C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000502042447 490670899 /nfs/dbraw/zinc/67/08/99/490670899.db2.gz SWTWEJXMNYYEOU-UHFFFAOYSA-N 2 2 374.533 0.543 10 0 FCAELP CN(CCC[NH+]1CCN(C)CC1)C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000502042447 490670903 /nfs/dbraw/zinc/67/09/03/490670903.db2.gz SWTWEJXMNYYEOU-UHFFFAOYSA-N 2 2 374.533 0.543 10 0 FCAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000526102860 490675353 /nfs/dbraw/zinc/67/53/53/490675353.db2.gz LXCWGTHRPQZNND-UHFFFAOYSA-N 2 2 363.462 0.575 10 0 FCAELP COC(=O)c1cc2c(cc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])OCO2 ZINC000557013368 491349264 /nfs/dbraw/zinc/34/92/64/491349264.db2.gz DUXYXBRCNDVZAA-SNVBAGLBSA-N 2 2 350.375 0.309 10 0 FCAELP COC(=O)c1cc2c(cc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])OCO2 ZINC000557013368 491349266 /nfs/dbraw/zinc/34/92/66/491349266.db2.gz DUXYXBRCNDVZAA-SNVBAGLBSA-N 2 2 350.375 0.309 10 0 FCAELP COc1c[nH+]ccc1N1CCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000527522785 490732973 /nfs/dbraw/zinc/73/29/73/490732973.db2.gz YETRVUCBOUEBHA-OAHLLOKOSA-N 2 2 363.462 0.643 10 0 FCAELP COc1c[nH+]ccc1N1CCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000527522785 490732975 /nfs/dbraw/zinc/73/29/75/490732975.db2.gz YETRVUCBOUEBHA-OAHLLOKOSA-N 2 2 363.462 0.643 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000515330630 490819087 /nfs/dbraw/zinc/81/90/87/490819087.db2.gz BATBRCMPEASJFL-WBVHZDCISA-N 2 2 371.485 0.638 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000515330630 490819088 /nfs/dbraw/zinc/81/90/88/490819088.db2.gz BATBRCMPEASJFL-WBVHZDCISA-N 2 2 371.485 0.638 10 0 FCAELP CC1([NH+]2CCOCC2)CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000528729354 490823931 /nfs/dbraw/zinc/82/39/31/490823931.db2.gz RQYGMTONDKMEDL-MRXNPFEDSA-N 2 2 359.536 0.845 10 0 FCAELP CSCCCCNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000505771937 490838981 /nfs/dbraw/zinc/83/89/81/490838981.db2.gz FXSKBOHBIUOGMB-UHFFFAOYSA-N 2 2 358.552 0.730 10 0 FCAELP CSCCCCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000505771937 490838984 /nfs/dbraw/zinc/83/89/84/490838984.db2.gz FXSKBOHBIUOGMB-UHFFFAOYSA-N 2 2 358.552 0.730 10 0 FCAELP Cc1cc(C)c(CNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)c[nH+]1 ZINC000529330173 490853397 /nfs/dbraw/zinc/85/33/97/490853397.db2.gz JPSPPGYYFCYOQC-UHFFFAOYSA-N 2 2 360.462 0.551 10 0 FCAELP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530228313 490894291 /nfs/dbraw/zinc/89/42/91/490894291.db2.gz OWMQOHRVSVMWQS-INIZCTEOSA-N 2 2 351.495 0.276 10 0 FCAELP C[C@H]1CN(C(=O)C2([NH+]3CCOCC3)CCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000543014045 490919220 /nfs/dbraw/zinc/91/92/20/490919220.db2.gz LLQITJBFQDJAIA-ROUUACIJSA-N 2 2 364.534 0.726 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)NCC2=CC[N@H+](C)CC2)C1=O ZINC000543047674 490919703 /nfs/dbraw/zinc/91/97/03/490919703.db2.gz VPBLSQIJSVCWQZ-HNNXBMFYSA-N 2 2 360.462 0.472 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)NCC2=CC[N@@H+](C)CC2)C1=O ZINC000543047674 490919705 /nfs/dbraw/zinc/91/97/05/490919705.db2.gz VPBLSQIJSVCWQZ-HNNXBMFYSA-N 2 2 360.462 0.472 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000543043796 490919940 /nfs/dbraw/zinc/91/99/40/490919940.db2.gz LNWXFXMJTAJFHP-GOEBONIOSA-N 2 2 374.489 0.695 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1=O ZINC000543043796 490919942 /nfs/dbraw/zinc/91/99/42/490919942.db2.gz LNWXFXMJTAJFHP-GOEBONIOSA-N 2 2 374.489 0.695 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](Nc2cc(-n3cccn3)nc(N)[nH+]2)C1=O ZINC000543050921 490920267 /nfs/dbraw/zinc/92/02/67/490920267.db2.gz WEBYVZXQYKDQHH-LBPRGKRZSA-N 2 2 367.417 0.581 10 0 FCAELP O=C(N[C@H](CO)C[NH+]1CCOCC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000517925253 490924890 /nfs/dbraw/zinc/92/48/90/490924890.db2.gz FXBHEYJSCVGEOE-HOTGVXAUSA-N 2 2 357.520 0.013 10 0 FCAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000543967897 490953304 /nfs/dbraw/zinc/95/33/04/490953304.db2.gz ZKBRSNLWENCNNS-BMFZPTHFSA-N 2 2 374.489 0.693 10 0 FCAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000543967897 490953305 /nfs/dbraw/zinc/95/33/05/490953305.db2.gz ZKBRSNLWENCNNS-BMFZPTHFSA-N 2 2 374.489 0.693 10 0 FCAELP C[NH+]1CCC(CNC(=O)N2CCOC3(C[NH2+]C3)C2)([NH+]2CCCCC2)CC1 ZINC000519359714 490969682 /nfs/dbraw/zinc/96/96/82/490969682.db2.gz CMVXACBHHNNJDI-UHFFFAOYSA-N 3 2 365.522 0.321 10 0 FCAELP COC(=O)CCN1CC[C@@H]([NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC000595309785 491916508 /nfs/dbraw/zinc/91/65/08/491916508.db2.gz BFFPKNNDUPAHTJ-IAGOWNOFSA-N 2 2 366.506 0.252 10 0 FCAELP COC(=O)CCN1CC[C@@H]([NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C1=O ZINC000595309785 491916509 /nfs/dbraw/zinc/91/65/09/491916509.db2.gz BFFPKNNDUPAHTJ-IAGOWNOFSA-N 2 2 366.506 0.252 10 0 FCAELP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C[C@H](C)O1 ZINC000562458246 491167228 /nfs/dbraw/zinc/16/72/28/491167228.db2.gz QOWREIBNGPSDTN-OKILXGFUSA-N 2 2 359.430 0.840 10 0 FCAELP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C[C@H](C)O1 ZINC000562458246 491167230 /nfs/dbraw/zinc/16/72/30/491167230.db2.gz QOWREIBNGPSDTN-OKILXGFUSA-N 2 2 359.430 0.840 10 0 FCAELP O=C(CN1C[C@H]2CCC[C@@H](C1)[NH2+]2)NCc1ccccc1C[NH+]1CCOCC1 ZINC000569581022 491170190 /nfs/dbraw/zinc/17/01/90/491170190.db2.gz FHAUZZJKPICAAM-BGYRXZFFSA-N 2 2 372.513 0.961 10 0 FCAELP O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000569599109 491173392 /nfs/dbraw/zinc/17/33/92/491173392.db2.gz LQUYRRCFCBBBSO-CVEARBPZSA-N 2 2 362.478 0.357 10 0 FCAELP COC(=O)c1cccc2c1CC[N@@H+]([C@H]1CC(=O)N(CC[NH+](C)C)C1=O)C2 ZINC000562733984 491185510 /nfs/dbraw/zinc/18/55/10/491185510.db2.gz SLHSVMXHLOVFLV-INIZCTEOSA-N 2 2 359.426 0.520 10 0 FCAELP COC(=O)c1cccc2c1CC[N@H+]([C@H]1CC(=O)N(CC[NH+](C)C)C1=O)C2 ZINC000562733984 491185513 /nfs/dbraw/zinc/18/55/13/491185513.db2.gz SLHSVMXHLOVFLV-INIZCTEOSA-N 2 2 359.426 0.520 10 0 FCAELP CC[NH+]1CCN(c2ccccc2NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000562746685 491186429 /nfs/dbraw/zinc/18/64/29/491186429.db2.gz CFSQYWNFRNELNK-INIZCTEOSA-N 3 2 360.506 0.935 10 0 FCAELP CC[NH+]1CCN(c2ccccc2NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000562746685 491186432 /nfs/dbraw/zinc/18/64/32/491186432.db2.gz CFSQYWNFRNELNK-INIZCTEOSA-N 3 2 360.506 0.935 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000572649075 491384716 /nfs/dbraw/zinc/38/47/16/491384716.db2.gz ZUPLMSXVEBMRSB-IEBWSBKVSA-N 3 2 352.523 0.535 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000572649075 491384717 /nfs/dbraw/zinc/38/47/17/491384717.db2.gz ZUPLMSXVEBMRSB-IEBWSBKVSA-N 3 2 352.523 0.535 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000572649075 491384719 /nfs/dbraw/zinc/38/47/19/491384719.db2.gz ZUPLMSXVEBMRSB-IEBWSBKVSA-N 3 2 352.523 0.535 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000572649075 491384721 /nfs/dbraw/zinc/38/47/21/491384721.db2.gz ZUPLMSXVEBMRSB-IEBWSBKVSA-N 3 2 352.523 0.535 10 0 FCAELP O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000565592536 491387323 /nfs/dbraw/zinc/38/73/23/491387323.db2.gz IFAWYZGRRMPSMV-SZMVWBNQSA-N 2 2 365.499 0.806 10 0 FCAELP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)COC2CCC([NH3+])CC2)CC1 ZINC000572875470 491399549 /nfs/dbraw/zinc/39/95/49/491399549.db2.gz JFJZDRHLLIIBPP-GTPINHCMSA-N 2 2 366.506 0.428 10 0 FCAELP O=C(N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CCOC2(C[NH2+]C2)C1 ZINC000573465316 491434929 /nfs/dbraw/zinc/43/49/29/491434929.db2.gz VJAGEEJMKFWPPA-SFHVURJKSA-N 2 2 374.485 0.314 10 0 FCAELP C[C@H](NC(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000573491522 491436785 /nfs/dbraw/zinc/43/67/85/491436785.db2.gz YXUYZRXIDLZDCE-RLFYNMQTSA-N 2 2 374.485 0.297 10 0 FCAELP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000573807391 491456067 /nfs/dbraw/zinc/45/60/67/491456067.db2.gz UOTASEDEWIJBNF-QGZVFWFLSA-N 2 2 366.506 0.252 10 0 FCAELP COc1ccccc1N1CCC(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000566667881 491459214 /nfs/dbraw/zinc/45/92/14/491459214.db2.gz RBNKTOPKNWLXMG-INIZCTEOSA-N 2 2 361.490 0.948 10 0 FCAELP COc1ccccc1N1CCC(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000566667881 491459215 /nfs/dbraw/zinc/45/92/15/491459215.db2.gz RBNKTOPKNWLXMG-INIZCTEOSA-N 2 2 361.490 0.948 10 0 FCAELP C[NH+]1CCC(CNC(=O)C(=O)NCc2cc[nH]n2)([NH+]2CCCCC2)CC1 ZINC000559286873 491460892 /nfs/dbraw/zinc/46/08/92/491460892.db2.gz FLNQMIGCKPSFEF-UHFFFAOYSA-N 2 2 362.478 0.092 10 0 FCAELP C[N@@H+]1CCN(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)[C@H](C[NH3+])C1 ZINC000566786210 491466485 /nfs/dbraw/zinc/46/64/85/491466485.db2.gz VFKHHFZJCCOAHQ-GOSISDBHSA-N 2 2 369.469 0.681 10 0 FCAELP C[N@H+]1CCN(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)[C@H](C[NH3+])C1 ZINC000566786210 491466488 /nfs/dbraw/zinc/46/64/88/491466488.db2.gz VFKHHFZJCCOAHQ-GOSISDBHSA-N 2 2 369.469 0.681 10 0 FCAELP O=C(N[C@@H](CO)C[NH+]1CCOCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000574102498 491474416 /nfs/dbraw/zinc/47/44/16/491474416.db2.gz FJEKUFWCZMQZEY-LJQANCHMSA-N 2 2 361.486 0.708 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000559769679 491497975 /nfs/dbraw/zinc/49/79/75/491497975.db2.gz OIRVZCAEGDVLFV-UHFFFAOYSA-N 2 2 361.490 0.954 10 0 FCAELP C[NH+]1CCC(CNC(=O)[C@H]2CCc3nncn3C2)([NH+]2CCCCC2)CC1 ZINC000560020650 491515710 /nfs/dbraw/zinc/51/57/10/491515710.db2.gz PCHNVDZIULOOJR-INIZCTEOSA-N 2 2 360.506 0.907 10 0 FCAELP CN1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)[C@H](C[NH3+])C1 ZINC000575108805 491539556 /nfs/dbraw/zinc/53/95/56/491539556.db2.gz JEDGUIYULZINME-XYPHTWIQSA-N 2 2 367.444 0.994 10 0 FCAELP CN1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)[C@H](C[NH3+])C1 ZINC000575108805 491539558 /nfs/dbraw/zinc/53/95/58/491539558.db2.gz JEDGUIYULZINME-XYPHTWIQSA-N 2 2 367.444 0.994 10 0 FCAELP CCOC(=O)CC[C@@H](O)C[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000575798235 491561418 /nfs/dbraw/zinc/56/14/18/491561418.db2.gz YUFURDOHKULADG-KGLIPLIRSA-N 2 2 352.435 0.205 10 0 FCAELP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000673615045 493351190 /nfs/dbraw/zinc/35/11/90/493351190.db2.gz OIOBTYKULWGOAO-BZUAXINKSA-N 2 2 359.474 0.962 10 0 FCAELP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000673615045 493351192 /nfs/dbraw/zinc/35/11/92/493351192.db2.gz OIOBTYKULWGOAO-BZUAXINKSA-N 2 2 359.474 0.962 10 0 FCAELP C[NH+]1CCN(c2cccc(C(=O)N3CC[NH+](CC(C)(C)O)CC3)n2)CC1 ZINC000576094909 491580673 /nfs/dbraw/zinc/58/06/73/491580673.db2.gz DREXPFBPWAEPNQ-UHFFFAOYSA-N 2 2 361.490 0.362 10 0 FCAELP C[C@H]1COCC[NH+]1CCNc1cncc(NCC[N@H+]2CCOC[C@@H]2C)n1 ZINC000561177394 491580719 /nfs/dbraw/zinc/58/07/19/491580719.db2.gz VVKKHBZWJVSYCX-HOTGVXAUSA-N 2 2 364.494 0.742 10 0 FCAELP C[C@H]1COCC[NH+]1CCNc1cncc(NCC[N@@H+]2CCOC[C@@H]2C)n1 ZINC000561177394 491580722 /nfs/dbraw/zinc/58/07/22/491580722.db2.gz VVKKHBZWJVSYCX-HOTGVXAUSA-N 2 2 364.494 0.742 10 0 FCAELP CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)[NH+]1CCOCC1 ZINC000576135211 491584757 /nfs/dbraw/zinc/58/47/57/491584757.db2.gz UNEUCUANJDULQP-VQIMIIECSA-N 2 2 366.506 0.062 10 0 FCAELP CCOC1CC(CNC(=O)N[C@H]2CCC[N@H+](C)C2)([NH+]2CCOCC2)C1 ZINC000683478365 493354361 /nfs/dbraw/zinc/35/43/61/493354361.db2.gz KGVQDHNBPRWIJG-HJOIGYKYSA-N 2 2 354.495 0.650 10 0 FCAELP CCOC1CC(CNC(=O)N[C@H]2CCC[N@@H+](C)C2)([NH+]2CCOCC2)C1 ZINC000683478365 493354363 /nfs/dbraw/zinc/35/43/63/493354363.db2.gz KGVQDHNBPRWIJG-HJOIGYKYSA-N 2 2 354.495 0.650 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC(=O)N1Cc1ccccc1 ZINC000576492646 491619245 /nfs/dbraw/zinc/61/92/45/491619245.db2.gz QYISUCZTUVXCQH-OIISXLGYSA-N 2 2 359.474 0.460 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC(=O)N1Cc1ccccc1 ZINC000576492646 491619247 /nfs/dbraw/zinc/61/92/47/491619247.db2.gz QYISUCZTUVXCQH-OIISXLGYSA-N 2 2 359.474 0.460 10 0 FCAELP O=C(C(=O)N1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1)N1CCCC1 ZINC000569128228 491636217 /nfs/dbraw/zinc/63/62/17/491636217.db2.gz BYXBONTWUWTXIW-UHFFFAOYSA-N 2 2 356.470 0.599 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)NCCN2CC[NH2+]CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000577725834 491645648 /nfs/dbraw/zinc/64/56/48/491645648.db2.gz WABUIUBDJVUMBH-IAGOWNOFSA-N 2 2 367.444 0.914 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)NCCN2CC[NH2+]CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000577725834 491645652 /nfs/dbraw/zinc/64/56/52/491645652.db2.gz WABUIUBDJVUMBH-IAGOWNOFSA-N 2 2 367.444 0.914 10 0 FCAELP CC[NH2+]CCCNC(=O)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000569324154 491651865 /nfs/dbraw/zinc/65/18/65/491651865.db2.gz VPZHNQVPVAIPKV-UHFFFAOYSA-N 2 2 366.893 0.930 10 0 FCAELP CC[NH2+]CCCNC(=O)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000569324154 491651870 /nfs/dbraw/zinc/65/18/70/491651870.db2.gz VPZHNQVPVAIPKV-UHFFFAOYSA-N 2 2 366.893 0.930 10 0 FCAELP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000579475199 491698585 /nfs/dbraw/zinc/69/85/85/491698585.db2.gz UHMCWUSOOXHPSF-URLQWDBASA-N 2 2 366.506 0.189 10 0 FCAELP CC1(C(N)=O)C[NH+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000581308167 491768066 /nfs/dbraw/zinc/76/80/66/491768066.db2.gz ZKJNWMLSGDUIEZ-UHFFFAOYSA-N 2 2 372.469 0.073 10 0 FCAELP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc[nH+]c2N(C)C)[C@H](C)C1 ZINC000581898726 491789331 /nfs/dbraw/zinc/78/93/31/491789331.db2.gz IBGKCDWUWPJVSI-ZBFHGGJFSA-N 2 2 361.490 0.953 10 0 FCAELP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc[nH+]c2N(C)C)[C@H](C)C1 ZINC000581898726 491789332 /nfs/dbraw/zinc/78/93/32/491789332.db2.gz IBGKCDWUWPJVSI-ZBFHGGJFSA-N 2 2 361.490 0.953 10 0 FCAELP C[C@@H]1CC[N@H+](CC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000582913903 491832000 /nfs/dbraw/zinc/83/20/00/491832000.db2.gz XZWLFKCTJUBEGV-MRXNPFEDSA-N 2 2 359.474 0.578 10 0 FCAELP C[C@@H]1CC[N@@H+](CC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000582913903 491832002 /nfs/dbraw/zinc/83/20/02/491832002.db2.gz XZWLFKCTJUBEGV-MRXNPFEDSA-N 2 2 359.474 0.578 10 0 FCAELP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000583102562 491838143 /nfs/dbraw/zinc/83/81/43/491838143.db2.gz JKWJKDGZEKJMRK-NVXWUHKLSA-N 2 2 364.490 0.053 10 0 FCAELP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000583102562 491838144 /nfs/dbraw/zinc/83/81/44/491838144.db2.gz JKWJKDGZEKJMRK-NVXWUHKLSA-N 2 2 364.490 0.053 10 0 FCAELP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000583137105 491838883 /nfs/dbraw/zinc/83/88/83/491838883.db2.gz QOMARKQACSVOAM-GJZGRUSLSA-N 2 2 362.478 0.647 10 0 FCAELP CN(C[C@@H]1CCC[N@H+]1C)C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000583137105 491838884 /nfs/dbraw/zinc/83/88/84/491838884.db2.gz QOMARKQACSVOAM-GJZGRUSLSA-N 2 2 362.478 0.647 10 0 FCAELP Cn1cc([C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c2ccc(F)cc2)cn1 ZINC000583356735 491843195 /nfs/dbraw/zinc/84/31/95/491843195.db2.gz WKCOGNZOWLDNKK-RTBURBONSA-N 2 2 361.465 0.847 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH2+]CCO2)[C@H]1c1ccc(F)c(F)c1 ZINC000583554301 491847335 /nfs/dbraw/zinc/84/73/35/491847335.db2.gz JOMGKIGRUCQBBK-VBNZEHGJSA-N 2 2 354.401 0.998 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH2+]CCO2)[C@H]1c1ccc(F)c(F)c1 ZINC000583554301 491847336 /nfs/dbraw/zinc/84/73/36/491847336.db2.gz JOMGKIGRUCQBBK-VBNZEHGJSA-N 2 2 354.401 0.998 10 0 FCAELP COC(=O)CC[C@@H](C(=O)OC)N1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000595382558 491926374 /nfs/dbraw/zinc/92/63/74/491926374.db2.gz WITHTBIJOGGBIQ-KRWDZBQOSA-N 2 2 369.506 0.972 10 0 FCAELP CC(C)(C)OC(=O)CN1CCCC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1=O ZINC000601967514 491956004 /nfs/dbraw/zinc/95/60/04/491956004.db2.gz GPMFVZILDROJCL-CVEARBPZSA-N 2 2 369.506 0.756 10 0 FCAELP CN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000612959936 491959685 /nfs/dbraw/zinc/95/96/85/491959685.db2.gz NHFBLHUDTZXHPV-BBWFWOEESA-N 2 2 365.522 0.806 10 0 FCAELP 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ZINC000644730206 492803318 /nfs/dbraw/zinc/80/33/18/492803318.db2.gz UCZIBWMKVIHMFX-VQTJNVASSA-N 2 2 372.513 0.771 10 0 FCAELP C[N@H+]1C[C@@H]2CCN(CC(=O)NCc3ccccc3C[NH+]3CCOCC3)[C@@H]2C1 ZINC000644730206 492803324 /nfs/dbraw/zinc/80/33/24/492803324.db2.gz UCZIBWMKVIHMFX-VQTJNVASSA-N 2 2 372.513 0.771 10 0 FCAELP CC(C)C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCNC1=O ZINC000631258860 492807179 /nfs/dbraw/zinc/80/71/79/492807179.db2.gz CVYWHKSSZKFIJL-BEFAXECRSA-N 2 2 350.507 0.824 10 0 FCAELP CC(C)C[C@@]1(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCNC1=O ZINC000631258860 492807181 /nfs/dbraw/zinc/80/71/81/492807181.db2.gz CVYWHKSSZKFIJL-BEFAXECRSA-N 2 2 350.507 0.824 10 0 FCAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCC[N@H+](CC(=O)N3CCCC3)CC1)CC2 ZINC000625544714 492816296 /nfs/dbraw/zinc/81/62/96/492816296.db2.gz YSHAPRCNOSQZDX-KRWDZBQOSA-N 2 2 373.501 0.911 10 0 FCAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCC[N@@H+](CC(=O)N3CCCC3)CC1)CC2 ZINC000625544714 492816300 /nfs/dbraw/zinc/81/63/00/492816300.db2.gz YSHAPRCNOSQZDX-KRWDZBQOSA-N 2 2 373.501 0.911 10 0 FCAELP C[N@@H+]1CCO[C@H](CS(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000631655955 492830315 /nfs/dbraw/zinc/83/03/15/492830315.db2.gz BITHETODAWZGCJ-GJZGRUSLSA-N 2 2 357.476 0.667 10 0 FCAELP C[N@H+]1CCO[C@H](CS(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000631655955 492830317 /nfs/dbraw/zinc/83/03/17/492830317.db2.gz BITHETODAWZGCJ-GJZGRUSLSA-N 2 2 357.476 0.667 10 0 FCAELP CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC000658117875 492840646 /nfs/dbraw/zinc/84/06/46/492840646.db2.gz WVXGFUBAADYOHX-RLLQIKCJSA-N 2 2 369.550 0.939 10 0 FCAELP CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000658117875 492840649 /nfs/dbraw/zinc/84/06/49/492840649.db2.gz WVXGFUBAADYOHX-RLLQIKCJSA-N 2 2 369.550 0.939 10 0 FCAELP C[C@@H](CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)[NH+]1CCc2sccc2C1 ZINC000631728132 492842455 /nfs/dbraw/zinc/84/24/55/492842455.db2.gz 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Cc1cc(C)c(NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c(C)[nH+]1 ZINC000651958035 492854207 /nfs/dbraw/zinc/85/42/07/492854207.db2.gz ZOWBZWHQNBTLAS-UHFFFAOYSA-N 2 2 361.446 0.178 10 0 FCAELP COc1ccc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(C)n1 ZINC000658337553 492862052 /nfs/dbraw/zinc/86/20/52/492862052.db2.gz VBTIFVNPFVRDLV-ZDUSSCGKSA-N 2 2 365.478 0.725 10 0 FCAELP COc1ccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(C)n1 ZINC000658337553 492862054 /nfs/dbraw/zinc/86/20/54/492862054.db2.gz VBTIFVNPFVRDLV-ZDUSSCGKSA-N 2 2 365.478 0.725 10 0 FCAELP Cc1ccc(N2CCC(C(=O)N(C)CC(=O)N3CC[NH2+]CC3)CC2)[nH+]c1 ZINC000645133169 492871118 /nfs/dbraw/zinc/87/11/18/492871118.db2.gz LYMCBSHVCMSHDG-UHFFFAOYSA-N 2 2 359.474 0.497 10 0 FCAELP Cn1cc[nH+]c1[C@H](NS(=O)(=O)C[C@H]1C[NH2+]CCO1)c1cccc(F)c1 ZINC000631911083 492876705 /nfs/dbraw/zinc/87/67/05/492876705.db2.gz VNWREJBAPUQFFA-HUUCEWRRSA-N 2 2 368.434 0.556 10 0 FCAELP CCO[C@@H]1CN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C[C@H]1C[NH3+] ZINC000652137314 492884918 /nfs/dbraw/zinc/88/49/18/492884918.db2.gz GWIJMFOTSVHIDM-INMHGKMJSA-N 2 2 372.535 0.200 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000658425653 492884964 /nfs/dbraw/zinc/88/49/64/492884964.db2.gz CMRHSRWSCDWWMX-UHFFFAOYSA-N 2 2 372.473 0.811 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000658425653 492884968 /nfs/dbraw/zinc/88/49/68/492884968.db2.gz CMRHSRWSCDWWMX-UHFFFAOYSA-N 2 2 372.473 0.811 10 0 FCAELP COc1ccccc1[C@@H]1C[NH2+]CCN1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631936220 492892140 /nfs/dbraw/zinc/89/21/40/492892140.db2.gz XHSITVBSZCRSBB-INIZCTEOSA-N 2 2 368.503 0.570 10 0 FCAELP C[NH+](C)C1CC[NH+](CCNC(=O)NCC(C)(C)[C@@]2(O)CCOC2)CC1 ZINC000645393282 492901662 /nfs/dbraw/zinc/90/16/62/492901662.db2.gz LNVUTMPDITVRQZ-GOSISDBHSA-N 2 2 356.511 0.489 10 0 FCAELP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)N(CCO)CC[NH+]1CCOCC1 ZINC000625942333 492903099 /nfs/dbraw/zinc/90/30/99/492903099.db2.gz CKIAHYGCIVHSKH-UHFFFAOYSA-N 2 2 364.446 0.327 10 0 FCAELP C[C@H](C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)N1CC[NH2+]CC1=O ZINC000638099093 492904668 /nfs/dbraw/zinc/90/46/68/492904668.db2.gz FPUYCAFRRKNELP-MRXNPFEDSA-N 2 2 358.486 0.930 10 0 FCAELP C[NH2+]Cc1ccccc1CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000652288026 492906767 /nfs/dbraw/zinc/90/67/67/492906767.db2.gz QSDRYUAEUBAXJB-QGZVFWFLSA-N 2 2 350.463 0.241 10 0 FCAELP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC[C@H]2COc3ccccc3O2)C[C@H]1C[NH3+] ZINC000652357446 492914301 /nfs/dbraw/zinc/91/43/01/492914301.db2.gz PTETVMYORIANFG-JTOWHCCKSA-N 2 2 363.458 0.627 10 0 FCAELP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC[C@H]2COc3ccccc3O2)C[C@H]1C[NH3+] ZINC000652357446 492914306 /nfs/dbraw/zinc/91/43/06/492914306.db2.gz PTETVMYORIANFG-JTOWHCCKSA-N 2 2 363.458 0.627 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H](C)[C@@H]2CC[NH3+])C1 ZINC000652354833 492914342 /nfs/dbraw/zinc/91/43/42/492914342.db2.gz JMYDVOHGWWUAJB-KSZLIROESA-N 3 2 354.539 0.909 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H](C)[C@@H]2CC[NH3+])C1 ZINC000652354833 492914346 /nfs/dbraw/zinc/91/43/46/492914346.db2.gz JMYDVOHGWWUAJB-KSZLIROESA-N 3 2 354.539 0.909 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])C1 ZINC000652354833 492914350 /nfs/dbraw/zinc/91/43/50/492914350.db2.gz JMYDVOHGWWUAJB-KSZLIROESA-N 3 2 354.539 0.909 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])C1 ZINC000652354833 492914353 /nfs/dbraw/zinc/91/43/53/492914353.db2.gz JMYDVOHGWWUAJB-KSZLIROESA-N 3 2 354.539 0.909 10 0 FCAELP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC[C@H]2COc3ccccc3O2)C[C@H]1C[NH3+] ZINC000652357448 492914578 /nfs/dbraw/zinc/91/45/78/492914578.db2.gz PTETVMYORIANFG-ZXFNITATSA-N 2 2 363.458 0.627 10 0 FCAELP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)NC[C@H]2COc3ccccc3O2)C[C@H]1C[NH3+] ZINC000652357448 492914582 /nfs/dbraw/zinc/91/45/82/492914582.db2.gz PTETVMYORIANFG-ZXFNITATSA-N 2 2 363.458 0.627 10 0 FCAELP CCO[C@@H]1C[N@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C[C@H]1C[NH3+] ZINC000652356780 492914961 /nfs/dbraw/zinc/91/49/61/492914961.db2.gz HEKRMMRHQIYKOG-CRAIPNDOSA-N 2 2 364.465 0.770 10 0 FCAELP CCO[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C[C@H]1C[NH3+] ZINC000652356780 492914963 /nfs/dbraw/zinc/91/49/63/492914963.db2.gz HEKRMMRHQIYKOG-CRAIPNDOSA-N 2 2 364.465 0.770 10 0 FCAELP C[C@H]1CN(c2ccc(CNC(=O)c3cn(CCC[NH3+])nn3)c[nH+]2)C[C@H](C)O1 ZINC000645510427 492917476 /nfs/dbraw/zinc/91/74/76/492917476.db2.gz WUGVBQQDESCKMR-KBPBESRZSA-N 2 2 373.461 0.566 10 0 FCAELP C[N@@H+]1CCO[C@@H](CNC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638276324 492927568 /nfs/dbraw/zinc/92/75/68/492927568.db2.gz MYASJJXUMQNGKB-SFHVURJKSA-N 3 2 360.502 0.817 10 0 FCAELP C[N@H+]1CCO[C@@H](CNC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638276324 492927572 /nfs/dbraw/zinc/92/75/72/492927572.db2.gz MYASJJXUMQNGKB-SFHVURJKSA-N 3 2 360.502 0.817 10 0 FCAELP C[C@@H]1C[C@H](NS(=O)(=O)C[C@H]2C[NH+](C)CCO2)C[N@@H+]1Cc1ccccc1 ZINC000632096492 492927672 /nfs/dbraw/zinc/92/76/72/492927672.db2.gz ZGFBPHWJPDUMEN-BPQIPLTHSA-N 2 2 367.515 0.899 10 0 FCAELP C[C@@H]1C[C@H](NS(=O)(=O)C[C@H]2C[NH+](C)CCO2)C[N@H+]1Cc1ccccc1 ZINC000632096492 492927675 /nfs/dbraw/zinc/92/76/75/492927675.db2.gz ZGFBPHWJPDUMEN-BPQIPLTHSA-N 2 2 367.515 0.899 10 0 FCAELP C[C@@H]1C[C@H](NS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)C[NH+]1Cc1ccccc1 ZINC000632096492 492927679 /nfs/dbraw/zinc/92/76/79/492927679.db2.gz ZGFBPHWJPDUMEN-BPQIPLTHSA-N 2 2 367.515 0.899 10 0 FCAELP C[C@@H]1C[C@H](NS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)C[NH+]1Cc1ccccc1 ZINC000632096492 492927682 /nfs/dbraw/zinc/92/76/82/492927682.db2.gz ZGFBPHWJPDUMEN-BPQIPLTHSA-N 2 2 367.515 0.899 10 0 FCAELP C[C@H](C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638285840 492928544 /nfs/dbraw/zinc/92/85/44/492928544.db2.gz NIHLBLZIWCXVIG-IAGOWNOFSA-N 2 2 358.486 0.930 10 0 FCAELP C[C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638285840 492928546 /nfs/dbraw/zinc/92/85/46/492928546.db2.gz NIHLBLZIWCXVIG-IAGOWNOFSA-N 2 2 358.486 0.930 10 0 FCAELP CN(C(=O)CCc1nn[nH]n1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000632100457 492929473 /nfs/dbraw/zinc/92/94/73/492929473.db2.gz DJOPZMRBIFMKCI-HZPDHXFCSA-N 2 2 363.510 0.928 10 0 FCAELP CN(C(=O)CCc1nn[nH]n1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000632100457 492929475 /nfs/dbraw/zinc/92/94/75/492929475.db2.gz DJOPZMRBIFMKCI-HZPDHXFCSA-N 2 2 363.510 0.928 10 0 FCAELP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000652474214 492944944 /nfs/dbraw/zinc/94/49/44/492944944.db2.gz XBFSVLXOWSZZBA-UHFFFAOYSA-N 2 2 370.538 0.650 10 0 FCAELP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000652474214 492944947 /nfs/dbraw/zinc/94/49/47/492944947.db2.gz XBFSVLXOWSZZBA-UHFFFAOYSA-N 2 2 370.538 0.650 10 0 FCAELP CC(C)C[NH+](C)CCCNC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000652474214 492944949 /nfs/dbraw/zinc/94/49/49/492944949.db2.gz XBFSVLXOWSZZBA-UHFFFAOYSA-N 2 2 370.538 0.650 10 0 FCAELP CC(C)C[NH+](C)CCCNC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000652474214 492944951 /nfs/dbraw/zinc/94/49/51/492944951.db2.gz XBFSVLXOWSZZBA-UHFFFAOYSA-N 2 2 370.538 0.650 10 0 FCAELP CCN1C(=O)CO[C@H](C(=O)NCC2=CC[N@H+](C)CC2)[C@H]1c1[nH+]ccn1C ZINC000626367693 492967995 /nfs/dbraw/zinc/96/79/95/492967995.db2.gz IGKKLFZVMWQIPL-HOTGVXAUSA-N 2 2 361.446 0.087 10 0 FCAELP CCN1C(=O)CO[C@H](C(=O)NCC2=CC[N@@H+](C)CC2)[C@H]1c1[nH+]ccn1C ZINC000626367693 492968000 /nfs/dbraw/zinc/96/80/00/492968000.db2.gz IGKKLFZVMWQIPL-HOTGVXAUSA-N 2 2 361.446 0.087 10 0 FCAELP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000658583421 492968263 /nfs/dbraw/zinc/96/82/63/492968263.db2.gz YEJSXGVJVCXGGJ-CVEARBPZSA-N 2 2 366.506 0.299 10 0 FCAELP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000658583421 492968264 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TXGCCZQQBPMISC-NXHRZFHOSA-N 2 2 367.515 0.899 10 0 FCAELP C[C@@H]1[C@@H](NS(=O)(=O)C[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000632340174 492977872 /nfs/dbraw/zinc/97/78/72/492977872.db2.gz TXGCCZQQBPMISC-NXHRZFHOSA-N 2 2 367.515 0.899 10 0 FCAELP C[C@@H]1[C@@H](NS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000632340174 492977876 /nfs/dbraw/zinc/97/78/76/492977876.db2.gz TXGCCZQQBPMISC-NXHRZFHOSA-N 2 2 367.515 0.899 10 0 FCAELP C[C@@H]1[C@@H](NS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000632340174 492977878 /nfs/dbraw/zinc/97/78/78/492977878.db2.gz TXGCCZQQBPMISC-NXHRZFHOSA-N 2 2 367.515 0.899 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cn([C@@H]4CCC[NH2+]C4)nn3)C2)CC1 ZINC000645977763 492994950 /nfs/dbraw/zinc/99/49/50/492994950.db2.gz LIRCUWODYQETTJ-GDBMZVCRSA-N 3 2 361.494 0.101 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cn([C@@H]4CCC[NH2+]C4)nn3)C2)CC1 ZINC000645977763 492994954 /nfs/dbraw/zinc/99/49/54/492994954.db2.gz LIRCUWODYQETTJ-GDBMZVCRSA-N 3 2 361.494 0.101 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)C(=O)NCc2ccccc2C[NH2+]C)CC1 ZINC000652719269 493001658 /nfs/dbraw/zinc/00/16/58/493001658.db2.gz XPNZLCYJRUFQFK-UHFFFAOYSA-N 2 2 362.474 0.203 10 0 FCAELP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C[C@H]1C[NH3+] ZINC000652730632 493008270 /nfs/dbraw/zinc/00/82/70/493008270.db2.gz JUCUSWYDJKTOIG-XUWVNRHRSA-N 2 2 363.462 0.115 10 0 FCAELP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NCC2([NH3+])CCOCC2)c1 ZINC000626859423 493039636 /nfs/dbraw/zinc/03/96/36/493039636.db2.gz VGMPMUQFGBEZKH-UHFFFAOYSA-N 2 2 357.414 0.650 10 0 FCAELP C[NH+]1CCN([C@H](C(=O)N2CC(C[NH+]3CCOCC3)C2)c2ccccc2)CC1 ZINC000646357035 493043927 /nfs/dbraw/zinc/04/39/27/493043927.db2.gz LZGHXWRIZQQBAD-FQEVSTJZSA-N 2 2 372.513 0.766 10 0 FCAELP CCC1([NH+]2CCCC2)CCN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CC1 ZINC000632640485 493055563 /nfs/dbraw/zinc/05/55/63/493055563.db2.gz QPTLGZRHJWYYAM-MRXNPFEDSA-N 2 2 359.536 0.987 10 0 FCAELP CCC1([NH+]2CCCC2)CCN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000632640485 493055568 /nfs/dbraw/zinc/05/55/68/493055568.db2.gz QPTLGZRHJWYYAM-MRXNPFEDSA-N 2 2 359.536 0.987 10 0 FCAELP CCC1([NH+]2CCCC2)CCN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000632640484 493055620 /nfs/dbraw/zinc/05/56/20/493055620.db2.gz QPTLGZRHJWYYAM-INIZCTEOSA-N 2 2 359.536 0.987 10 0 FCAELP CCC1([NH+]2CCCC2)CCN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000632640484 493055623 /nfs/dbraw/zinc/05/56/23/493055623.db2.gz QPTLGZRHJWYYAM-INIZCTEOSA-N 2 2 359.536 0.987 10 0 FCAELP [NH3+]C1(CNC(=O)NCc2ccccc2C[NH+]2CCOCC2)CCOCC1 ZINC000626923994 493064073 /nfs/dbraw/zinc/06/40/73/493064073.db2.gz CFJAERSXQUTDDJ-UHFFFAOYSA-N 2 2 362.474 0.826 10 0 FCAELP O=C(NCCCCn1cc[nH+]c1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000626944806 493069507 /nfs/dbraw/zinc/06/95/07/493069507.db2.gz BKSCTNABBMVWBQ-UHFFFAOYSA-N 2 2 363.466 0.016 10 0 FCAELP CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653097907 493069685 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FCAELP C[NH2+]CCOCCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000627117003 493089813 /nfs/dbraw/zinc/08/98/13/493089813.db2.gz CLQBCHITXVRGCR-GOSISDBHSA-N 2 2 363.506 0.338 10 0 FCAELP [NH3+]C1(CNC(=O)N(CC[NH+]2CCOCC2)Cc2ccco2)CCOCC1 ZINC000627148275 493096321 /nfs/dbraw/zinc/09/63/21/493096321.db2.gz UTPLIXGRYRKTTL-UHFFFAOYSA-N 2 2 366.462 0.631 10 0 FCAELP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000653353613 493097296 /nfs/dbraw/zinc/09/72/96/493097296.db2.gz FXQARTSPHOMIKG-UHFFFAOYSA-N 2 2 356.511 0.308 10 0 FCAELP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000653353613 493097299 /nfs/dbraw/zinc/09/72/99/493097299.db2.gz FXQARTSPHOMIKG-UHFFFAOYSA-N 2 2 356.511 0.308 10 0 FCAELP Cc1cc(N)cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000632996311 493101148 /nfs/dbraw/zinc/10/11/48/493101148.db2.gz ZCGYBLKQAVVZHM-OAHLLOKOSA-N 2 2 359.474 0.800 10 0 FCAELP Cc1cc(N)cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000632996311 493101152 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C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000627297558 493140507 /nfs/dbraw/zinc/14/05/07/493140507.db2.gz MPLHAOLNOMBEDA-YVFQKMDQSA-N 2 2 366.412 0.693 10 0 FCAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000627297558 493140508 /nfs/dbraw/zinc/14/05/08/493140508.db2.gz MPLHAOLNOMBEDA-YVFQKMDQSA-N 2 2 366.412 0.693 10 0 FCAELP Nc1ccc(NC(=O)C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c[nH+]1 ZINC000659093707 493149056 /nfs/dbraw/zinc/14/90/56/493149056.db2.gz ACHUNVUVTGGWCF-MRXNPFEDSA-N 2 2 369.425 0.485 10 0 FCAELP Nc1ccc(NC(=O)C(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c[nH+]1 ZINC000659093707 493149061 /nfs/dbraw/zinc/14/90/61/493149061.db2.gz ACHUNVUVTGGWCF-MRXNPFEDSA-N 2 2 369.425 0.485 10 0 FCAELP O=C(NCC12CC(C1)C[NH2+]2)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000659452779 493182351 /nfs/dbraw/zinc/18/23/51/493182351.db2.gz DPWHNHKNDUMKPV-QPIRBTGLSA-N 2 2 358.486 0.981 10 0 FCAELP O=C(NCc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627378123 493188495 /nfs/dbraw/zinc/18/84/95/493188495.db2.gz CIPIRWKIFLXYLB-SNVBAGLBSA-N 2 2 359.352 0.462 10 0 FCAELP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)n1 ZINC000659631191 493225277 /nfs/dbraw/zinc/22/52/77/493225277.db2.gz BDLHYCBYPIDMPL-CQSZACIVSA-N 2 2 364.450 0.037 10 0 FCAELP [NH3+][C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[C@H]1F ZINC000659673132 493243551 /nfs/dbraw/zinc/24/35/51/493243551.db2.gz HEWMEOSEJQJPBS-HUUCEWRRSA-N 2 2 370.469 0.035 10 0 FCAELP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)NCC12CC(C1)C[NH2+]2)c1ccc(F)cc1 ZINC000659683349 493249670 /nfs/dbraw/zinc/24/96/70/493249670.db2.gz RWSOYXYABYASON-IHBYNMNLSA-N 2 2 371.416 0.633 10 0 FCAELP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000659693362 493257057 /nfs/dbraw/zinc/25/70/57/493257057.db2.gz ZUQFHOTWODKZIG-MELADBBJSA-N 2 2 363.462 0.036 10 0 FCAELP CC1(C)CN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1CCO ZINC000682008912 493261909 /nfs/dbraw/zinc/26/19/09/493261909.db2.gz PTSIVQOTJFXWKT-UHFFFAOYSA-N 2 2 374.529 0.719 10 0 FCAELP CC1(C)CN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1CCO ZINC000682008912 493261911 /nfs/dbraw/zinc/26/19/11/493261911.db2.gz PTSIVQOTJFXWKT-UHFFFAOYSA-N 2 2 374.529 0.719 10 0 FCAELP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000659706031 493264458 /nfs/dbraw/zinc/26/44/58/493264458.db2.gz CYJWLZCSPWFXQD-GFCCVEGCSA-N 2 2 352.866 0.538 10 0 FCAELP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000659706031 493264461 /nfs/dbraw/zinc/26/44/61/493264461.db2.gz CYJWLZCSPWFXQD-GFCCVEGCSA-N 2 2 352.866 0.538 10 0 FCAELP CCc1cc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)no1 ZINC000682144429 493272364 /nfs/dbraw/zinc/27/23/64/493272364.db2.gz POXPKJDLTXEVPQ-UHFFFAOYSA-N 2 2 351.451 0.660 10 0 FCAELP CCc1cc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)no1 ZINC000682144429 493272366 /nfs/dbraw/zinc/27/23/66/493272366.db2.gz POXPKJDLTXEVPQ-UHFFFAOYSA-N 2 2 351.451 0.660 10 0 FCAELP [NH3+]C1(CNC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CCCC1 ZINC000659733469 493277950 /nfs/dbraw/zinc/27/79/50/493277950.db2.gz FLJORAJAUATNRH-OAHLLOKOSA-N 2 2 352.479 0.087 10 0 FCAELP O=C(C[NH+]1CCN(Cc2ccnn2-c2cc[nH+]cc2)CC1)N1CCOCC1 ZINC000667484953 493286650 /nfs/dbraw/zinc/28/66/50/493286650.db2.gz BEKLFQPXINMZCR-UHFFFAOYSA-N 2 2 370.457 0.244 10 0 FCAELP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[NH+](CC(=O)N3CCOCC3)CC2)C1 ZINC000659816703 493292059 /nfs/dbraw/zinc/29/20/59/493292059.db2.gz CFWAEIXDGDOCSH-HDICACEKSA-N 2 2 352.523 0.441 10 0 FCAELP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[NH+](CC(=O)N3CCOCC3)CC2)C1 ZINC000659816703 493292062 /nfs/dbraw/zinc/29/20/62/493292062.db2.gz CFWAEIXDGDOCSH-HDICACEKSA-N 2 2 352.523 0.441 10 0 FCAELP CN(C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000673300985 493314775 /nfs/dbraw/zinc/31/47/75/493314775.db2.gz RXBNNGGYZSQRIN-GDBMZVCRSA-N 2 2 357.458 0.472 10 0 FCAELP CN(C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000673300985 493314777 /nfs/dbraw/zinc/31/47/77/493314777.db2.gz RXBNNGGYZSQRIN-GDBMZVCRSA-N 2 2 357.458 0.472 10 0 FCAELP O=C(C[N@@H+]1CC[C@H](Cn2ccnn2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000661148945 493412980 /nfs/dbraw/zinc/41/29/80/493412980.db2.gz SDMAIVMXHSROFY-IBGZPJMESA-N 2 2 368.485 0.944 10 0 FCAELP O=C(C[N@H+]1CC[C@H](Cn2ccnn2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000661148945 493412981 /nfs/dbraw/zinc/41/29/81/493412981.db2.gz SDMAIVMXHSROFY-IBGZPJMESA-N 2 2 368.485 0.944 10 0 FCAELP COC[C@@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CCOCC1 ZINC000661159339 493414279 /nfs/dbraw/zinc/41/42/79/493414279.db2.gz TTYRJYKOLOJEJG-MRXNPFEDSA-N 2 2 357.495 0.245 10 0 FCAELP CCN1C(=O)[C@@H]2C[N@H+](C[C@@H](O)C[NH+](C)Cc3ccccc3)CCN2C1=O ZINC000674470591 493419311 /nfs/dbraw/zinc/41/93/11/493419311.db2.gz ZPZKRJZPJGQPAZ-IRXDYDNUSA-N 2 2 360.458 0.448 10 0 FCAELP CCN1C(=O)[C@@H]2C[N@@H+](C[C@@H](O)C[NH+](C)Cc3ccccc3)CCN2C1=O ZINC000674470591 493419313 /nfs/dbraw/zinc/41/93/13/493419313.db2.gz ZPZKRJZPJGQPAZ-IRXDYDNUSA-N 2 2 360.458 0.448 10 0 FCAELP CCN1C(=O)[C@@H]2C[NH+](C[C@@H](O)C[N@H+](C)Cc3ccccc3)CCN2C1=O ZINC000674470591 493419315 /nfs/dbraw/zinc/41/93/15/493419315.db2.gz ZPZKRJZPJGQPAZ-IRXDYDNUSA-N 2 2 360.458 0.448 10 0 FCAELP CCN1C(=O)[C@@H]2C[NH+](C[C@@H](O)C[N@@H+](C)Cc3ccccc3)CCN2C1=O ZINC000674470591 493419316 /nfs/dbraw/zinc/41/93/16/493419316.db2.gz ZPZKRJZPJGQPAZ-IRXDYDNUSA-N 2 2 360.458 0.448 10 0 FCAELP C[C@H](CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000661360877 493430097 /nfs/dbraw/zinc/43/00/97/493430097.db2.gz ILSISYSTYSDTSC-WCXIOVBPSA-N 2 2 354.495 0.600 10 0 FCAELP C[C@H](CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000661360877 493430100 /nfs/dbraw/zinc/43/01/00/493430100.db2.gz ILSISYSTYSDTSC-WCXIOVBPSA-N 2 2 354.495 0.600 10 0 FCAELP CO[C@]1(CO)CCC[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000661390579 493432702 /nfs/dbraw/zinc/43/27/02/493432702.db2.gz WSXFWBREDGXQPC-QFBILLFUSA-N 2 2 362.474 0.592 10 0 FCAELP CO[C@]1(CO)CCC[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000661390579 493432706 /nfs/dbraw/zinc/43/27/06/493432706.db2.gz WSXFWBREDGXQPC-QFBILLFUSA-N 2 2 362.474 0.592 10 0 FCAELP CO[C@@]1(CO)CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000661395748 493433372 /nfs/dbraw/zinc/43/33/72/493433372.db2.gz NYOAPZKFYRHQTD-FQEVSTJZSA-N 2 2 361.486 0.804 10 0 FCAELP CO[C@@]1(CO)CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000661395748 493433375 /nfs/dbraw/zinc/43/33/75/493433375.db2.gz NYOAPZKFYRHQTD-FQEVSTJZSA-N 2 2 361.486 0.804 10 0 FCAELP CO[C@]1(CO)CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000661395750 493433608 /nfs/dbraw/zinc/43/36/08/493433608.db2.gz NYOAPZKFYRHQTD-HXUWFJFHSA-N 2 2 361.486 0.804 10 0 FCAELP CO[C@]1(CO)CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000661395750 493433611 /nfs/dbraw/zinc/43/36/11/493433611.db2.gz NYOAPZKFYRHQTD-HXUWFJFHSA-N 2 2 361.486 0.804 10 0 FCAELP CCN(C(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1)[C@@H]1CC[N@H+](C)C1 ZINC000668959381 493444085 /nfs/dbraw/zinc/44/40/85/493444085.db2.gz KSBOUDGWKBOJIP-MRXNPFEDSA-N 2 2 357.458 0.854 10 0 FCAELP CCN(C(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1)[C@@H]1CC[N@@H+](C)C1 ZINC000668959381 493444088 /nfs/dbraw/zinc/44/40/88/493444088.db2.gz KSBOUDGWKBOJIP-MRXNPFEDSA-N 2 2 357.458 0.854 10 0 FCAELP C[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CCN1S(C)(=O)=O ZINC000661680036 493457407 /nfs/dbraw/zinc/45/74/07/493457407.db2.gz LMGKHOYVBKWDFQ-MRXNPFEDSA-N 2 2 367.515 0.985 10 0 FCAELP C[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CCN1S(C)(=O)=O ZINC000661680036 493457409 /nfs/dbraw/zinc/45/74/09/493457409.db2.gz LMGKHOYVBKWDFQ-MRXNPFEDSA-N 2 2 367.515 0.985 10 0 FCAELP CC(C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000662111020 493489364 /nfs/dbraw/zinc/48/93/64/493489364.db2.gz LCTXOZLCHBUFCF-MRXNPFEDSA-N 2 2 368.522 0.450 10 0 FCAELP CC(C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000662111020 493489365 /nfs/dbraw/zinc/48/93/65/493489365.db2.gz LCTXOZLCHBUFCF-MRXNPFEDSA-N 2 2 368.522 0.450 10 0 FCAELP CC(C)NC(=O)[C@H]1CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000662116797 493490348 /nfs/dbraw/zinc/49/03/48/493490348.db2.gz LCTXOZLCHBUFCF-INIZCTEOSA-N 2 2 368.522 0.450 10 0 FCAELP CC(C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000662116797 493490352 /nfs/dbraw/zinc/49/03/52/493490352.db2.gz LCTXOZLCHBUFCF-INIZCTEOSA-N 2 2 368.522 0.450 10 0 FCAELP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCO1 ZINC000669502154 493508272 /nfs/dbraw/zinc/50/82/72/493508272.db2.gz IIJFIRAWCTUWJK-IAGOWNOFSA-N 3 2 367.538 0.694 10 0 FCAELP C[N@@H+]1CCN(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)[C@@H](C[NH3+])C1 ZINC000669526059 493509127 /nfs/dbraw/zinc/50/91/27/493509127.db2.gz UBSKCSFWSZISDJ-OLZOCXBDSA-N 2 2 353.417 0.828 10 0 FCAELP C[N@H+]1CCN(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)[C@@H](C[NH3+])C1 ZINC000669526059 493509130 /nfs/dbraw/zinc/50/91/30/493509130.db2.gz UBSKCSFWSZISDJ-OLZOCXBDSA-N 2 2 353.417 0.828 10 0 FCAELP C[N@@H+]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)[C@H](C[NH3+])C1 ZINC000669569647 493511373 /nfs/dbraw/zinc/51/13/73/493511373.db2.gz DPJGQIRBDQPQNO-CVEARBPZSA-N 2 2 363.437 0.211 10 0 FCAELP Cn1c(C(F)(F)F)nc2cncc(C(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])c21 ZINC000662427709 493514798 /nfs/dbraw/zinc/51/47/98/493514798.db2.gz AZDLOKOKXSFYHF-SECBINFHSA-N 2 2 356.352 0.702 10 0 FCAELP Cn1c(C(F)(F)F)nc2cncc(C(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])c21 ZINC000662427709 493514800 /nfs/dbraw/zinc/51/48/00/493514800.db2.gz AZDLOKOKXSFYHF-SECBINFHSA-N 2 2 356.352 0.702 10 0 FCAELP [NH3+]CC12CC(C1)CN2C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000662680206 493531329 /nfs/dbraw/zinc/53/13/29/493531329.db2.gz HRYOUGZXLKYTGB-UHFFFAOYSA-N 2 2 357.458 0.460 10 0 FCAELP CC[NH+](CC)CCN(C(=O)[C@@H]([NH3+])COC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000662785835 493542037 /nfs/dbraw/zinc/54/20/37/493542037.db2.gz MJRKRRHQBOGROV-GJZGRUSLSA-N 2 2 363.524 0.096 10 0 FCAELP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1cc[nH+]cc1N(C)C ZINC000670078086 493544371 /nfs/dbraw/zinc/54/43/71/493544371.db2.gz XEBORCXZJKAACI-HNNXBMFYSA-N 2 2 362.478 0.634 10 0 FCAELP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Nc1cc[nH+]cc1N(C)C ZINC000670078086 493544374 /nfs/dbraw/zinc/54/43/74/493544374.db2.gz XEBORCXZJKAACI-HNNXBMFYSA-N 2 2 362.478 0.634 10 0 FCAELP O=C1C[C@H]([NH2+][C@@H]2CCN(c3ccccc3)C2)CN1CC[NH+]1CCOCC1 ZINC000676418304 493550743 /nfs/dbraw/zinc/55/07/43/493550743.db2.gz LYXCZHTUGSCDMP-MSOLQXFVSA-N 2 2 358.486 0.788 10 0 FCAELP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c1C ZINC000662929871 493555507 /nfs/dbraw/zinc/55/55/07/493555507.db2.gz KHJNCCKONKCBND-CHWSQXEVSA-N 2 2 352.410 0.563 10 0 FCAELP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)C1 ZINC000662944839 493558717 /nfs/dbraw/zinc/55/87/17/493558717.db2.gz VBBFCQBRVBBSRT-IRXDYDNUSA-N 2 2 373.501 0.974 10 0 FCAELP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662956524 493560404 /nfs/dbraw/zinc/56/04/04/493560404.db2.gz PRQQCGDCAQJSJE-OAHLLOKOSA-N 2 2 357.414 0.550 10 0 FCAELP C[NH+](C)CCOc1ccccc1C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000670385394 493560714 /nfs/dbraw/zinc/56/07/14/493560714.db2.gz ZIFXHDHVVUSQRD-HNNXBMFYSA-N 2 2 351.447 0.050 10 0 FCAELP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662960991 493561644 /nfs/dbraw/zinc/56/16/44/493561644.db2.gz QBXDVYZFBDJVHU-FUHWJXTLSA-N 2 2 372.469 0.004 10 0 FCAELP O=C(NCCn1cc[nH+]c1)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000663237714 493579497 /nfs/dbraw/zinc/57/94/97/493579497.db2.gz NMMOYDSVOVUSQC-IBGZPJMESA-N 2 2 373.457 0.446 10 0 FCAELP O=C(NCCn1cc[nH+]c1)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000663237714 493579499 /nfs/dbraw/zinc/57/94/99/493579499.db2.gz NMMOYDSVOVUSQC-IBGZPJMESA-N 2 2 373.457 0.446 10 0 FCAELP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cn1 ZINC000677082392 493584562 /nfs/dbraw/zinc/58/45/62/493584562.db2.gz AJXGJBFXZOPHRF-AWEZNQCLSA-N 2 2 371.445 0.173 10 0 FCAELP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000670772924 493595179 /nfs/dbraw/zinc/59/51/79/493595179.db2.gz BDZDNOIOTHMUDF-QLFBSQMISA-N 2 2 354.495 0.201 10 0 FCAELP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000670772924 493595181 /nfs/dbraw/zinc/59/51/81/493595181.db2.gz BDZDNOIOTHMUDF-QLFBSQMISA-N 2 2 354.495 0.201 10 0 FCAELP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)C[C@H](C)O1 ZINC000670772924 493595183 /nfs/dbraw/zinc/59/51/83/493595183.db2.gz BDZDNOIOTHMUDF-QLFBSQMISA-N 2 2 354.495 0.201 10 0 FCAELP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000670772924 493595185 /nfs/dbraw/zinc/59/51/85/493595185.db2.gz BDZDNOIOTHMUDF-QLFBSQMISA-N 2 2 354.495 0.201 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000663558169 493598013 /nfs/dbraw/zinc/59/80/13/493598013.db2.gz KMKZUTBGMQBMKA-KRWDZBQOSA-N 3 2 370.586 0.584 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000663558169 493598016 /nfs/dbraw/zinc/59/80/16/493598016.db2.gz KMKZUTBGMQBMKA-KRWDZBQOSA-N 3 2 370.586 0.584 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000663558169 493598019 /nfs/dbraw/zinc/59/80/19/493598019.db2.gz KMKZUTBGMQBMKA-KRWDZBQOSA-N 3 2 370.586 0.584 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000663558169 493598022 /nfs/dbraw/zinc/59/80/22/493598022.db2.gz KMKZUTBGMQBMKA-KRWDZBQOSA-N 3 2 370.586 0.584 10 0 FCAELP Cc1cccn2c(=O)c(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)cnc12 ZINC000678620997 493652533 /nfs/dbraw/zinc/65/25/33/493652533.db2.gz LGJAVGSXSBHBOV-OAHLLOKOSA-N 2 2 369.469 0.901 10 0 FCAELP Cc1cccn2c(=O)c(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)cnc12 ZINC000678620997 493652536 /nfs/dbraw/zinc/65/25/36/493652536.db2.gz LGJAVGSXSBHBOV-OAHLLOKOSA-N 2 2 369.469 0.901 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000664352389 493654937 /nfs/dbraw/zinc/65/49/37/493654937.db2.gz UOSRUYKMXLEIOJ-AWEZNQCLSA-N 3 2 353.515 0.557 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000664352389 493654940 /nfs/dbraw/zinc/65/49/40/493654940.db2.gz UOSRUYKMXLEIOJ-AWEZNQCLSA-N 3 2 353.515 0.557 10 0 FCAELP CC(C)Nc1nc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)nc(NCCO)[nH+]1 ZINC000664597419 493670215 /nfs/dbraw/zinc/67/02/15/493670215.db2.gz NYATXXGMBXDLKG-CQSZACIVSA-N 2 2 365.482 0.132 10 0 FCAELP CC(C)Nc1nc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)nc(NCCO)[nH+]1 ZINC000664597419 493670216 /nfs/dbraw/zinc/67/02/16/493670216.db2.gz NYATXXGMBXDLKG-CQSZACIVSA-N 2 2 365.482 0.132 10 0 FCAELP CC(C)Nc1nc(NCCO)[nH+]c(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)n1 ZINC000664597419 493670217 /nfs/dbraw/zinc/67/02/17/493670217.db2.gz NYATXXGMBXDLKG-CQSZACIVSA-N 2 2 365.482 0.132 10 0 FCAELP CC(C)Nc1nc(NCCO)[nH+]c(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)n1 ZINC000664597419 493670218 /nfs/dbraw/zinc/67/02/18/493670218.db2.gz NYATXXGMBXDLKG-CQSZACIVSA-N 2 2 365.482 0.132 10 0 FCAELP CC(C)Nc1nc(NCCO)nc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)[nH+]1 ZINC000664597419 493670219 /nfs/dbraw/zinc/67/02/19/493670219.db2.gz NYATXXGMBXDLKG-CQSZACIVSA-N 2 2 365.482 0.132 10 0 FCAELP CC(C)Nc1nc(NCCO)nc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)[nH+]1 ZINC000664597419 493670220 /nfs/dbraw/zinc/67/02/20/493670220.db2.gz NYATXXGMBXDLKG-CQSZACIVSA-N 2 2 365.482 0.132 10 0 FCAELP C[NH+]1CCN(c2cc(C(=O)N3CC[NH+](C(C)(C)CO)CC3)ccn2)CC1 ZINC000679318167 493675538 /nfs/dbraw/zinc/67/55/38/493675538.db2.gz PMQREFIRODQEJW-UHFFFAOYSA-N 2 2 361.490 0.362 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000664815865 493684656 /nfs/dbraw/zinc/68/46/56/493684656.db2.gz WFEMOZRMZVMEPD-UHFFFAOYSA-N 3 2 356.559 0.195 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000664815865 493684658 /nfs/dbraw/zinc/68/46/58/493684658.db2.gz WFEMOZRMZVMEPD-UHFFFAOYSA-N 3 2 356.559 0.195 10 0 FCAELP C[NH+](C)CCC[NH+](C)CCNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000664815865 493684659 /nfs/dbraw/zinc/68/46/59/493684659.db2.gz WFEMOZRMZVMEPD-UHFFFAOYSA-N 3 2 356.559 0.195 10 0 FCAELP C[NH+](C)CCC[NH+](C)CCNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000664815865 493684662 /nfs/dbraw/zinc/68/46/62/493684662.db2.gz WFEMOZRMZVMEPD-UHFFFAOYSA-N 3 2 356.559 0.195 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1=O ZINC000679952067 493703015 /nfs/dbraw/zinc/70/30/15/493703015.db2.gz FRXVAIZITGKLAP-JYJNAYRXSA-N 2 2 374.489 0.837 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1=O ZINC000679952067 493703017 /nfs/dbraw/zinc/70/30/17/493703017.db2.gz FRXVAIZITGKLAP-JYJNAYRXSA-N 2 2 374.489 0.837 10 0 FCAELP C[C@@H](CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000665254396 493706776 /nfs/dbraw/zinc/70/67/76/493706776.db2.gz PLAQIEBLMXGPHT-ZOFXXKQRSA-N 2 2 356.511 0.893 10 0 FCAELP C[C@@H](CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000665254396 493706779 /nfs/dbraw/zinc/70/67/79/493706779.db2.gz PLAQIEBLMXGPHT-ZOFXXKQRSA-N 2 2 356.511 0.893 10 0 FCAELP C[C@@H](CNC(=O)NCC[NH+]1C[C@@H](C)OC[C@@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000665254396 493706782 /nfs/dbraw/zinc/70/67/82/493706782.db2.gz PLAQIEBLMXGPHT-ZOFXXKQRSA-N 2 2 356.511 0.893 10 0 FCAELP C[C@@H](CNC(=O)NCC[NH+]1C[C@@H](C)OC[C@@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000665254396 493706784 /nfs/dbraw/zinc/70/67/84/493706784.db2.gz PLAQIEBLMXGPHT-ZOFXXKQRSA-N 2 2 356.511 0.893 10 0 FCAELP C[C@H](CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000665254393 493707050 /nfs/dbraw/zinc/70/70/50/493707050.db2.gz PLAQIEBLMXGPHT-HHARLNAUSA-N 2 2 356.511 0.893 10 0 FCAELP C[C@H](CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000665254393 493707051 /nfs/dbraw/zinc/70/70/51/493707051.db2.gz PLAQIEBLMXGPHT-HHARLNAUSA-N 2 2 356.511 0.893 10 0 FCAELP C[C@H](CNC(=O)NCC[NH+]1C[C@@H](C)OC[C@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000665254393 493707052 /nfs/dbraw/zinc/70/70/52/493707052.db2.gz PLAQIEBLMXGPHT-HHARLNAUSA-N 2 2 356.511 0.893 10 0 FCAELP C[C@H](CNC(=O)NCC[NH+]1C[C@@H](C)OC[C@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000665254393 493707054 /nfs/dbraw/zinc/70/70/54/493707054.db2.gz PLAQIEBLMXGPHT-HHARLNAUSA-N 2 2 356.511 0.893 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1)[NH+]1CCc2ccccc2C1 ZINC000671933542 493715873 /nfs/dbraw/zinc/71/58/73/493715873.db2.gz AKJWFOZPECKXMY-MAUKXSAKSA-N 2 2 358.486 0.760 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCc2ccccc2C1 ZINC000671933542 493715875 /nfs/dbraw/zinc/71/58/75/493715875.db2.gz AKJWFOZPECKXMY-MAUKXSAKSA-N 2 2 358.486 0.760 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH+](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000671933542 493715877 /nfs/dbraw/zinc/71/58/77/493715877.db2.gz AKJWFOZPECKXMY-MAUKXSAKSA-N 2 2 358.486 0.760 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH+](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000671933542 493715878 /nfs/dbraw/zinc/71/58/78/493715878.db2.gz AKJWFOZPECKXMY-MAUKXSAKSA-N 2 2 358.486 0.760 10 0 FCAELP CN(C(=O)C(=O)NCc1cscn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671955023 493717629 /nfs/dbraw/zinc/71/76/29/493717629.db2.gz AABWKAXYDIVJFY-OAHLLOKOSA-N 2 2 365.503 0.386 10 0 FCAELP CN(C(=O)C(=O)NCc1cscn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671955023 493717631 /nfs/dbraw/zinc/71/76/31/493717631.db2.gz AABWKAXYDIVJFY-OAHLLOKOSA-N 2 2 365.503 0.386 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1cscn1 ZINC000671957412 493718015 /nfs/dbraw/zinc/71/80/15/493718015.db2.gz GMBKGXUNWZRIAF-UHFFFAOYSA-N 2 2 353.492 0.244 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1cscn1 ZINC000671957412 493718017 /nfs/dbraw/zinc/71/80/17/493718017.db2.gz GMBKGXUNWZRIAF-UHFFFAOYSA-N 2 2 353.492 0.244 10 0 FCAELP Cc1cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1-n1cnnn1 ZINC000665497073 493718947 /nfs/dbraw/zinc/71/89/47/493718947.db2.gz YFBDGGWNUOCBQP-UHFFFAOYSA-N 2 2 360.466 0.976 10 0 FCAELP Cc1cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1-n1cnnn1 ZINC000665497073 493718949 /nfs/dbraw/zinc/71/89/49/493718949.db2.gz YFBDGGWNUOCBQP-UHFFFAOYSA-N 2 2 360.466 0.976 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC[NH+]1C[C@H](C)OC[C@H]1C ZINC000665763476 493735581 /nfs/dbraw/zinc/73/55/81/493735581.db2.gz BUEJJGGTEZMTIJ-BBWFWOEESA-N 3 2 357.543 0.667 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC[NH+]1C[C@H](C)OC[C@H]1C ZINC000665763476 493735583 /nfs/dbraw/zinc/73/55/83/493735583.db2.gz BUEJJGGTEZMTIJ-BBWFWOEESA-N 3 2 357.543 0.667 10 0 FCAELP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000665763476 493735585 /nfs/dbraw/zinc/73/55/85/493735585.db2.gz BUEJJGGTEZMTIJ-BBWFWOEESA-N 3 2 357.543 0.667 10 0 FCAELP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000665763476 493735587 /nfs/dbraw/zinc/73/55/87/493735587.db2.gz BUEJJGGTEZMTIJ-BBWFWOEESA-N 3 2 357.543 0.667 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCCN1C[C@H](C)OC[C@H]1C ZINC000665763476 493735589 /nfs/dbraw/zinc/73/55/89/493735589.db2.gz BUEJJGGTEZMTIJ-BBWFWOEESA-N 2 2 357.543 0.667 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCCN1C[C@H](C)OC[C@H]1C ZINC000665763476 493735590 /nfs/dbraw/zinc/73/55/90/493735590.db2.gz BUEJJGGTEZMTIJ-BBWFWOEESA-N 2 2 357.543 0.667 10 0 FCAELP C[C@H]1C[NH+](CCNc2nccnc2NCC[N@@H+]2CCO[C@@H](C)C2)CCO1 ZINC000680954241 493739321 /nfs/dbraw/zinc/73/93/21/493739321.db2.gz HXHOKRJNOIEJGF-HOTGVXAUSA-N 2 2 364.494 0.742 10 0 FCAELP C[C@H]1C[NH+](CCNc2nccnc2NCC[N@H+]2CCO[C@@H](C)C2)CCO1 ZINC000680954241 493739323 /nfs/dbraw/zinc/73/93/23/493739323.db2.gz HXHOKRJNOIEJGF-HOTGVXAUSA-N 2 2 364.494 0.742 10 0 FCAELP C[C@@H](Nc1cncc(N[C@@H](C)[C@@H]2C[NH+](C)CCO2)n1)[C@@H]1C[N@H+](C)CCO1 ZINC000672240337 493745401 /nfs/dbraw/zinc/74/54/01/493745401.db2.gz QOWPCEFJVHCRJC-FZKCQIBNSA-N 2 2 364.494 0.739 10 0 FCAELP C[C@@H](Nc1cncc(N[C@@H](C)[C@@H]2C[NH+](C)CCO2)n1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672240337 493745402 /nfs/dbraw/zinc/74/54/02/493745402.db2.gz QOWPCEFJVHCRJC-FZKCQIBNSA-N 2 2 364.494 0.739 10 0 FCAELP C[C@@H](Nc1cncc(N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)n1)[C@@H]1C[NH+](C)CCO1 ZINC000672240337 493745404 /nfs/dbraw/zinc/74/54/04/493745404.db2.gz QOWPCEFJVHCRJC-FZKCQIBNSA-N 2 2 364.494 0.739 10 0 FCAELP C[C@@H](Nc1cncc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)n1)[C@@H]1C[NH+](C)CCO1 ZINC000672240337 493745406 /nfs/dbraw/zinc/74/54/06/493745406.db2.gz QOWPCEFJVHCRJC-FZKCQIBNSA-N 2 2 364.494 0.739 10 0 FCAELP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000194179945 529054183 /nfs/dbraw/zinc/05/41/83/529054183.db2.gz UDPPWBLQXNIVIL-MRXNPFEDSA-N 2 2 351.495 0.420 10 0 FCAELP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000194179945 529054192 /nfs/dbraw/zinc/05/41/92/529054192.db2.gz UDPPWBLQXNIVIL-MRXNPFEDSA-N 2 2 351.495 0.420 10 0 FCAELP CC[C@@H](C)[C@@H](NC(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1)C(=O)OC ZINC000592184049 546618987 /nfs/dbraw/zinc/61/89/87/546618987.db2.gz YAEBVVSIXBRLLA-GDBMZVCRSA-N 2 2 355.479 0.487 10 0 FCAELP CC[C@@H](C)[C@@H](NC(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1)C(=O)OC ZINC000592184049 546618991 /nfs/dbraw/zinc/61/89/91/546618991.db2.gz YAEBVVSIXBRLLA-GDBMZVCRSA-N 2 2 355.479 0.487 10 0 FCAELP COC(=O)c1cc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)cnc1C ZINC000594822648 546836209 /nfs/dbraw/zinc/83/62/09/546836209.db2.gz XUCXPEPIKNWDJF-UHFFFAOYSA-N 2 2 372.491 0.338 10 0 FCAELP COC(=O)c1cc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)cnc1C ZINC000594822648 546836212 /nfs/dbraw/zinc/83/62/12/546836212.db2.gz XUCXPEPIKNWDJF-UHFFFAOYSA-N 2 2 372.491 0.338 10 0 FCAELP COCC[C@@H]1COCC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000365839766 546848425 /nfs/dbraw/zinc/84/84/25/546848425.db2.gz VVMCYWBTIJBXGO-IAGOWNOFSA-N 2 2 357.495 0.197 10 0 FCAELP COCC[C@@H]1COCC[N@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000365839766 546848429 /nfs/dbraw/zinc/84/84/29/546848429.db2.gz VVMCYWBTIJBXGO-IAGOWNOFSA-N 2 2 357.495 0.197 10 0 FCAELP COCC[C@@H]1COCC[NH+]1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000365839766 546848433 /nfs/dbraw/zinc/84/84/33/546848433.db2.gz VVMCYWBTIJBXGO-IAGOWNOFSA-N 2 2 357.495 0.197 10 0 FCAELP COCC[C@@H]1COCC[NH+]1CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000365839766 546848436 /nfs/dbraw/zinc/84/84/36/546848436.db2.gz VVMCYWBTIJBXGO-IAGOWNOFSA-N 2 2 357.495 0.197 10 0 FCAELP CCNc1nc(N2CC[NH+]([C@H](CC)CO)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000553395027 547275266 /nfs/dbraw/zinc/27/52/66/547275266.db2.gz BCCDGTGBEOGDJY-CYBMUJFWSA-N 2 2 351.499 0.829 10 0 FCAELP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NC[C@H](C)[NH+]2CCOCC2)CC1 ZINC000184829563 547406342 /nfs/dbraw/zinc/40/63/42/547406342.db2.gz HPSLEJAVEWPYKJ-JKSUJKDBSA-N 2 2 356.511 0.441 10 0 FCAELP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C2C[NH+]([C@H]3CCOC3)C2)C[C@@H](C)O1 ZINC000895875308 665061968 /nfs/dbraw/zinc/06/19/68/665061968.db2.gz LWLOHJUZXLOHRY-LMSBXDPUSA-N 2 2 351.491 0.807 10 0 FCAELP CN(CCCN1CC[NH+](C)CC1)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925156061 665174104 /nfs/dbraw/zinc/17/41/04/665174104.db2.gz IMNCNDNKNPDULB-IAGOWNOFSA-N 2 2 369.579 0.845 10 0 FCAELP CN(CCCN1CC[NH+](C)CC1)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000925156061 665174105 /nfs/dbraw/zinc/17/41/05/665174105.db2.gz IMNCNDNKNPDULB-IAGOWNOFSA-N 2 2 369.579 0.845 10 0 FCAELP CN(CCC[NH+]1CCN(C)CC1)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925156061 665174107 /nfs/dbraw/zinc/17/41/07/665174107.db2.gz IMNCNDNKNPDULB-IAGOWNOFSA-N 2 2 369.579 0.845 10 0 FCAELP CN(CCC[NH+]1CCN(C)CC1)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000925156061 665174108 /nfs/dbraw/zinc/17/41/08/665174108.db2.gz IMNCNDNKNPDULB-IAGOWNOFSA-N 2 2 369.579 0.845 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925165183 665176095 /nfs/dbraw/zinc/17/60/95/665176095.db2.gz YLNKSLMMWLDRQU-OAGGEKHMSA-N 2 2 356.536 0.928 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000925165183 665176097 /nfs/dbraw/zinc/17/60/97/665176097.db2.gz YLNKSLMMWLDRQU-OAGGEKHMSA-N 2 2 356.536 0.928 10 0 FCAELP O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000925177861 665178950 /nfs/dbraw/zinc/17/89/50/665178950.db2.gz OQEJGBASLLLEQB-ARFHVFGLSA-N 2 2 354.520 0.682 10 0 FCAELP O=C(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000925177861 665178952 /nfs/dbraw/zinc/17/89/52/665178952.db2.gz OQEJGBASLLLEQB-ARFHVFGLSA-N 2 2 354.520 0.682 10 0 FCAELP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1CC)c1ccco1 ZINC000897535146 665312169 /nfs/dbraw/zinc/31/21/69/665312169.db2.gz AHCDWBSSOKCDCT-GJZGRUSLSA-N 2 2 350.463 0.989 10 0 FCAELP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1CC)c1ccco1 ZINC000897535146 665312171 /nfs/dbraw/zinc/31/21/71/665312171.db2.gz AHCDWBSSOKCDCT-GJZGRUSLSA-N 2 2 350.463 0.989 10 0 FCAELP COC(=O)c1nc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000906662141 666061361 /nfs/dbraw/zinc/06/13/61/666061361.db2.gz UPFBIVMZQNZUTH-LLVKDONJSA-N 2 2 352.460 0.828 10 0 FCAELP COC(=O)c1nc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000906662141 666061362 /nfs/dbraw/zinc/06/13/62/666061362.db2.gz UPFBIVMZQNZUTH-LLVKDONJSA-N 2 2 352.460 0.828 10 0 FCAELP C/C(=C/C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)C[NH+]1CCOCC1 ZINC000907806662 666160933 /nfs/dbraw/zinc/16/09/33/666160933.db2.gz VPPMLNMIIULODS-NOCRFKNCSA-N 2 2 351.491 0.977 10 0 FCAELP C/C(=C/C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)C[NH+]1CCOCC1 ZINC000907806662 666160935 /nfs/dbraw/zinc/16/09/35/666160935.db2.gz VPPMLNMIIULODS-NOCRFKNCSA-N 2 2 351.491 0.977 10 0 FCAELP COC(=O)CC[N@@H+]1CCN(S(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)[C@@H](C)C1 ZINC000914330119 666742009 /nfs/dbraw/zinc/74/20/09/666742009.db2.gz KSFLGHVFKPUUQW-RDJZCZTQSA-N 2 2 373.519 0.371 10 0 FCAELP COC(=O)CC[N@H+]1CCN(S(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)[C@@H](C)C1 ZINC000914330119 666742013 /nfs/dbraw/zinc/74/20/13/666742013.db2.gz KSFLGHVFKPUUQW-RDJZCZTQSA-N 2 2 373.519 0.371 10 0 FCAELP COC(=O)CC[NH+]1CCN(S(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)[C@@H](C)C1 ZINC000914330119 666742022 /nfs/dbraw/zinc/74/20/22/666742022.db2.gz KSFLGHVFKPUUQW-RDJZCZTQSA-N 2 2 373.519 0.371 10 0 FCAELP O=C1C[C@H]([NH2+][C@H](C2CCC2)[C@@H]2CCOC2)CN1CC[NH+]1CCOCC1 ZINC000925445536 667092826 /nfs/dbraw/zinc/09/28/26/667092826.db2.gz CTVBHPVNYFUBED-ZIFCJYIRSA-N 2 2 351.491 0.714 10 0 FCAELP O[C@@H](C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(F)ccc1F ZINC000819077432 668976793 /nfs/dbraw/zinc/97/67/93/668976793.db2.gz KTJJFVHGCFMYPW-QAPCUYQASA-N 2 2 355.429 0.994 10 0 FCAELP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CC1 ZINC000795315021 669025882 /nfs/dbraw/zinc/02/58/82/669025882.db2.gz JQZIPJQXYZXERS-MAUKXSAKSA-N 2 2 352.479 0.703 10 0 FCAELP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CC1 ZINC000795315021 669025888 /nfs/dbraw/zinc/02/58/88/669025888.db2.gz JQZIPJQXYZXERS-MAUKXSAKSA-N 2 2 352.479 0.703 10 0 FCAELP CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000795315021 669025892 /nfs/dbraw/zinc/02/58/92/669025892.db2.gz JQZIPJQXYZXERS-MAUKXSAKSA-N 2 2 352.479 0.703 10 0 FCAELP CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000795315021 669025900 /nfs/dbraw/zinc/02/59/00/669025900.db2.gz JQZIPJQXYZXERS-MAUKXSAKSA-N 2 2 352.479 0.703 10 0 FCAELP O=C1[C@@H](O)C2(CN1C[NH+]1CCC(C[NH+]3CCCC3)CC1)CCOCC2 ZINC000840000858 669345795 /nfs/dbraw/zinc/34/57/95/669345795.db2.gz TYYFBCRSWGKHOV-QGZVFWFLSA-N 2 2 351.491 0.752 10 0 FCAELP C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000829645044 669714838 /nfs/dbraw/zinc/71/48/38/669714838.db2.gz CJWBSPDNKHJPJK-LSDHHAIUSA-N 2 2 354.495 0.996 10 0 FCAELP CCOP(=O)(OCC)[C@H](O)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000851725540 671463566 /nfs/dbraw/zinc/46/35/66/671463566.db2.gz FMLJUGIQZBDANE-AWEZNQCLSA-N 2 2 351.384 0.277 10 0 FCAELP C(C[NH+]1CCOCC1)N1CCC([NH2+][C@@H]2CCCN3CCSC[C@H]23)CC1 ZINC000903271129 675923276 /nfs/dbraw/zinc/92/32/76/675923276.db2.gz JEBNSHAJQRLSRL-RTBURBONSA-N 2 2 368.591 0.952 10 0 FCAELP CS(=O)(=O)c1cccc(C(=O)N2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)c1 ZINC000903439312 675930210 /nfs/dbraw/zinc/93/02/10/675930210.db2.gz FQBFLLWTAKAIOL-ZBFHGGJFSA-N 2 2 365.499 0.975 10 0 FCAELP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857885112 671745128 /nfs/dbraw/zinc/74/51/28/671745128.db2.gz OSWSOOAEABMNGY-GXTWGEPZSA-N 2 2 351.451 0.769 10 0 FCAELP C[C@@H]1C[C@H](S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CCO1 ZINC000903562848 675945319 /nfs/dbraw/zinc/94/53/19/675945319.db2.gz WRCQXYFMEGDEFU-MXASKKJJSA-N 2 2 357.520 0.784 10 0 FCAELP C[C@@H]1C[C@H](S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CCO1 ZINC000903562848 675945320 /nfs/dbraw/zinc/94/53/20/675945320.db2.gz WRCQXYFMEGDEFU-MXASKKJJSA-N 2 2 357.520 0.784 10 0 FCAELP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C[C@H]1C(F)(F)F ZINC000903726348 675964166 /nfs/dbraw/zinc/96/41/66/675964166.db2.gz IRUOVDTZPSAKFD-HBNTYKKESA-N 2 2 359.352 0.464 10 0 FCAELP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903757460 675968714 /nfs/dbraw/zinc/96/87/14/675968714.db2.gz XYQOYJYXVXSRKQ-NEPJUHHUSA-N 2 2 361.368 0.470 10 0 FCAELP O=C(/C=C\C[NH+]1CCOCC1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000869227736 672426337 /nfs/dbraw/zinc/42/63/37/672426337.db2.gz RXQYATFOEWSXIM-UPHRSURJSA-N 2 2 351.491 0.882 10 0 FCAELP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923612796 672440206 /nfs/dbraw/zinc/44/02/06/672440206.db2.gz NCUSCGRHYIHNCZ-CVEARBPZSA-N 2 2 367.519 0.264 10 0 FCAELP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923618802 672486081 /nfs/dbraw/zinc/48/60/81/672486081.db2.gz PWRBLADXQJEKFV-FUHWJXTLSA-N 2 2 366.531 0.869 10 0 FCAELP C[C@@H]1CN(C(=O)N[C@@H]2CCC[NH+]3CCSC[C@H]23)C[C@H](C)[N@H+]1CCO ZINC000925171680 673781886 /nfs/dbraw/zinc/78/18/86/673781886.db2.gz LEUNOCGXWODLNI-QKPAOTATSA-N 2 2 356.536 0.663 10 0 FCAELP C[C@@H]1CN(C(=O)N[C@@H]2CCC[NH+]3CCSC[C@H]23)C[C@H](C)[N@@H+]1CCO ZINC000925171680 673781888 /nfs/dbraw/zinc/78/18/88/673781888.db2.gz LEUNOCGXWODLNI-QKPAOTATSA-N 2 2 356.536 0.663 10 0 FCAELP C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)C[C@H](C)[NH+]1CCO ZINC000925171680 673781891 /nfs/dbraw/zinc/78/18/91/673781891.db2.gz LEUNOCGXWODLNI-QKPAOTATSA-N 2 2 356.536 0.663 10 0 FCAELP C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)C[C@H](C)[NH+]1CCO ZINC000925171680 673781893 /nfs/dbraw/zinc/78/18/93/673781893.db2.gz LEUNOCGXWODLNI-QKPAOTATSA-N 2 2 356.536 0.663 10 0 FCAELP CN(CCO)S(=O)(=O)c1ccccc1C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925620423 673797500 /nfs/dbraw/zinc/79/75/00/673797500.db2.gz WEJPUDQJVYZEMG-JKSUJKDBSA-N 2 2 353.488 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ZINC000897489313 1192193951 /nfs/dbraw/zinc/19/39/51/1192193951.db2.gz CXENVQGKHBOJNR-CABCVRRESA-N 2 2 356.430 0.520 10 0 FCAELP C[C@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)N1CC[NH2+]CC1=O ZINC000705746069 1168380490 /nfs/dbraw/zinc/38/04/90/1168380490.db2.gz RXOVUJZDJFARCL-NZSAHSFTSA-N 2 2 370.497 0.787 10 0 FCAELP C[C@H](C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)N1CC[NH2+]CC1=O ZINC000705746069 1168380498 /nfs/dbraw/zinc/38/04/98/1168380498.db2.gz RXOVUJZDJFARCL-NZSAHSFTSA-N 2 2 370.497 0.787 10 0 FCAELP CN(C)c1cccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1 ZINC001482770622 1192383238 /nfs/dbraw/zinc/38/32/38/1192383238.db2.gz UAUJMPKCKWWJHP-KZNAEPCWSA-N 2 2 371.485 0.857 10 0 FCAELP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000581477823 1170364701 /nfs/dbraw/zinc/36/47/01/1170364701.db2.gz DPAKNVZEYGTURJ-JKSUJKDBSA-N 2 2 374.489 0.418 10 0 FCAELP CC[NH+](CC)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H]1C ZINC001719615708 1170382152 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GXAZWQHKZKYVGZ-ZIFCJYIRSA-N 2 2 369.506 0.219 10 0 FCAELP CCCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001271166829 1190050059 /nfs/dbraw/zinc/05/00/59/1190050059.db2.gz GXAZWQHKZKYVGZ-ZIFCJYIRSA-N 2 2 369.506 0.219 10 0 FCAELP C[N@H+](CCNC(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000551253722 1193846711 /nfs/dbraw/zinc/84/67/11/1193846711.db2.gz LYJBMTYWUXEZAP-UHFFFAOYSA-N 2 2 355.442 0.758 10 0 FCAELP C[N@@H+](CCNC(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000551253722 1193846712 /nfs/dbraw/zinc/84/67/12/1193846712.db2.gz LYJBMTYWUXEZAP-UHFFFAOYSA-N 2 2 355.442 0.758 10 0 FCAELP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000551294946 1193849266 /nfs/dbraw/zinc/84/92/66/1193849266.db2.gz UTVYFRZOBKHMMK-UHFFFAOYSA-N 2 2 361.490 0.965 10 0 FCAELP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCN(C[C@H]2CCCC[NH+]2C)CC1 ZINC000553114863 1193972474 /nfs/dbraw/zinc/97/24/74/1193972474.db2.gz WPWAQJRVOQSHLW-QZTJIDSGSA-N 2 2 367.538 0.519 10 0 FCAELP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCN(C[C@H]2CCCC[NH+]2C)CC1 ZINC000553114863 1193972478 /nfs/dbraw/zinc/97/24/78/1193972478.db2.gz WPWAQJRVOQSHLW-QZTJIDSGSA-N 2 2 367.538 0.519 10 0 FCAELP C[C@@H]1COCC[NH+]1CCNC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000553114863 1193972483 /nfs/dbraw/zinc/97/24/83/1193972483.db2.gz WPWAQJRVOQSHLW-QZTJIDSGSA-N 2 2 367.538 0.519 10 0 FCAELP C[C@@H]1COCC[NH+]1CCNC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000553114863 1193972485 /nfs/dbraw/zinc/97/24/85/1193972485.db2.gz WPWAQJRVOQSHLW-QZTJIDSGSA-N 2 2 367.538 0.519 10 0 FCAELP COCC[N@@H+]1CCCN(C(=O)c2cccn2CC[NH+]2CCOCC2)CC1 ZINC000906411258 1195628785 /nfs/dbraw/zinc/62/87/85/1195628785.db2.gz NWPDGOHFYVOMBR-UHFFFAOYSA-N 2 2 364.490 0.615 10 0 FCAELP COCC[N@H+]1CCCN(C(=O)c2cccn2CC[NH+]2CCOCC2)CC1 ZINC000906411258 1195628789 /nfs/dbraw/zinc/62/87/89/1195628789.db2.gz NWPDGOHFYVOMBR-UHFFFAOYSA-N 2 2 364.490 0.615 10 0 FCAELP CCOC1CC(CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)([NH+]2CCOCC2)C1 ZINC000907774273 1195710808 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IXWBHKHJECIIQC-INIZCTEOSA-N 2 2 364.465 0.716 10 0 FCAELP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@@H+](C)[C@H](CO)C3)cc2F)CC1 ZINC000913548268 1196457302 /nfs/dbraw/zinc/45/73/02/1196457302.db2.gz IXWBHKHJECIIQC-INIZCTEOSA-N 2 2 364.465 0.716 10 0 FCAELP CC(=O)Nc1cccc2c1CC[N@@H+]([C@H]1CC(=O)N(CC[NH+](C)C)C1=O)C2 ZINC000592823928 1196583756 /nfs/dbraw/zinc/58/37/56/1196583756.db2.gz DJCBZFZNFXLQHI-KRWDZBQOSA-N 2 2 358.442 0.692 10 0 FCAELP CC(=O)Nc1cccc2c1CC[N@H+]([C@H]1CC(=O)N(CC[NH+](C)C)C1=O)C2 ZINC000592823928 1196583762 /nfs/dbraw/zinc/58/37/62/1196583762.db2.gz DJCBZFZNFXLQHI-KRWDZBQOSA-N 2 2 358.442 0.692 10 0 FCAELP Cc1ccc(C[NH+]2CCO[C@H](CNC(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)C2)cc1 ZINC000913756826 1197124679 /nfs/dbraw/zinc/12/46/79/1197124679.db2.gz GJBMKWXHKJMNGR-GGPKGHCWSA-N 2 2 361.486 0.767 10 0 FCAELP Cc1ccc(C[NH+]2CCO[C@H](CNC(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)C2)cc1 ZINC000913756826 1197124688 /nfs/dbraw/zinc/12/46/88/1197124688.db2.gz GJBMKWXHKJMNGR-GGPKGHCWSA-N 2 2 361.486 0.767 10 0 FCAELP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@]3(C)C[C@@H](O)C[NH+]3C)C2)cc1 ZINC000913756826 1197124694 /nfs/dbraw/zinc/12/46/94/1197124694.db2.gz GJBMKWXHKJMNGR-GGPKGHCWSA-N 2 2 361.486 0.767 10 0 FCAELP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@]3(C)C[C@@H](O)C[NH+]3C)C2)cc1 ZINC000913756826 1197124699 /nfs/dbraw/zinc/12/46/99/1197124699.db2.gz GJBMKWXHKJMNGR-GGPKGHCWSA-N 2 2 361.486 0.767 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000914082418 1197222483 /nfs/dbraw/zinc/22/24/83/1197222483.db2.gz FCSLWZMALBGYGJ-SJORKVTESA-N 2 2 368.522 0.992 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000914082417 1197223118 /nfs/dbraw/zinc/22/31/18/1197223118.db2.gz FCSLWZMALBGYGJ-IRXDYDNUSA-N 2 2 368.522 0.992 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000785728567 1200790228 /nfs/dbraw/zinc/79/02/28/1200790228.db2.gz CAPVJHILKOMEPA-IXDOHACOSA-N 2 2 369.506 0.875 10 0 FCAELP 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Cc1nn(C)cc1C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001489310004 1208745405 /nfs/dbraw/zinc/74/54/05/1208745405.db2.gz WXHRATDSNZESCA-LESCRADOSA-N 2 2 363.506 0.776 10 0 FCAELP C[C@H](CC(=O)N1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1)n1cc[nH+]c1 ZINC001489381435 1208803517 /nfs/dbraw/zinc/80/35/17/1208803517.db2.gz LKPZLFSZGHPBQQ-BZUAXINKSA-N 2 2 365.478 0.254 10 0 FCAELP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001489480776 1208858162 /nfs/dbraw/zinc/85/81/62/1208858162.db2.gz HXBWQWGNUUVAHR-GDBMZVCRSA-N 2 2 361.490 0.800 10 0 FCAELP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001489929231 1209161710 /nfs/dbraw/zinc/16/17/10/1209161710.db2.gz LKNVBGZWWFVICO-GDBMZVCRSA-N 2 2 363.462 0.028 10 0 FCAELP CCO[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001489934642 1209168230 /nfs/dbraw/zinc/16/82/30/1209168230.db2.gz SFBHOVZRZGCRPQ-OWCLPIDISA-N 2 2 365.478 0.203 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001490106149 1209233363 /nfs/dbraw/zinc/23/33/63/1209233363.db2.gz DVFMMONUSWXDRF-CVEARBPZSA-N 2 2 359.474 0.865 10 0 FCAELP CCC[N@H+](C)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H]1C ZINC001490118113 1209242429 /nfs/dbraw/zinc/24/24/29/1209242429.db2.gz YFEURNBMRDLOBI-OAGGEKHMSA-N 2 2 361.490 0.893 10 0 FCAELP CCC[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H]1C ZINC001490118113 1209242434 /nfs/dbraw/zinc/24/24/34/1209242434.db2.gz YFEURNBMRDLOBI-OAGGEKHMSA-N 2 2 361.490 0.893 10 0 FCAELP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H]1C ZINC001490136308 1209264922 /nfs/dbraw/zinc/26/49/22/1209264922.db2.gz UXLBQEMLEXJZHX-SNPRPXQTSA-N 2 2 353.442 0.738 10 0 FCAELP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCC[N@@H+]1C ZINC001490675281 1209399544 /nfs/dbraw/zinc/39/95/44/1209399544.db2.gz GYYCCPMHAINLRP-FXUDXRNXSA-N 2 2 359.474 0.695 10 0 FCAELP 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O=C(CC[N@@H+]1CCC2=C(CCC(=O)N2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000852298472 1209542195 /nfs/dbraw/zinc/54/21/95/1209542195.db2.gz BGAUXFFMCVJRHB-UHFFFAOYSA-N 2 2 369.469 0.990 10 0 FCAELP O=C(CC[N@H+]1CCC2=C(CCC(=O)N2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000852298472 1209542203 /nfs/dbraw/zinc/54/22/03/1209542203.db2.gz BGAUXFFMCVJRHB-UHFFFAOYSA-N 2 2 369.469 0.990 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC3=C(CCC(=O)N3)C2)C1 ZINC000852301251 1209542292 /nfs/dbraw/zinc/54/22/92/1209542292.db2.gz JMYINGUHMGBPTF-INIZCTEOSA-N 2 2 364.490 0.329 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC3=C(CCC(=O)N3)C2)C1 ZINC000852301251 1209542294 /nfs/dbraw/zinc/54/22/94/1209542294.db2.gz JMYINGUHMGBPTF-INIZCTEOSA-N 2 2 364.490 0.329 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC3=C(CCC(=O)N3)C2)C1 ZINC000852301251 1209542296 /nfs/dbraw/zinc/54/22/96/1209542296.db2.gz JMYINGUHMGBPTF-INIZCTEOSA-N 2 2 364.490 0.329 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC3=C(CCC(=O)N3)C2)C1 ZINC000852301251 1209542299 /nfs/dbraw/zinc/54/22/99/1209542299.db2.gz JMYINGUHMGBPTF-INIZCTEOSA-N 2 2 364.490 0.329 10 0 FCAELP [NH3+]C[C@@H]1CC(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)=NO1 ZINC000852863220 1209568506 /nfs/dbraw/zinc/56/85/06/1209568506.db2.gz SGOGNTMPZWZFPN-HNNXBMFYSA-N 2 2 362.430 0.117 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC000855416152 1209668945 /nfs/dbraw/zinc/66/89/45/1209668945.db2.gz HRZMVKTXTBRARR-KRWDZBQOSA-N 2 2 374.489 0.106 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC000855416152 1209668965 /nfs/dbraw/zinc/66/89/65/1209668965.db2.gz HRZMVKTXTBRARR-KRWDZBQOSA-N 2 2 374.489 0.106 10 0 FCAELP CC(=O)N1C[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)Oc2ccccc21 ZINC000855417264 1209669114 /nfs/dbraw/zinc/66/91/14/1209669114.db2.gz WODIOCWGKGBHJF-GOSISDBHSA-N 2 2 362.474 0.800 10 0 FCAELP CC(=O)N1C[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)Oc2ccccc21 ZINC000855417264 1209669117 /nfs/dbraw/zinc/66/91/17/1209669117.db2.gz WODIOCWGKGBHJF-GOSISDBHSA-N 2 2 362.474 0.800 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)CN1c2ccccc2OCCC1=O ZINC000855416569 1209669369 /nfs/dbraw/zinc/66/93/69/1209669369.db2.gz OLUPWMKQUUQBHX-UHFFFAOYSA-N 2 2 362.474 0.802 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CN1c2ccccc2OCCC1=O ZINC000855416569 1209669375 /nfs/dbraw/zinc/66/93/75/1209669375.db2.gz OLUPWMKQUUQBHX-UHFFFAOYSA-N 2 2 362.474 0.802 10 0 FCAELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC000856327357 1209704577 /nfs/dbraw/zinc/70/45/77/1209704577.db2.gz HFTVCBMBTZTFTG-LJQANCHMSA-N 2 2 360.502 0.641 10 0 FCAELP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC000856327356 1209705299 /nfs/dbraw/zinc/70/52/99/1209705299.db2.gz HFTVCBMBTZTFTG-IBGZPJMESA-N 2 2 360.502 0.641 10 0 FCAELP COc1ccnc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1OC ZINC000863547880 1209944704 /nfs/dbraw/zinc/94/47/04/1209944704.db2.gz MDQPAQAVNOQTSC-ZBFHGGJFSA-N 2 2 362.430 0.856 10 0 FCAELP COc1ccc(NC(=O)C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000863551912 1209945040 /nfs/dbraw/zinc/94/50/40/1209945040.db2.gz SUPJUUITFOWEPE-SJORKVTESA-N 2 2 374.441 0.891 10 0 FCAELP COc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866708697 1210002681 /nfs/dbraw/zinc/00/26/81/1210002681.db2.gz NVBRXKVIUNAIOQ-CXUGXGMPSA-N 2 2 374.441 0.889 10 0 FCAELP COc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866708697 1210002684 /nfs/dbraw/zinc/00/26/84/1210002684.db2.gz NVBRXKVIUNAIOQ-CXUGXGMPSA-N 2 2 374.441 0.889 10 0 FCAELP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)C[C@H]1n1cc[nH+]c1 ZINC000867578543 1210014740 /nfs/dbraw/zinc/01/47/40/1210014740.db2.gz QBWHWPYEKJDMPW-YYIAUSFCSA-N 2 2 359.474 0.845 10 0 FCAELP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)C[C@H]1n1cc[nH+]c1 ZINC000867578543 1210014743 /nfs/dbraw/zinc/01/47/43/1210014743.db2.gz QBWHWPYEKJDMPW-YYIAUSFCSA-N 2 2 359.474 0.845 10 0 FCAELP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)C[C@@H]1n1cc[nH+]c1 ZINC000867578541 1210015324 /nfs/dbraw/zinc/01/53/24/1210015324.db2.gz QBWHWPYEKJDMPW-TWMKSMIVSA-N 2 2 359.474 0.845 10 0 FCAELP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)C[C@@H]1n1cc[nH+]c1 ZINC000867578541 1210015327 /nfs/dbraw/zinc/01/53/27/1210015327.db2.gz QBWHWPYEKJDMPW-TWMKSMIVSA-N 2 2 359.474 0.845 10 0 FCAELP COC[C@]1(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)CC[NH2+]C1 ZINC000867998460 1210038239 /nfs/dbraw/zinc/03/82/39/1210038239.db2.gz WLCNXLVUGOCEOI-QUCCMNQESA-N 2 2 361.486 0.938 10 0 FCAELP COC[C@]1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)CC[NH2+]C1 ZINC000867998460 1210038244 /nfs/dbraw/zinc/03/82/44/1210038244.db2.gz WLCNXLVUGOCEOI-QUCCMNQESA-N 2 2 361.486 0.938 10 0 FCAELP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000868280415 1210048757 /nfs/dbraw/zinc/04/87/57/1210048757.db2.gz FLUDEYHZCIZYKQ-SFHVURJKSA-N 2 2 367.538 0.519 10 0 FCAELP 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Cc1ccc(C[N@@H+]2CCO[C@@H](CN3C(=O)N[C@@H](C[NH+](C)C)C3=O)C2)cc1 ZINC000925046047 1211489288 /nfs/dbraw/zinc/48/92/88/1211489288.db2.gz NSOQDTUNULJWDN-SJORKVTESA-N 2 2 360.458 0.678 10 0 FCAELP Cc1ccc(C[N@H+]2CCO[C@@H](CN3C(=O)N[C@@H](C[NH+](C)C)C3=O)C2)cc1 ZINC000925046047 1211489290 /nfs/dbraw/zinc/48/92/90/1211489290.db2.gz NSOQDTUNULJWDN-SJORKVTESA-N 2 2 360.458 0.678 10 0 FCAELP CN1CC[N@H+](Cc2ccccc2)[C@H](CN2C(=O)N[C@H](C[NH+](C)C)C2=O)C1 ZINC000925370488 1211497475 /nfs/dbraw/zinc/49/74/75/1211497475.db2.gz MGKQIOJDSAXYCX-DLBZAZTESA-N 2 2 359.474 0.285 10 0 FCAELP CN1CC[N@@H+](Cc2ccccc2)[C@H](CN2C(=O)N[C@H](C[NH+](C)C)C2=O)C1 ZINC000925370488 1211497478 /nfs/dbraw/zinc/49/74/78/1211497478.db2.gz MGKQIOJDSAXYCX-DLBZAZTESA-N 2 2 359.474 0.285 10 0 FCAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000925838028 1211508373 /nfs/dbraw/zinc/50/83/73/1211508373.db2.gz JMDWUCOUHGWUND-NVXWUHKLSA-N 2 2 362.474 0.118 10 0 FCAELP O=C(C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926285091 1211525808 /nfs/dbraw/zinc/52/58/08/1211525808.db2.gz HUSSBUIFWOMJEW-QFBILLFUSA-N 2 2 364.490 0.054 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC[C@@H]1C[NH3+] ZINC000926330487 1211532322 /nfs/dbraw/zinc/53/23/22/1211532322.db2.gz NABWOBXXASUJPN-BRWVUGGUSA-N 2 2 366.506 0.143 10 0 FCAELP O=C(C(=O)N1CC[C@]2(C1)CCCC[NH2+]2)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000926348970 1211537034 /nfs/dbraw/zinc/53/70/34/1211537034.db2.gz XSUCILIHMRQFAC-APWZRJJASA-N 2 2 358.442 0.806 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N3CC[C@]4(C3)CCCC[NH2+]4)CC2)cc[nH+]1 ZINC000926349125 1211537233 /nfs/dbraw/zinc/53/72/33/1211537233.db2.gz UFFLFOOWKREBLP-IBGZPJMESA-N 2 2 372.473 0.178 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N3CC[C@@]4(C3)CCCC[NH2+]4)CC2)cc[nH+]1 ZINC000926349127 1211537656 /nfs/dbraw/zinc/53/76/56/1211537656.db2.gz UFFLFOOWKREBLP-LJQANCHMSA-N 2 2 372.473 0.178 10 0 FCAELP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC000926366028 1211540403 /nfs/dbraw/zinc/54/04/03/1211540403.db2.gz HTSGHMGFYSVAOZ-HNAYVOBHSA-N 2 2 359.474 0.871 10 0 FCAELP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000927292709 1211569063 /nfs/dbraw/zinc/56/90/63/1211569063.db2.gz MNZIPNNROODHSD-TVRKMHQQSA-N 2 2 368.522 0.728 10 0 FCAELP C[NH+]1CC[C@@H]1CNC(=O)[C@@]1(c2ccccc2)C[C@H]1C(=O)NC[C@H]1CC[N@H+]1C ZINC000928572024 1211605064 /nfs/dbraw/zinc/60/50/64/1211605064.db2.gz UVGUDWKGGMSNPR-DCXXXQMHSA-N 2 2 370.497 0.585 10 0 FCAELP C[NH+]1CC[C@@H]1CNC(=O)[C@@]1(c2ccccc2)C[C@H]1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928572024 1211605067 /nfs/dbraw/zinc/60/50/67/1211605067.db2.gz UVGUDWKGGMSNPR-DCXXXQMHSA-N 2 2 370.497 0.585 10 0 FCAELP C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@@]1(C(=O)NC[C@H]1CC[N@@H+]1C)c1ccccc1 ZINC000928572024 1211605068 /nfs/dbraw/zinc/60/50/68/1211605068.db2.gz UVGUDWKGGMSNPR-DCXXXQMHSA-N 2 2 370.497 0.585 10 0 FCAELP C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@@]1(C(=O)NC[C@H]1CC[N@H+]1C)c1ccccc1 ZINC000928572024 1211605069 /nfs/dbraw/zinc/60/50/69/1211605069.db2.gz UVGUDWKGGMSNPR-DCXXXQMHSA-N 2 2 370.497 0.585 10 0 FCAELP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000900207987 1217970707 /nfs/dbraw/zinc/97/07/07/1217970707.db2.gz ANTWEOGKMCMQJM-UYAOXDASSA-N 2 2 360.502 0.505 10 0 FCAELP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000900207987 1217970713 /nfs/dbraw/zinc/97/07/13/1217970713.db2.gz ANTWEOGKMCMQJM-UYAOXDASSA-N 2 2 360.502 0.505 10 0 FCAELP CN1CC[NH+](Cc2ccc(CNC(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)cc2)CC1 ZINC000900207987 1217970718 /nfs/dbraw/zinc/97/07/18/1217970718.db2.gz ANTWEOGKMCMQJM-UYAOXDASSA-N 2 2 360.502 0.505 10 0 FCAELP CN1CC[NH+](Cc2ccc(CNC(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)cc2)CC1 ZINC000900207987 1217970723 /nfs/dbraw/zinc/97/07/23/1217970723.db2.gz ANTWEOGKMCMQJM-UYAOXDASSA-N 2 2 360.502 0.505 10 0 FCAELP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000900207986 1217971031 /nfs/dbraw/zinc/97/10/31/1217971031.db2.gz ANTWEOGKMCMQJM-QUCCMNQESA-N 2 2 360.502 0.505 10 0 FCAELP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000900207986 1217971037 /nfs/dbraw/zinc/97/10/37/1217971037.db2.gz ANTWEOGKMCMQJM-QUCCMNQESA-N 2 2 360.502 0.505 10 0 FCAELP CN1CC[NH+](Cc2ccc(CNC(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)cc2)CC1 ZINC000900207986 1217971045 /nfs/dbraw/zinc/97/10/45/1217971045.db2.gz ANTWEOGKMCMQJM-QUCCMNQESA-N 2 2 360.502 0.505 10 0 FCAELP CN1CC[NH+](Cc2ccc(CNC(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)cc2)CC1 ZINC000900207986 1217971051 /nfs/dbraw/zinc/97/10/51/1217971051.db2.gz ANTWEOGKMCMQJM-QUCCMNQESA-N 2 2 360.502 0.505 10 0 FCAELP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)cc2)CC1 ZINC000900412107 1217985692 /nfs/dbraw/zinc/98/56/92/1217985692.db2.gz HMKITPIDAHVRHX-YLJYHZDGSA-N 2 2 374.485 0.858 10 0 FCAELP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)cc2)CC1 ZINC000900412107 1217985700 /nfs/dbraw/zinc/98/57/00/1217985700.db2.gz HMKITPIDAHVRHX-YLJYHZDGSA-N 2 2 374.485 0.858 10 0 FCAELP C/C(=C\C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)C[NH+]1CCOCC1 ZINC000900504504 1218000098 /nfs/dbraw/zinc/00/00/98/1218000098.db2.gz MMEOHWDGCCPWHA-VOGRQWBCSA-N 2 2 364.490 0.206 10 0 FCAELP C/C(=C\C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)C[NH+]1CCOCC1 ZINC000900504504 1218000101 /nfs/dbraw/zinc/00/01/01/1218000101.db2.gz MMEOHWDGCCPWHA-VOGRQWBCSA-N 2 2 364.490 0.206 10 0 FCAELP CN(C(=O)C1(C2CC2)CC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000900604607 1218011194 /nfs/dbraw/zinc/01/11/94/1218011194.db2.gz DTMVSTVAWIHDRX-UHFFFAOYSA-N 2 2 362.518 0.873 10 0 FCAELP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900744024 1218032869 /nfs/dbraw/zinc/03/28/69/1218032869.db2.gz YPUFNHKHWYLGFA-ZACQAIPSSA-N 2 2 364.490 0.053 10 0 FCAELP 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O=C(C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)NCc1cccnc1 ZINC001491026204 1220071382 /nfs/dbraw/zinc/07/13/82/1220071382.db2.gz LBRVARDAXNSPGI-QKPAOTATSA-N 2 2 368.441 0.461 10 0 FCAELP Cc1ccnc(C2CC[NH+](CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)CC2)n1 ZINC000758247325 1220208146 /nfs/dbraw/zinc/20/81/46/1220208146.db2.gz PBZWBINXDBIDTI-UHFFFAOYSA-N 2 2 372.473 0.938 10 0 FCAELP C[C@H](CNC(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001118390205 1221772945 /nfs/dbraw/zinc/77/29/45/1221772945.db2.gz QHQDPDRPVXWKQD-OAGGEKHMSA-N 2 2 368.522 0.543 10 0 FCAELP C[C@H](CNC(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001118390205 1221772949 /nfs/dbraw/zinc/77/29/49/1221772949.db2.gz QHQDPDRPVXWKQD-OAGGEKHMSA-N 2 2 368.522 0.543 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3noc4c3COCC4)C2)CC1 ZINC001119610044 1221940200 /nfs/dbraw/zinc/94/02/00/1221940200.db2.gz VGYOVISIVNRUKW-ZDUSSCGKSA-N 2 2 363.462 0.715 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3noc4c3COCC4)C2)CC1 ZINC001119610044 1221940205 /nfs/dbraw/zinc/94/02/05/1221940205.db2.gz VGYOVISIVNRUKW-ZDUSSCGKSA-N 2 2 363.462 0.715 10 0 FCAELP C[C@@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@H]1CN(C)CC[N@@H+]1C ZINC001123793987 1222357953 /nfs/dbraw/zinc/35/79/53/1222357953.db2.gz HGXVLGMJKSSZHG-BRSBDYLESA-N 3 2 368.570 0.002 10 0 FCAELP C[C@@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@H]1CN(C)CC[N@H+]1C ZINC001123793987 1222357955 /nfs/dbraw/zinc/35/79/55/1222357955.db2.gz HGXVLGMJKSSZHG-BRSBDYLESA-N 3 2 368.570 0.002 10 0 FCAELP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000842203878 1222841177 /nfs/dbraw/zinc/84/11/77/1222841177.db2.gz YFQHVLBETHFMSB-FXAWDEMLSA-N 2 2 356.470 0.891 10 0 FCAELP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000842203878 1222841178 /nfs/dbraw/zinc/84/11/78/1222841178.db2.gz YFQHVLBETHFMSB-FXAWDEMLSA-N 2 2 356.470 0.891 10 0 FCAELP 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CC[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001282269927 1261398892 /nfs/dbraw/zinc/39/88/92/1261398892.db2.gz NCQNMAFQMLFYFU-BBWFWOEESA-N 2 2 368.522 0.545 10 0 FCAELP CC[NH+](CC)CC(=O)N1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC001345441375 1261708976 /nfs/dbraw/zinc/70/89/76/1261708976.db2.gz WJCWDSPIMGUOHQ-PMPSAXMXSA-N 2 2 361.490 0.893 10 0 FCAELP CC[C@@H](C(=O)NCCC[NH+]1CCN(C(=O)[C@]23C[C@H]2COC3)CC1)[NH+](C)C ZINC001283820914 1261709775 /nfs/dbraw/zinc/70/97/75/1261709775.db2.gz RZPQAAVXLFNPMP-BXWFABGCSA-N 2 2 366.506 0.014 10 0 FCAELP CCn1ccc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n1 ZINC001284448808 1261757505 /nfs/dbraw/zinc/75/75/05/1261757505.db2.gz UDQMIBWSJZWGPT-BZUAXINKSA-N 2 2 360.462 0.349 10 0 FCAELP CC[NH+](CC)CC(=O)N1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001284862595 1261792948 /nfs/dbraw/zinc/79/29/48/1261792948.db2.gz FZTRFTXJFLPDME-ARFHVFGLSA-N 2 2 361.490 0.973 10 0 FCAELP CC(C)[C@@H](C(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH+](C)C ZINC001285602384 1261859662 /nfs/dbraw/zinc/85/96/62/1261859662.db2.gz ICILSWFHYQZMEK-MJIFEULRSA-N 2 2 361.490 0.898 10 0 FCAELP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001286483130 1261938062 /nfs/dbraw/zinc/93/80/62/1261938062.db2.gz YXNXLWVUBSPXED-KBUPBQIOSA-N 2 2 359.474 0.866 10 0 FCAELP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001286483130 1261938066 /nfs/dbraw/zinc/93/80/66/1261938066.db2.gz YXNXLWVUBSPXED-KBUPBQIOSA-N 2 2 359.474 0.866 10 0 FCAELP C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001287666398 1261967537 /nfs/dbraw/zinc/96/75/37/1261967537.db2.gz GDEVDRZDVUUFMM-RBSFLKMASA-N 2 2 359.474 0.583 10 0 FCAELP C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001287666399 1261967713 /nfs/dbraw/zinc/96/77/13/1261967713.db2.gz GDEVDRZDVUUFMM-RRFJBIMHSA-N 2 2 359.474 0.583 10 0 FCAELP C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)NC(=O)C[N@H+](C)C1CCC1 ZINC001287722941 1261970940 /nfs/dbraw/zinc/97/09/40/1261970940.db2.gz VBRUOIUMNOASIE-NUEKZKHPSA-N 2 2 361.490 0.971 10 0 FCAELP C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001287722941 1261970944 /nfs/dbraw/zinc/97/09/44/1261970944.db2.gz VBRUOIUMNOASIE-NUEKZKHPSA-N 2 2 361.490 0.971 10 0 FCAELP CC[N@H+](C)CCC(=O)N1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC001290656423 1262487416 /nfs/dbraw/zinc/48/74/16/1262487416.db2.gz SZZCGTPYOLPVKN-INMHGKMJSA-N 2 2 361.490 0.893 10 0 FCAELP CC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC001290656423 1262487419 /nfs/dbraw/zinc/48/74/19/1262487419.db2.gz SZZCGTPYOLPVKN-INMHGKMJSA-N 2 2 361.490 0.893 10 0 FCAELP CCC[N@H+](C)CC(=O)NCC[C@@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)C[C@H]1C ZINC001291651819 1262573544 /nfs/dbraw/zinc/57/35/44/1262573544.db2.gz JYXCKPOTEZIGNO-ZACQAIPSSA-N 2 2 368.522 0.260 10 0 FCAELP CCC[N@@H+](C)CC(=O)NCC[C@@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)C[C@H]1C ZINC001291651819 1262573545 /nfs/dbraw/zinc/57/35/45/1262573545.db2.gz JYXCKPOTEZIGNO-ZACQAIPSSA-N 2 2 368.522 0.260 10 0 FCAELP CCC[NH+](C)CC(=O)NCC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001291651819 1262573546 /nfs/dbraw/zinc/57/35/46/1262573546.db2.gz JYXCKPOTEZIGNO-ZACQAIPSSA-N 2 2 368.522 0.260 10 0 FCAELP CCC[NH+](C)CC(=O)NCC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001291651819 1262573549 /nfs/dbraw/zinc/57/35/49/1262573549.db2.gz JYXCKPOTEZIGNO-ZACQAIPSSA-N 2 2 368.522 0.260 10 0 FCAELP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2)C1 ZINC001292293243 1262681317 /nfs/dbraw/zinc/68/13/17/1262681317.db2.gz HEHCPSKDLOGSCS-FCEWJHQRSA-N 2 2 359.474 0.865 10 0 FCAELP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2)C1 ZINC001292293243 1262681322 /nfs/dbraw/zinc/68/13/22/1262681322.db2.gz HEHCPSKDLOGSCS-FCEWJHQRSA-N 2 2 359.474 0.865 10 0 FCAELP O=C(Cc1c[nH]c[nH+]1)NC[C@]12CCC[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001292365335 1262693005 /nfs/dbraw/zinc/69/30/05/1262693005.db2.gz PVFONJIBTZVLLE-YWZLYKJASA-N 2 2 371.485 0.793 10 0 FCAELP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC001295983952 1262787483 /nfs/dbraw/zinc/78/74/83/1262787483.db2.gz BPEUVHGVBMSRCZ-XHSDSOJGSA-N 2 2 374.445 0.079 10 0 FCAELP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC001295983952 1262787487 /nfs/dbraw/zinc/78/74/87/1262787487.db2.gz BPEUVHGVBMSRCZ-XHSDSOJGSA-N 2 2 374.445 0.079 10 0 FCAELP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC001295983952 1262787489 /nfs/dbraw/zinc/78/74/89/1262787489.db2.gz BPEUVHGVBMSRCZ-XHSDSOJGSA-N 2 2 374.445 0.079 10 0 FCAELP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC001295983952 1262787496 /nfs/dbraw/zinc/78/74/96/1262787496.db2.gz BPEUVHGVBMSRCZ-XHSDSOJGSA-N 2 2 374.445 0.079 10 0 FCAELP CC(C)[C@H](CNC(=O)C12CC[NH+](CC1)C2)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001297988504 1262903383 /nfs/dbraw/zinc/90/33/83/1262903383.db2.gz MMPAIMYAANLOAI-KFWWJZLASA-N 2 2 359.474 0.866 10 0 FCAELP CC(C)[C@H](CNC(=O)C12CC[NH+](CC1)C2)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001297988504 1262903385 /nfs/dbraw/zinc/90/33/85/1262903385.db2.gz MMPAIMYAANLOAI-KFWWJZLASA-N 2 2 359.474 0.866 10 0 FCAELP O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1)NCc1ccco1 ZINC001479478559 1263214203 /nfs/dbraw/zinc/21/42/03/1263214203.db2.gz FRCNBVUTHGXCIN-UONOGXRCSA-N 2 2 359.430 0.736 10 0 FCAELP O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1)NCc1cccnc1 ZINC001479481406 1263216429 /nfs/dbraw/zinc/21/64/29/1263216429.db2.gz HHACPZMQEKLTGL-GOEBONIOSA-N 2 2 370.457 0.538 10 0 FCAELP Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2[NH2+]C/C=C/Cl)cn1 ZINC001479503732 1263230669 /nfs/dbraw/zinc/23/06/69/1263230669.db2.gz SITMOKZNOHSCBI-QQRBYAPVSA-N 2 2 367.881 0.387 10 0 FCAELP Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2[NH2+]C/C=C/Cl)cn1 ZINC001479503732 1263230677 /nfs/dbraw/zinc/23/06/77/1263230677.db2.gz SITMOKZNOHSCBI-QQRBYAPVSA-N 2 2 367.881 0.387 10 0 FCAELP C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001479578071 1263262288 /nfs/dbraw/zinc/26/22/88/1263262288.db2.gz CQKOAHUORKQUHZ-ZBFHGGJFSA-N 2 2 370.519 0.614 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1Cc1cnc(C)nc1 ZINC001479643613 1263294020 /nfs/dbraw/zinc/29/40/20/1263294020.db2.gz JRCPCIKTOQSTFA-ZWKOTPCHSA-N 2 2 361.490 0.976 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1Cc1cnc(C)nc1 ZINC001479643613 1263294028 /nfs/dbraw/zinc/29/40/28/1263294028.db2.gz JRCPCIKTOQSTFA-ZWKOTPCHSA-N 2 2 361.490 0.976 10 0 FCAELP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001479672178 1263331716 /nfs/dbraw/zinc/33/17/16/1263331716.db2.gz CEOPXHOTRORYQQ-CABCVRRESA-N 2 2 361.490 0.946 10 0 FCAELP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001479672178 1263331729 /nfs/dbraw/zinc/33/17/29/1263331729.db2.gz CEOPXHOTRORYQQ-CABCVRRESA-N 2 2 361.490 0.946 10 0 FCAELP C[C@@H](CC(=O)N[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)[C@@H]1C)n1cc[nH+]c1 ZINC001479720565 1263388126 /nfs/dbraw/zinc/38/81/26/1263388126.db2.gz DBXFFMSJKPOINO-ZNMIVQPWSA-N 2 2 361.446 0.562 10 0 FCAELP C[C@@H](CC(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)[C@@H]1C)n1cc[nH+]c1 ZINC001479720565 1263388141 /nfs/dbraw/zinc/38/81/41/1263388141.db2.gz DBXFFMSJKPOINO-ZNMIVQPWSA-N 2 2 361.446 0.562 10 0 FCAELP CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001479727349 1263403586 /nfs/dbraw/zinc/40/35/86/1263403586.db2.gz IELTXRISRCIGEI-OAGGEKHMSA-N 2 2 354.495 0.012 10 0 FCAELP CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001479727349 1263403592 /nfs/dbraw/zinc/40/35/92/1263403592.db2.gz IELTXRISRCIGEI-OAGGEKHMSA-N 2 2 354.495 0.012 10 0 FCAELP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC[C@@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1 ZINC001316662394 1263405942 /nfs/dbraw/zinc/40/59/42/1263405942.db2.gz IHGKMFMIVOTSEL-VBQJREDUSA-N 2 2 359.474 0.980 10 0 FCAELP COCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1cnn(C)c1 ZINC001316681064 1263418245 /nfs/dbraw/zinc/41/82/45/1263418245.db2.gz UIOQBLUVOAWDRC-DOTOQJQBSA-N 2 2 360.462 0.615 10 0 FCAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CC1CCS(=O)(=O)CC1 ZINC001480538743 1263433809 /nfs/dbraw/zinc/43/38/09/1263433809.db2.gz PKWGAJUKVHWFEP-BPLDGKMQSA-N 2 2 368.503 0.443 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1Cc1cnc(C)cn1 ZINC001316739571 1263446086 /nfs/dbraw/zinc/44/60/86/1263446086.db2.gz DCAIIZUMFNMPRQ-ZWKOTPCHSA-N 2 2 361.490 0.976 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1Cc1cnc(C)cn1 ZINC001316739571 1263446093 /nfs/dbraw/zinc/44/60/93/1263446093.db2.gz DCAIIZUMFNMPRQ-ZWKOTPCHSA-N 2 2 361.490 0.976 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(CC[NH2+]CC(N)=O)Cc1ccccc1 ZINC001484400338 1263470221 /nfs/dbraw/zinc/47/02/21/1263470221.db2.gz QTCXZTXTSNLFBU-HZPDHXFCSA-N 2 2 355.442 0.627 10 0 FCAELP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001316801965 1263492253 /nfs/dbraw/zinc/49/22/53/1263492253.db2.gz STOIMWYGYOVVAL-KFWWJZLASA-N 2 2 367.494 0.143 10 0 FCAELP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001316801965 1263492257 /nfs/dbraw/zinc/49/22/57/1263492257.db2.gz STOIMWYGYOVVAL-KFWWJZLASA-N 2 2 367.494 0.143 10 0 FCAELP CCCCNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001316801965 1263492262 /nfs/dbraw/zinc/49/22/62/1263492262.db2.gz STOIMWYGYOVVAL-KFWWJZLASA-N 2 2 367.494 0.143 10 0 FCAELP CCCCNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001316801965 1263492266 /nfs/dbraw/zinc/49/22/66/1263492266.db2.gz STOIMWYGYOVVAL-KFWWJZLASA-N 2 2 367.494 0.143 10 0 FCAELP CCn1nncc1C[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC001317027849 1263497987 /nfs/dbraw/zinc/49/79/87/1263497987.db2.gz IWMROKJTQVYKDL-OAGGEKHMSA-N 2 2 357.462 0.820 10 0 FCAELP CCn1ncnc1C[NH2+][C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC001317030891 1263501158 /nfs/dbraw/zinc/50/11/58/1263501158.db2.gz XVZISHVTIXJVRY-RBSFLKMASA-N 2 2 357.462 0.820 10 0 FCAELP C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CC(=O)Nc1cnccn1 ZINC001317396741 1263510748 /nfs/dbraw/zinc/51/07/48/1263510748.db2.gz PLGQVWJCHBJTLW-JHJVBQTASA-N 2 2 357.418 0.426 10 0 FCAELP C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CC(=O)Nc1cnccn1 ZINC001317396741 1263510756 /nfs/dbraw/zinc/51/07/56/1263510756.db2.gz PLGQVWJCHBJTLW-JHJVBQTASA-N 2 2 357.418 0.426 10 0 FCAELP C[C@@H]([NH2+]CCO)C1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001317673724 1263517633 /nfs/dbraw/zinc/51/76/33/1263517633.db2.gz GDUCHEAGLKPNNT-NXHRZFHOSA-N 2 2 369.506 0.075 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc2nc(COC)no2)CC[N@@H+]1C ZINC001485876674 1263519043 /nfs/dbraw/zinc/51/90/43/1263519043.db2.gz JAOBAGWLVRAIHE-MELADBBJSA-N 2 2 353.467 0.883 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc2nc(COC)no2)CC[N@H+]1C ZINC001485876674 1263519051 /nfs/dbraw/zinc/51/90/51/1263519051.db2.gz JAOBAGWLVRAIHE-MELADBBJSA-N 2 2 353.467 0.883 10 0 FCAELP C[NH+](C)CCC(=O)N1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001487386315 1263603181 /nfs/dbraw/zinc/60/31/81/1263603181.db2.gz SLMHIRLDARJNIV-HUUCEWRRSA-N 2 2 359.474 0.916 10 0 FCAELP C[NH+](C)CCC(=O)N1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001487386315 1263603191 /nfs/dbraw/zinc/60/31/91/1263603191.db2.gz SLMHIRLDARJNIV-HUUCEWRRSA-N 2 2 359.474 0.916 10 0 FCAELP CCN(CCCNC(=O)C12CC[NH+](CC1)C2)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001492979139 1263690152 /nfs/dbraw/zinc/69/01/52/1263690152.db2.gz CTPWDRYMYHVVHG-HUUCEWRRSA-N 2 2 359.474 0.964 10 0 FCAELP CCN(CCCNC(=O)C12CC[NH+](CC1)C2)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001492979139 1263690157 /nfs/dbraw/zinc/69/01/57/1263690157.db2.gz CTPWDRYMYHVVHG-HUUCEWRRSA-N 2 2 359.474 0.964 10 0 FCAELP CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CCn1nc(C)nc1C ZINC001493023934 1263693510 /nfs/dbraw/zinc/69/35/10/1263693510.db2.gz YJWGMPDWMFBONU-HZPDHXFCSA-N 2 2 359.478 0.870 10 0 FCAELP CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CCn1nc(C)nc1C ZINC001493023934 1263693517 /nfs/dbraw/zinc/69/35/17/1263693517.db2.gz YJWGMPDWMFBONU-HZPDHXFCSA-N 2 2 359.478 0.870 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1([NH2+][C@@H]2CCCNC2=O)CCCC1 ZINC001495944787 1263846430 /nfs/dbraw/zinc/84/64/30/1263846430.db2.gz XHVDRTFNOJRBPL-RBSFLKMASA-N 2 2 359.474 0.821 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)CC(=O)NC2CCOCC2)CC[N@@H+]1C ZINC001496707259 1263887155 /nfs/dbraw/zinc/88/71/55/1263887155.db2.gz NJYYRRQPKNVOGX-DLBZAZTESA-N 2 2 368.522 0.402 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)CC(=O)NC2CCOCC2)CC[N@H+]1C ZINC001496707259 1263887162 /nfs/dbraw/zinc/88/71/62/1263887162.db2.gz NJYYRRQPKNVOGX-DLBZAZTESA-N 2 2 368.522 0.402 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)CC[N@H+](C)CC(=O)NC2CCOCC2)CC[NH+]1C ZINC001496707259 1263887167 /nfs/dbraw/zinc/88/71/67/1263887167.db2.gz NJYYRRQPKNVOGX-DLBZAZTESA-N 2 2 368.522 0.402 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)CC[N@@H+](C)CC(=O)NC2CCOCC2)CC[NH+]1C ZINC001496707259 1263887172 /nfs/dbraw/zinc/88/71/72/1263887172.db2.gz NJYYRRQPKNVOGX-DLBZAZTESA-N 2 2 368.522 0.402 10 0 FCAELP COc1nccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)n1 ZINC001499351493 1264025490 /nfs/dbraw/zinc/02/54/90/1264025490.db2.gz JRQNDOHAJGKYNA-ZIAGYGMSSA-N 2 2 356.430 0.761 10 0 FCAELP C[C@@H](C[NH2+]CC1CCOCC1)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001321930301 1264102111 /nfs/dbraw/zinc/10/21/11/1264102111.db2.gz VVKGTADJGVKTAN-JQHSSLGASA-N 2 2 369.506 0.387 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC/C=C/CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC[N@@H+]1C ZINC001501877173 1264148722 /nfs/dbraw/zinc/14/87/22/1264148722.db2.gz HMVWKQJLBXJFIF-FSPKCKTGSA-N 2 2 359.474 0.574 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC/C=C/CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC[N@H+]1C ZINC001501877173 1264148726 /nfs/dbraw/zinc/14/87/26/1264148726.db2.gz HMVWKQJLBXJFIF-FSPKCKTGSA-N 2 2 359.474 0.574 10 0 FCAELP CCN(C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001502137855 1264162776 /nfs/dbraw/zinc/16/27/76/1264162776.db2.gz MDWNAEUWJDZSFZ-ARFHVFGLSA-N 2 2 361.490 0.973 10 0 FCAELP CCN(C)C(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001502137855 1264162778 /nfs/dbraw/zinc/16/27/78/1264162778.db2.gz MDWNAEUWJDZSFZ-ARFHVFGLSA-N 2 2 361.490 0.973 10 0 FCAELP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc2nc(C(C)(C)C)no2)CC[N@@H+]1C ZINC001507478059 1264362692 /nfs/dbraw/zinc/36/26/92/1264362692.db2.gz DTOGTFIPHFDOPF-HZSPNIEDSA-N 2 2 367.494 0.616 10 0 FCAELP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc2nc(C(C)(C)C)no2)CC[N@H+]1C ZINC001507478059 1264362701 /nfs/dbraw/zinc/36/27/01/1264362701.db2.gz DTOGTFIPHFDOPF-HZSPNIEDSA-N 2 2 367.494 0.616 10 0 FCAELP Cc1noc(C)c1C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001507504907 1264366717 /nfs/dbraw/zinc/36/67/17/1264366717.db2.gz GMQFNOCRKPFJAR-RBSFLKMASA-N 2 2 361.446 0.738 10 0 FCAELP O=C(NC1(C2CC[NH+](CCOCCO)CC2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001508164398 1264399686 /nfs/dbraw/zinc/39/96/86/1264399686.db2.gz FRHNTZJEJWXNKW-HZPDHXFCSA-N 2 2 362.474 0.883 10 0 FCAELP O=C(NC1(C2CC[NH+](CCOCCO)CC2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001508164398 1264399693 /nfs/dbraw/zinc/39/96/93/1264399693.db2.gz FRHNTZJEJWXNKW-HZPDHXFCSA-N 2 2 362.474 0.883 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N2CC([C@H](C)NC(=O)Cc3[nH]c[nH+]c3C)C2)CC[N@@H+]1C ZINC001509478331 1264456473 /nfs/dbraw/zinc/45/64/73/1264456473.db2.gz TZWASCZUJPJUAN-YLQAJVPDSA-N 2 2 361.490 0.954 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N2CC([C@H](C)NC(=O)Cc3[nH]c[nH+]c3C)C2)CC[N@H+]1C ZINC001509478331 1264456476 /nfs/dbraw/zinc/45/64/76/1264456476.db2.gz TZWASCZUJPJUAN-YLQAJVPDSA-N 2 2 361.490 0.954 10 0 FCAELP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001513305994 1265025623 /nfs/dbraw/zinc/02/56/23/1265025623.db2.gz PCKIKLLYRREKHH-BZUAXINKSA-N 2 2 361.490 0.750 10 0 FCAELP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001513305994 1265025635 /nfs/dbraw/zinc/02/56/35/1265025635.db2.gz PCKIKLLYRREKHH-BZUAXINKSA-N 2 2 361.490 0.750 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCC3CCC(F)CC3)C2)CC1 ZINC001326410210 1265109061 /nfs/dbraw/zinc/10/90/61/1265109061.db2.gz OMCUNCNYFBOOAK-UYSNPLJNSA-N 2 2 368.497 0.916 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCC3CCC(F)CC3)C2)CC1 ZINC001326410210 1265109065 /nfs/dbraw/zinc/10/90/65/1265109065.db2.gz OMCUNCNYFBOOAK-UYSNPLJNSA-N 2 2 368.497 0.916 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@]4(CC4(F)F)C3)C2)CC1 ZINC001326644067 1265148196 /nfs/dbraw/zinc/14/81/96/1265148196.db2.gz DEQGUUKFWPKVLK-DYVFJYSZSA-N 2 2 370.444 0.529 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@]4(CC4(F)F)C3)C2)CC1 ZINC001326644067 1265148198 /nfs/dbraw/zinc/14/81/98/1265148198.db2.gz DEQGUUKFWPKVLK-DYVFJYSZSA-N 2 2 370.444 0.529 10 0 FCAELP C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)CCC1 ZINC001514317270 1265338670 /nfs/dbraw/zinc/33/86/70/1265338670.db2.gz FYXRXJDNTWSBFV-OAGGEKHMSA-N 2 2 366.506 0.345 10 0 FCAELP C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCC1 ZINC001514317270 1265338682 /nfs/dbraw/zinc/33/86/82/1265338682.db2.gz FYXRXJDNTWSBFV-OAGGEKHMSA-N 2 2 366.506 0.345 10 0 FCAELP CNC(=O)NC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)(C)C ZINC001332805122 1266481469 /nfs/dbraw/zinc/48/14/69/1266481469.db2.gz DYXMXADREGASHE-WZRBSPASSA-N 2 2 364.450 0.089 10 0 FCAELP C[C@@H]1[C@H](C(=O)N2CCC[C@H](NC(=O)CCc3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC001523314447 1266621727 /nfs/dbraw/zinc/62/17/27/1266621727.db2.gz ZPIIJLUXEMXDFN-HLLBOEOZSA-N 2 2 361.490 0.800 10 0 FCAELP C[C@@H]1[C@H](C(=O)N2CCC[C@H](NC(=O)CCc3c[nH+]cn3C)C2)CC[N@H+]1C ZINC001523314447 1266621734 /nfs/dbraw/zinc/62/17/34/1266621734.db2.gz ZPIIJLUXEMXDFN-HLLBOEOZSA-N 2 2 361.490 0.800 10 0 FCAELP COCCOCC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@@H+]3C2)CC1 ZINC001528581502 1266981569 /nfs/dbraw/zinc/98/15/69/1266981569.db2.gz IDBFPVABJXZLBM-RCCFBDPRSA-N 2 2 353.507 0.914 10 0 FCAELP COCCOCC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@H+]3C2)CC1 ZINC001528581502 1266981578 /nfs/dbraw/zinc/98/15/78/1266981578.db2.gz IDBFPVABJXZLBM-RCCFBDPRSA-N 2 2 353.507 0.914 10 0 FCAELP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001342514363 1269499445 /nfs/dbraw/zinc/49/94/45/1269499445.db2.gz XLYBUPVNVNNZCJ-GDBMZVCRSA-N 2 2 361.490 0.658 10 0 FCAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCCO)C1 ZINC001565927259 1269523129 /nfs/dbraw/zinc/52/31/29/1269523129.db2.gz SNUPJSJVWYIERU-XOKHGSTOSA-N 2 2 360.462 0.288 10 0 FCAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCCO)C1 ZINC001565927259 1269523139 /nfs/dbraw/zinc/52/31/39/1269523139.db2.gz SNUPJSJVWYIERU-XOKHGSTOSA-N 2 2 360.462 0.288 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCOCCO)C1 ZINC001566075043 1269592822 /nfs/dbraw/zinc/59/28/22/1269592822.db2.gz PEOUMZSRSAMYCE-BRWVUGGUSA-N 2 2 364.490 0.893 10 0 FCAELP CC(C)N(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001566094559 1269598442 /nfs/dbraw/zinc/59/84/42/1269598442.db2.gz NOZJIAACBHNNPC-VYDXJSESSA-N 2 2 361.490 0.891 10 0 FCAELP CC(C)N(C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001566094559 1269598446 /nfs/dbraw/zinc/59/84/46/1269598446.db2.gz NOZJIAACBHNNPC-VYDXJSESSA-N 2 2 361.490 0.891 10 0 FCAELP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC[C@H]2CCS(=O)(=O)C2)[C@@H]1C ZINC001566111124 1269611986 /nfs/dbraw/zinc/61/19/86/1269611986.db2.gz QNUYLJZNTFHLTN-PMPSAXMXSA-N 2 2 359.536 0.732 10 0 FCAELP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC[C@H]2CCS(=O)(=O)C2)[C@@H]1C ZINC001566111124 1269611995 /nfs/dbraw/zinc/61/19/95/1269611995.db2.gz QNUYLJZNTFHLTN-PMPSAXMXSA-N 2 2 359.536 0.732 10 0 FCAELP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC[C@H]2CCS(=O)(=O)C2)[C@@H]1C ZINC001566111124 1269611999 /nfs/dbraw/zinc/61/19/99/1269611999.db2.gz QNUYLJZNTFHLTN-PMPSAXMXSA-N 2 2 359.536 0.732 10 0 FCAELP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC[C@H]2CCS(=O)(=O)C2)[C@@H]1C ZINC001566111124 1269612002 /nfs/dbraw/zinc/61/20/02/1269612002.db2.gz QNUYLJZNTFHLTN-PMPSAXMXSA-N 2 2 359.536 0.732 10 0 FCAELP Cn1nnnc1C[NH2+]C/C=C/CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001568923285 1269755661 /nfs/dbraw/zinc/75/56/61/1269755661.db2.gz NQOQSYGKSYLMSW-NGHLMZTLSA-N 2 2 369.473 0.318 10 0 FCAELP Cn1nnnc1C[NH2+]C/C=C/CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001568923285 1269755666 /nfs/dbraw/zinc/75/56/66/1269755666.db2.gz NQOQSYGKSYLMSW-NGHLMZTLSA-N 2 2 369.473 0.318 10 0 FCAELP C[NH+]1CCN(Cc2ccc(C(=O)NCC[NH+]3CCC(O)CC3)s2)CC1 ZINC001569182276 1269768731 /nfs/dbraw/zinc/76/87/31/1269768731.db2.gz VQACZKLJPHGTDG-UHFFFAOYSA-N 2 2 366.531 0.682 10 0 FCAELP CN1CC[C@@H]([NH+]2CCC(C)(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1=O ZINC001569700646 1269798660 /nfs/dbraw/zinc/79/86/60/1269798660.db2.gz IKAAISRMMXWZMX-IIAWOOMASA-N 2 2 359.474 0.962 10 0 FCAELP CCn1ncnc1C[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001570283329 1269861446 /nfs/dbraw/zinc/86/14/46/1269861446.db2.gz NSECHUMMDSPNEP-IIDMSEBBSA-N 2 2 364.494 0.081 10 0 FCAELP CCn1ncnc1C[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001570283329 1269861458 /nfs/dbraw/zinc/86/14/58/1269861458.db2.gz NSECHUMMDSPNEP-IIDMSEBBSA-N 2 2 364.494 0.081 10 0 FCAELP 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C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001684804459 1292338936 /nfs/dbraw/zinc/33/89/36/1292338936.db2.gz AGDMBGYJOITJQX-MSOLQXFVSA-N 3 2 370.586 0.536 10 0 FCAELP C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@@H]1CN(C)CC[N@H+]1C ZINC001684804459 1292338943 /nfs/dbraw/zinc/33/89/43/1292338943.db2.gz AGDMBGYJOITJQX-MSOLQXFVSA-N 3 2 370.586 0.536 10 0 FCAELP CCC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)[C@@H]1CC ZINC001684969827 1292387283 /nfs/dbraw/zinc/38/72/83/1292387283.db2.gz UDKMXJSQNMSJOS-GVDBMIGSSA-N 2 2 368.522 0.545 10 0 FCAELP CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)[C@@H]1CC ZINC001684969827 1292387292 /nfs/dbraw/zinc/38/72/92/1292387292.db2.gz UDKMXJSQNMSJOS-GVDBMIGSSA-N 2 2 368.522 0.545 10 0 FCAELP CCC[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@@H]1CC ZINC001684969827 1292387300 /nfs/dbraw/zinc/38/73/00/1292387300.db2.gz UDKMXJSQNMSJOS-GVDBMIGSSA-N 2 2 368.522 0.545 10 0 FCAELP CCC[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H]1CC ZINC001684969827 1292387311 /nfs/dbraw/zinc/38/73/11/1292387311.db2.gz UDKMXJSQNMSJOS-GVDBMIGSSA-N 2 2 368.522 0.545 10 0 FCAELP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001685874432 1292671011 /nfs/dbraw/zinc/67/10/11/1292671011.db2.gz BALXCQZFHBOFTI-BMFZPTHFSA-N 2 2 361.490 0.813 10 0 FCAELP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001685874432 1292671022 /nfs/dbraw/zinc/67/10/22/1292671022.db2.gz BALXCQZFHBOFTI-BMFZPTHFSA-N 2 2 361.490 0.813 10 0 FCAELP CC[NH+](CC)C[C@H](F)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C2 ZINC001686106707 1292770155 /nfs/dbraw/zinc/77/01/55/1292770155.db2.gz JWPVLZANUCFXAG-UGUYLWEFSA-N 2 2 365.453 0.880 10 0 FCAELP CCOC(=O)COCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001686509662 1292935097 /nfs/dbraw/zinc/93/50/97/1292935097.db2.gz WDEHRYKWCJALBN-INIZCTEOSA-N 2 2 370.494 0.376 10 0 FCAELP CCOC(=O)COCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001686509662 1292935110 /nfs/dbraw/zinc/93/51/10/1292935110.db2.gz WDEHRYKWCJALBN-INIZCTEOSA-N 2 2 370.494 0.376 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]Cc2nc(N(C)C)no2)C2CC2)CC[N@@H+]1C ZINC001276588507 861482317 /nfs/dbraw/zinc/48/23/17/861482317.db2.gz INOJPEXXIXFCLG-BNOWGMLFSA-N 2 2 350.467 0.460 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]Cc2nc(N(C)C)no2)C2CC2)CC[N@H+]1C ZINC001276588507 861482322 /nfs/dbraw/zinc/48/23/22/861482322.db2.gz INOJPEXXIXFCLG-BNOWGMLFSA-N 2 2 350.467 0.460 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)n1 ZINC001119798410 847983047 /nfs/dbraw/zinc/98/30/47/847983047.db2.gz CTPNTKBSPNGYSN-KGLIPLIRSA-N 2 2 367.519 0.810 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[NH+](Cc3nccs3)C2)CC[N@@H+]1C ZINC001278781231 862474194 /nfs/dbraw/zinc/47/41/94/862474194.db2.gz GBVKDDYLTFFWIO-JJRVBVJISA-N 2 2 352.504 0.926 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[NH+](Cc3nccs3)C2)CC[N@H+]1C ZINC001278781231 862474207 /nfs/dbraw/zinc/47/42/07/862474207.db2.gz GBVKDDYLTFFWIO-JJRVBVJISA-N 2 2 352.504 0.926 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[N@H+](Cc3nccs3)C2)CC[NH+]1C ZINC001278781231 862474213 /nfs/dbraw/zinc/47/42/13/862474213.db2.gz GBVKDDYLTFFWIO-JJRVBVJISA-N 2 2 352.504 0.926 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](Cc3nccs3)C2)CC[NH+]1C ZINC001278781231 862474223 /nfs/dbraw/zinc/47/42/23/862474223.db2.gz GBVKDDYLTFFWIO-JJRVBVJISA-N 2 2 352.504 0.926 10 0 FCAELP C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C[NH2+]CCOCC2CC2)C1 ZINC001263984274 859267658 /nfs/dbraw/zinc/26/76/58/859267658.db2.gz QKWZUWNJVBLJKH-NJAFHUGGSA-N 2 2 353.507 0.960 10 0 FCAELP C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C[NH2+]CCOCC2CC2)C1 ZINC001263984274 859267670 /nfs/dbraw/zinc/26/76/70/859267670.db2.gz QKWZUWNJVBLJKH-NJAFHUGGSA-N 2 2 353.507 0.960 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CC(=O)NCC1CC1 ZINC001264155433 859332030 /nfs/dbraw/zinc/33/20/30/859332030.db2.gz UOKZYCSUUHLMPN-ZBFHGGJFSA-N 2 2 350.507 0.966 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CC(=O)NCC1CC1 ZINC001264155433 859332038 /nfs/dbraw/zinc/33/20/38/859332038.db2.gz UOKZYCSUUHLMPN-ZBFHGGJFSA-N 2 2 350.507 0.966 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)NCc1cccs1 ZINC001264173138 859342316 /nfs/dbraw/zinc/34/23/16/859342316.db2.gz YPSSFJOKULNTIY-YCPHGPKFSA-N 2 2 364.515 0.895 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)NCc1cccs1 ZINC001264173138 859342323 /nfs/dbraw/zinc/34/23/23/859342323.db2.gz YPSSFJOKULNTIY-YCPHGPKFSA-N 2 2 364.515 0.895 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)NCc1cccs1 ZINC001264173138 859342329 /nfs/dbraw/zinc/34/23/29/859342329.db2.gz YPSSFJOKULNTIY-YCPHGPKFSA-N 2 2 364.515 0.895 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)NCc1cccs1 ZINC001264173138 859342335 /nfs/dbraw/zinc/34/23/35/859342335.db2.gz YPSSFJOKULNTIY-YCPHGPKFSA-N 2 2 364.515 0.895 10 0 FCAELP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1c1ccccc1 ZINC001264446529 859353553 /nfs/dbraw/zinc/35/35/53/859353553.db2.gz BIUCXAQCGRZMNN-DLBZAZTESA-N 2 2 367.515 0.567 10 0 FCAELP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1c1ccccc1 ZINC001264446529 859353563 /nfs/dbraw/zinc/35/35/63/859353563.db2.gz BIUCXAQCGRZMNN-DLBZAZTESA-N 2 2 367.515 0.567 10 0 FCAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[C@@H]([NH2+]C[C@H](C)CS(C)(=O)=O)C1 ZINC001264488231 859365170 /nfs/dbraw/zinc/36/51/70/859365170.db2.gz HFCIWCQUNXSHOR-AEGPPILISA-N 2 2 370.519 0.816 10 0 FCAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[C@@H]([NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001264494259 859367678 /nfs/dbraw/zinc/36/76/78/859367678.db2.gz RKJBGMWORVFFAE-JKSUJKDBSA-N 2 2 368.503 0.582 10 0 FCAELP CCO[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C[NH2+]CCOC ZINC001264529574 859374609 /nfs/dbraw/zinc/37/46/09/859374609.db2.gz JGUPJSUBZRLHOT-BFYDXBDKSA-N 2 2 350.463 0.545 10 0 FCAELP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CC[C@@H]1CCCO1 ZINC001264538915 859378298 /nfs/dbraw/zinc/37/82/98/859378298.db2.gz OZMSWFIZBCSXDO-IXDOHACOSA-N 2 2 350.463 0.905 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC2C[NH+](CCCNC(=O)C(F)(F)F)C2)CC[N@@H+]1C ZINC001267646543 859512114 /nfs/dbraw/zinc/51/21/14/859512114.db2.gz DZJPUMYOHKUVPN-ZYHUDNBSSA-N 2 2 350.385 0.196 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC2C[NH+](CCCNC(=O)C(F)(F)F)C2)CC[N@H+]1C ZINC001267646543 859512119 /nfs/dbraw/zinc/51/21/19/859512119.db2.gz DZJPUMYOHKUVPN-ZYHUDNBSSA-N 2 2 350.385 0.196 10 0 FCAELP CCc1nnc([C@@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)o1 ZINC001272169678 860105802 /nfs/dbraw/zinc/10/58/02/860105802.db2.gz USJNBPBVQPRMBE-MGPQQGTHSA-N 2 2 353.467 0.444 10 0 FCAELP CCc1nnc([C@@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)o1 ZINC001272169678 860105808 /nfs/dbraw/zinc/10/58/08/860105808.db2.gz USJNBPBVQPRMBE-MGPQQGTHSA-N 2 2 353.467 0.444 10 0 FCAELP CC(C)c1nsc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001283760662 864517664 /nfs/dbraw/zinc/51/76/64/864517664.db2.gz XNUABVRTZDPZLK-JHJVBQTASA-N 2 2 355.508 0.568 10 0 FCAELP CC(C)c1nsc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001283760662 864517671 /nfs/dbraw/zinc/51/76/71/864517671.db2.gz XNUABVRTZDPZLK-JHJVBQTASA-N 2 2 355.508 0.568 10 0 FCAELP Cc1ncsc1CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001284425867 864562378 /nfs/dbraw/zinc/56/23/78/864562378.db2.gz WMZBHRXNUGOTBE-MGPQQGTHSA-N 2 2 363.487 0.930 10 0 FCAELP Cc1ncsc1CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001284425867 864562387 /nfs/dbraw/zinc/56/23/87/864562387.db2.gz WMZBHRXNUGOTBE-MGPQQGTHSA-N 2 2 363.487 0.930 10 0 FCAELP Cc1cc(C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)nn1C ZINC001284493754 864568384 /nfs/dbraw/zinc/56/83/84/864568384.db2.gz VQWSIZJKVCCFRR-HYVNUMGLSA-N 2 2 351.495 0.320 10 0 FCAELP Cc1cc(C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)nn1C ZINC001284493754 864568396 /nfs/dbraw/zinc/56/83/96/864568396.db2.gz VQWSIZJKVCCFRR-HYVNUMGLSA-N 2 2 351.495 0.320 10 0 FCAELP Cc1cc(C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)nn1C ZINC001284493754 864568403 /nfs/dbraw/zinc/56/84/03/864568403.db2.gz VQWSIZJKVCCFRR-HYVNUMGLSA-N 2 2 351.495 0.320 10 0 FCAELP Cc1cc(C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)nn1C ZINC001284493754 864568412 /nfs/dbraw/zinc/56/84/12/864568412.db2.gz VQWSIZJKVCCFRR-HYVNUMGLSA-N 2 2 351.495 0.320 10 0 FCAELP Cc1nonc1C[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001316661070 867381561 /nfs/dbraw/zinc/38/15/61/867381561.db2.gz GKSMANUGVFDQCH-LSDHHAIUSA-N 2 2 351.451 0.475 10 0 FCAELP O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1)Nc1nccs1 ZINC001316662474 867383293 /nfs/dbraw/zinc/38/32/93/867383293.db2.gz KWBMLSSZJSZHLQ-NWDGAFQWSA-N 2 2 362.459 0.922 10 0 FCAELP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]1C ZINC001316795830 867495658 /nfs/dbraw/zinc/49/56/58/867495658.db2.gz AGFQNMRVGZAPIT-HZSPNIEDSA-N 2 2 355.483 0.141 10 0 FCAELP CCCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]1C ZINC001316795830 867495662 /nfs/dbraw/zinc/49/56/62/867495662.db2.gz AGFQNMRVGZAPIT-HZSPNIEDSA-N 2 2 355.483 0.141 10 0 FCAELP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001317118082 867522381 /nfs/dbraw/zinc/52/23/81/867522381.db2.gz ZZJBYSXTEDYAHH-UUAJXVIYSA-N 2 2 357.470 0.851 10 0 FCAELP O=S1(=O)CCCN1C1CC[NH+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC001353944366 867523446 /nfs/dbraw/zinc/52/34/46/867523446.db2.gz UCNPDZMNGUBENB-OAHLLOKOSA-N 2 2 368.507 0.203 10 0 FCAELP 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353.492 0.374 10 0 FCAELP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000419407181 246138606 /nfs/dbraw/zinc/13/86/06/246138606.db2.gz JUSIAYSWUOYXIQ-HZPDHXFCSA-N 2 2 355.527 0.109 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000419407181 246138610 /nfs/dbraw/zinc/13/86/10/246138610.db2.gz JUSIAYSWUOYXIQ-HZPDHXFCSA-N 2 2 355.527 0.109 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@@H](C)C[NH2+]1 ZINC000419646411 246228238 /nfs/dbraw/zinc/22/82/38/246228238.db2.gz QQSYDAXHQIAGMV-CABCVRRESA-N 2 2 355.442 0.756 10 0 FCAELP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000419649901 246230005 /nfs/dbraw/zinc/23/00/05/246230005.db2.gz NMWZMLVHJAQVST-HOCLYGCPSA-N 2 2 359.474 0.800 10 0 FCAELP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000419682714 246248975 /nfs/dbraw/zinc/24/89/75/246248975.db2.gz KAFIQZKGEGRKCV-XKQJLSEDSA-N 2 2 373.432 0.870 10 0 FCAELP C[C@H]([C@H](C)NC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1)[NH+]1CCOCC1 ZINC000419688331 246251512 /nfs/dbraw/zinc/25/15/12/246251512.db2.gz RFAWAYXRUKDGKR-SOUVJXGZSA-N 2 2 362.474 0.548 10 0 FCAELP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000419713154 246264821 /nfs/dbraw/zinc/26/48/21/246264821.db2.gz QNPNOZCBRKLSTM-GFCCVEGCSA-N 2 2 352.866 0.620 10 0 FCAELP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000419713154 246264829 /nfs/dbraw/zinc/26/48/29/246264829.db2.gz QNPNOZCBRKLSTM-GFCCVEGCSA-N 2 2 352.866 0.620 10 0 FCAELP C[C@@H](CC[NH3+])NC(=O)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000419716291 246267480 /nfs/dbraw/zinc/26/74/80/246267480.db2.gz XTYDQZIRLUAAQF-LBPRGKRZSA-N 2 2 352.866 0.668 10 0 FCAELP C[C@@H](CC[NH3+])NC(=O)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000419716291 246267483 /nfs/dbraw/zinc/26/74/83/246267483.db2.gz XTYDQZIRLUAAQF-LBPRGKRZSA-N 2 2 352.866 0.668 10 0 FCAELP [NH3+]CCCNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000419830715 246310706 /nfs/dbraw/zinc/31/07/06/246310706.db2.gz GOSHHRSDLVTDLL-UHFFFAOYSA-N 2 2 352.866 0.839 10 0 FCAELP [NH3+]CCCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000419830715 246310712 /nfs/dbraw/zinc/31/07/12/246310712.db2.gz GOSHHRSDLVTDLL-UHFFFAOYSA-N 2 2 352.866 0.839 10 0 FCAELP [NH3+][C@@H](CNC(=O)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000419875149 246341607 /nfs/dbraw/zinc/34/16/07/246341607.db2.gz WJBWZZNWZNCEOI-ZBFHGGJFSA-N 2 2 359.474 0.779 10 0 FCAELP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000419895342 246356269 /nfs/dbraw/zinc/35/62/69/246356269.db2.gz SFMQMHVJHIBTAL-HUUCEWRRSA-N 2 2 359.474 0.794 10 0 FCAELP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000420108360 246471239 /nfs/dbraw/zinc/47/12/39/246471239.db2.gz CDXWZYLLQANHDZ-VYDXJSESSA-N 2 2 359.474 0.401 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000420115020 246476122 /nfs/dbraw/zinc/47/61/22/246476122.db2.gz ZMZKCXKJGHQZRW-IBGZPJMESA-N 2 2 359.474 0.545 10 0 FCAELP C[NH2+]CC1CCN(C(=O)C(=O)N2CCN(c3c[nH+]ccc3C)CC2)CC1 ZINC000423478648 247035735 /nfs/dbraw/zinc/03/57/35/247035735.db2.gz NMASULZLOFPDIB-UHFFFAOYSA-N 2 2 359.474 0.497 10 0 FCAELP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000423646426 247090855 /nfs/dbraw/zinc/09/08/55/247090855.db2.gz PMZYMGRCSARWAA-KRWDZBQOSA-N 2 2 370.457 0.608 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC[N@H+]1CCO ZINC000446180051 248384160 /nfs/dbraw/zinc/38/41/60/248384160.db2.gz RTPJPJOPHOTJOI-OAHLLOKOSA-N 2 2 362.474 0.254 10 0 FCAELP NC(=O)N[C@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000270663103 211242208 /nfs/dbraw/zinc/24/22/08/211242208.db2.gz QUYBCJGDLHWFFX-KRWDZBQOSA-N 2 2 359.474 0.641 10 0 FCAELP NC(=O)N[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000270663103 211242215 /nfs/dbraw/zinc/24/22/15/211242215.db2.gz QUYBCJGDLHWFFX-KRWDZBQOSA-N 2 2 359.474 0.641 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H]2C(=O)NC2CC2)C1 ZINC000054986150 208003729 /nfs/dbraw/zinc/00/37/29/208003729.db2.gz MWHBHVDRIYNJSB-IAGOWNOFSA-N 2 2 366.506 0.202 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H]2C(=O)NC2CC2)C1 ZINC000054986150 208003736 /nfs/dbraw/zinc/00/37/36/208003736.db2.gz MWHBHVDRIYNJSB-IAGOWNOFSA-N 2 2 366.506 0.202 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)C1 ZINC000054986150 208003739 /nfs/dbraw/zinc/00/37/39/208003739.db2.gz MWHBHVDRIYNJSB-IAGOWNOFSA-N 2 2 366.506 0.202 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)C1 ZINC000054986150 208003745 /nfs/dbraw/zinc/00/37/45/208003745.db2.gz MWHBHVDRIYNJSB-IAGOWNOFSA-N 2 2 366.506 0.202 10 0 FCAELP COCC[N@H+](C)CCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000074064950 208052247 /nfs/dbraw/zinc/05/22/47/208052247.db2.gz SKHXRGYCWFVTRR-UHFFFAOYSA-N 3 2 369.554 0.814 10 0 FCAELP COCC[N@@H+](C)CCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000074064950 208052249 /nfs/dbraw/zinc/05/22/49/208052249.db2.gz SKHXRGYCWFVTRR-UHFFFAOYSA-N 3 2 369.554 0.814 10 0 FCAELP COC[C@](C)(CCO)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000085903692 208113696 /nfs/dbraw/zinc/11/36/96/208113696.db2.gz QGOHTIZTJFNZDC-SFHVURJKSA-N 2 2 350.463 0.497 10 0 FCAELP CCC(=O)N1CSC[C@@H]1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000102753096 208170340 /nfs/dbraw/zinc/17/03/40/208170340.db2.gz NTIVDGQDKBIAGR-MRXNPFEDSA-N 2 2 368.547 0.973 10 0 FCAELP C[C@@H]1C[N@@H+](CC2CCN(C(=O)NC[C@@H]3C[NH+](C)CCO3)CC2)C[C@H](C)O1 ZINC000104798053 208188012 /nfs/dbraw/zinc/18/80/12/208188012.db2.gz HPQWMVWCEDGMFL-SOLBZPMBSA-N 2 2 368.522 0.848 10 0 FCAELP C[C@@H]1C[N@H+](CC2CCN(C(=O)NC[C@@H]3C[NH+](C)CCO3)CC2)C[C@H](C)O1 ZINC000104798053 208188020 /nfs/dbraw/zinc/18/80/20/208188020.db2.gz HPQWMVWCEDGMFL-SOLBZPMBSA-N 2 2 368.522 0.848 10 0 FCAELP C[C@@H]1C[NH+](CC2CCN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)CC2)C[C@H](C)O1 ZINC000104798053 208188024 /nfs/dbraw/zinc/18/80/24/208188024.db2.gz HPQWMVWCEDGMFL-SOLBZPMBSA-N 2 2 368.522 0.848 10 0 FCAELP C[C@@H]1C[NH+](CC2CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)CC2)C[C@H](C)O1 ZINC000104798053 208188030 /nfs/dbraw/zinc/18/80/30/208188030.db2.gz HPQWMVWCEDGMFL-SOLBZPMBSA-N 2 2 368.522 0.848 10 0 FCAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CC(=O)NCC3CCC3)CC2)C1 ZINC000108867527 208250128 /nfs/dbraw/zinc/25/01/28/208250128.db2.gz YWZODAZPULIQGZ-SFHVURJKSA-N 2 2 352.523 0.630 10 0 FCAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CC(=O)NCC3CCC3)CC2)C1 ZINC000108867527 208250134 /nfs/dbraw/zinc/25/01/34/208250134.db2.gz YWZODAZPULIQGZ-SFHVURJKSA-N 2 2 352.523 0.630 10 0 FCAELP C[C@@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000111587888 208282958 /nfs/dbraw/zinc/28/29/58/208282958.db2.gz PVSMWQFTCZIRLL-MAUKXSAKSA-N 2 2 364.465 0.783 10 0 FCAELP C[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000111587888 208282966 /nfs/dbraw/zinc/28/29/66/208282966.db2.gz PVSMWQFTCZIRLL-MAUKXSAKSA-N 2 2 364.465 0.783 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C2(C(N)=O)CCCC2)C1 ZINC000120174861 208376568 /nfs/dbraw/zinc/37/65/68/208376568.db2.gz OWCLRLUAKRMQFE-HNNXBMFYSA-N 2 2 354.495 0.189 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C2(C(N)=O)CCCC2)C1 ZINC000120174861 208376575 /nfs/dbraw/zinc/37/65/75/208376575.db2.gz OWCLRLUAKRMQFE-HNNXBMFYSA-N 2 2 354.495 0.189 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)C2(C(N)=O)CCCC2)C1 ZINC000120174861 208376578 /nfs/dbraw/zinc/37/65/78/208376578.db2.gz OWCLRLUAKRMQFE-HNNXBMFYSA-N 2 2 354.495 0.189 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)C2(C(N)=O)CCCC2)C1 ZINC000120174861 208376584 /nfs/dbraw/zinc/37/65/84/208376584.db2.gz OWCLRLUAKRMQFE-HNNXBMFYSA-N 2 2 354.495 0.189 10 0 FCAELP CC(C)[N@H+]1CCO[C@@H](CN2CCN([C@@H](C)C[NH+]3CCOCC3)CC2)C1 ZINC000180614285 209097631 /nfs/dbraw/zinc/09/76/31/209097631.db2.gz QOJADGYWRFIBEI-OALUTQOASA-N 2 2 354.539 0.434 10 0 FCAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@@H](C)CN3CCOCC3)CC2)C1 ZINC000180614285 209097616 /nfs/dbraw/zinc/09/76/16/209097616.db2.gz QOJADGYWRFIBEI-OALUTQOASA-N 2 2 354.539 0.434 10 0 FCAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@@H](C)CN3CCOCC3)CC2)C1 ZINC000180614285 209097625 /nfs/dbraw/zinc/09/76/25/209097625.db2.gz QOJADGYWRFIBEI-OALUTQOASA-N 2 2 354.539 0.434 10 0 FCAELP CC(C)[N@@H+]1CCO[C@@H](CN2CCN([C@@H](C)C[NH+]3CCOCC3)CC2)C1 ZINC000180614285 209097628 /nfs/dbraw/zinc/09/76/28/209097628.db2.gz QOJADGYWRFIBEI-OALUTQOASA-N 2 2 354.539 0.434 10 0 FCAELP C[C@@H]1CN(C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@H]1[NH+]1CCOCC1 ZINC000177875680 209037909 /nfs/dbraw/zinc/03/79/09/209037909.db2.gz FPWAUNMAPAHJLD-HUUCEWRRSA-N 2 2 350.467 0.629 10 0 FCAELP O=C(CC[NH+]1CCN(c2ccccc2)CC1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178973997 209069557 /nfs/dbraw/zinc/06/95/57/209069557.db2.gz YQNSITILSFSIBX-LJQANCHMSA-N 2 2 357.502 0.315 10 0 FCAELP Nc1c(N2CC[NH+](CCO)CC2)nc[nH+]c1N1CCc2ccccc2C1 ZINC000040734341 136120349 /nfs/dbraw/zinc/12/03/49/136120349.db2.gz ZRAGEVYNFJFRHR-UHFFFAOYSA-N 2 2 354.458 0.736 10 0 FCAELP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C[C@H]1CS(N)(=O)=O ZINC000933699226 674268465 /nfs/dbraw/zinc/26/84/65/674268465.db2.gz LKVSJLNFSCAIOZ-PVAVHDDUSA-N 2 2 355.504 0.336 10 0 FCAELP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C[C@H]1CS(N)(=O)=O ZINC000933699226 674268468 /nfs/dbraw/zinc/26/84/68/674268468.db2.gz LKVSJLNFSCAIOZ-PVAVHDDUSA-N 2 2 355.504 0.336 10 0 FCAELP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)C[C@H]1CS(N)(=O)=O ZINC000933699226 674268471 /nfs/dbraw/zinc/26/84/71/674268471.db2.gz LKVSJLNFSCAIOZ-PVAVHDDUSA-N 2 2 355.504 0.336 10 0 FCAELP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C[C@H]1CS(N)(=O)=O ZINC000933699226 674268473 /nfs/dbraw/zinc/26/84/73/674268473.db2.gz LKVSJLNFSCAIOZ-PVAVHDDUSA-N 2 2 355.504 0.336 10 0 FCAELP Cc1cc(NCC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)nc(C(C)C)[nH+]1 ZINC000629594512 484362693 /nfs/dbraw/zinc/36/26/93/484362693.db2.gz VBHXRRXPQNEJEH-MRXNPFEDSA-N 3 2 350.511 0.518 10 0 FCAELP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000562802888 491189401 /nfs/dbraw/zinc/18/94/01/491189401.db2.gz FPBYPHHPNUOGQI-SOLBZPMBSA-N 2 2 368.547 0.835 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)[C@@H]1c1ccccc1 ZINC000288064529 488939070 /nfs/dbraw/zinc/93/90/70/488939070.db2.gz ADXQBFBBJUAQSY-MSOLQXFVSA-N 2 2 356.470 0.855 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)[C@@H]1c1ccccc1 ZINC000288064529 488939072 /nfs/dbraw/zinc/93/90/72/488939072.db2.gz ADXQBFBBJUAQSY-MSOLQXFVSA-N 2 2 356.470 0.855 10 0 FCAELP C[NH+]1CCN(C(=O)CCNC(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000046226826 487973199 /nfs/dbraw/zinc/97/31/99/487973199.db2.gz GAENFYZBFBJXAB-UHFFFAOYSA-N 2 2 374.489 0.514 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(CC(N)=O)CC2)C1 ZINC000048024878 488055426 /nfs/dbraw/zinc/05/54/26/488055426.db2.gz FSCSTWXNGVHBKR-MRXNPFEDSA-N 2 2 354.495 0.047 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(CC(N)=O)CC2)C1 ZINC000048024878 488055431 /nfs/dbraw/zinc/05/54/31/488055431.db2.gz FSCSTWXNGVHBKR-MRXNPFEDSA-N 2 2 354.495 0.047 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(CC(N)=O)CC2)C1 ZINC000048024879 488055788 /nfs/dbraw/zinc/05/57/88/488055788.db2.gz FSCSTWXNGVHBKR-INIZCTEOSA-N 2 2 354.495 0.047 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(CC(N)=O)CC2)C1 ZINC000048024879 488055794 /nfs/dbraw/zinc/05/57/94/488055794.db2.gz FSCSTWXNGVHBKR-INIZCTEOSA-N 2 2 354.495 0.047 10 0 FCAELP O=C(NCc1cccnc1-n1cc[nH+]c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000049174416 488091155 /nfs/dbraw/zinc/09/11/55/488091155.db2.gz STAJUGACNYDDFZ-INIZCTEOSA-N 2 2 358.446 0.913 10 0 FCAELP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N[C@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000052523552 488169151 /nfs/dbraw/zinc/16/91/51/488169151.db2.gz ZVCGRLKZUFTNPK-SFHVURJKSA-N 2 2 373.501 0.968 10 0 FCAELP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N[C@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000052523552 488169157 /nfs/dbraw/zinc/16/91/57/488169157.db2.gz ZVCGRLKZUFTNPK-SFHVURJKSA-N 2 2 373.501 0.968 10 0 FCAELP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000052523551 488169535 /nfs/dbraw/zinc/16/95/35/488169535.db2.gz ZVCGRLKZUFTNPK-GOSISDBHSA-N 2 2 373.501 0.968 10 0 FCAELP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N[C@@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000052523551 488169544 /nfs/dbraw/zinc/16/95/44/488169544.db2.gz ZVCGRLKZUFTNPK-GOSISDBHSA-N 2 2 373.501 0.968 10 0 FCAELP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000562823156 491193194 /nfs/dbraw/zinc/19/31/94/491193194.db2.gz RYRJCCOURFNQGT-IXDOHACOSA-N 2 2 367.453 0.979 10 0 FCAELP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000184061626 488394694 /nfs/dbraw/zinc/39/46/94/488394694.db2.gz NMONSDNSLKZAFI-QGZVFWFLSA-N 2 2 374.533 0.589 10 0 FCAELP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000184061626 488394697 /nfs/dbraw/zinc/39/46/97/488394697.db2.gz NMONSDNSLKZAFI-QGZVFWFLSA-N 2 2 374.533 0.589 10 0 FCAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185194240 488400299 /nfs/dbraw/zinc/40/02/99/488400299.db2.gz UGZVFJVTOXTNKV-QFBILLFUSA-N 2 2 360.458 0.610 10 0 FCAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185194240 488400300 /nfs/dbraw/zinc/40/03/00/488400300.db2.gz UGZVFJVTOXTNKV-QFBILLFUSA-N 2 2 360.458 0.610 10 0 FCAELP Cc1cccc2[nH+]c(CNC(=O)N3CC[NH+](CCC(=O)N(C)C)CC3)cn21 ZINC000268488540 488423820 /nfs/dbraw/zinc/42/38/20/488423820.db2.gz OYUDHWMWQBLROG-UHFFFAOYSA-N 2 2 372.473 0.948 10 0 FCAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000192811914 488424761 /nfs/dbraw/zinc/42/47/61/488424761.db2.gz GSXCDSSXRHDUNL-MRXNPFEDSA-N 2 2 373.501 0.919 10 0 FCAELP CC(C)[C@H](CNC(=O)NC[C@@H](C)[NH+]1CCOCC1)[NH+]1CCN(C)CC1 ZINC000079126322 488427731 /nfs/dbraw/zinc/42/77/31/488427731.db2.gz FHTAUVUBQVZNOQ-SJORKVTESA-N 2 2 355.527 0.278 10 0 FCAELP CC[NH+]1CCN(CC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC000079798089 488432226 /nfs/dbraw/zinc/43/22/26/488432226.db2.gz WZSBGILBHJTKPK-LJQANCHMSA-N 2 2 360.502 0.814 10 0 FCAELP C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C[C@@H]1C ZINC000246782996 488475437 /nfs/dbraw/zinc/47/54/37/488475437.db2.gz QDJJXZYEXCIWSA-HOTGVXAUSA-N 2 2 361.490 0.361 10 0 FCAELP C[C@H](O)C[N@H+]1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C[C@@H]1C ZINC000246782996 488475441 /nfs/dbraw/zinc/47/54/41/488475441.db2.gz QDJJXZYEXCIWSA-HOTGVXAUSA-N 2 2 361.490 0.361 10 0 FCAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000247007568 488479857 /nfs/dbraw/zinc/47/98/57/488479857.db2.gz HABOELLBHFRNSM-IXDOHACOSA-N 2 2 366.506 0.012 10 0 FCAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000247007568 488479859 /nfs/dbraw/zinc/47/98/59/488479859.db2.gz HABOELLBHFRNSM-IXDOHACOSA-N 2 2 366.506 0.012 10 0 FCAELP C[NH+]1CCCC[C@@H]1CN1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000247145565 488482616 /nfs/dbraw/zinc/48/26/16/488482616.db2.gz NEMDWOYXGBOEDP-SJORKVTESA-N 2 2 353.511 0.129 10 0 FCAELP C[NH+]1CCCC[C@@H]1CN1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000247145565 488482618 /nfs/dbraw/zinc/48/26/18/488482618.db2.gz NEMDWOYXGBOEDP-SJORKVTESA-N 2 2 353.511 0.129 10 0 FCAELP C[NH+]1CCO[C@@H](CNC(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000247145565 488482619 /nfs/dbraw/zinc/48/26/19/488482619.db2.gz NEMDWOYXGBOEDP-SJORKVTESA-N 2 2 353.511 0.129 10 0 FCAELP C[NH+]1CCO[C@@H](CNC(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000247145565 488482621 /nfs/dbraw/zinc/48/26/21/488482621.db2.gz NEMDWOYXGBOEDP-SJORKVTESA-N 2 2 353.511 0.129 10 0 FCAELP C[C@@H]1CN(S(=O)(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000097000056 488491517 /nfs/dbraw/zinc/49/15/17/488491517.db2.gz ODGQSYXYOHKBSN-GASCZTMLSA-N 2 2 362.540 0.298 10 0 FCAELP C[C@@H]1CN(S(=O)(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000097000056 488491518 /nfs/dbraw/zinc/49/15/18/488491518.db2.gz ODGQSYXYOHKBSN-GASCZTMLSA-N 2 2 362.540 0.298 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CC(=O)NC(C)(C)C)C1 ZINC000102691565 488498411 /nfs/dbraw/zinc/49/84/11/488498411.db2.gz LRECCGJACFIAQX-HNNXBMFYSA-N 2 2 356.511 0.306 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CC(=O)NC(C)(C)C)C1 ZINC000102691565 488498413 /nfs/dbraw/zinc/49/84/13/488498413.db2.gz LRECCGJACFIAQX-HNNXBMFYSA-N 2 2 356.511 0.306 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)CC(=O)NC(C)(C)C)C1 ZINC000102691565 488498415 /nfs/dbraw/zinc/49/84/15/488498415.db2.gz LRECCGJACFIAQX-HNNXBMFYSA-N 2 2 356.511 0.306 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)CC(=O)NC(C)(C)C)C1 ZINC000102691565 488498416 /nfs/dbraw/zinc/49/84/16/488498416.db2.gz LRECCGJACFIAQX-HNNXBMFYSA-N 2 2 356.511 0.306 10 0 FCAELP C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)[C@@H](C)C1 ZINC000249114696 488506308 /nfs/dbraw/zinc/50/63/08/488506308.db2.gz RVTLUFSHKFDBMG-HOTGVXAUSA-N 2 2 361.490 0.361 10 0 FCAELP C[C@H](O)C[N@H+]1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)[C@@H](C)C1 ZINC000249114696 488506309 /nfs/dbraw/zinc/50/63/09/488506309.db2.gz RVTLUFSHKFDBMG-HOTGVXAUSA-N 2 2 361.490 0.361 10 0 FCAELP O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000563011510 491207600 /nfs/dbraw/zinc/20/76/00/491207600.db2.gz NQPFALZDPAUIMA-ZIAGYGMSSA-N 2 2 355.398 0.734 10 0 FCAELP O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000563011510 491207603 /nfs/dbraw/zinc/20/76/03/491207603.db2.gz NQPFALZDPAUIMA-ZIAGYGMSSA-N 2 2 355.398 0.734 10 0 FCAELP COc1cc(C[NH+]2CCN(C(=O)C3([NH3+])CCOCC3)CC2)cc(OC)c1 ZINC000261953861 488543468 /nfs/dbraw/zinc/54/34/68/488543468.db2.gz ZLZCKHGFVYOQGI-UHFFFAOYSA-N 2 2 363.458 0.856 10 0 FCAELP COCC[N@H+](C)CCNC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000115677126 488545095 /nfs/dbraw/zinc/54/50/95/488545095.db2.gz JKUYARJIPHRGEO-UHFFFAOYSA-N 2 2 366.510 0.442 10 0 FCAELP COCC[N@@H+](C)CCNC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000115677126 488545097 /nfs/dbraw/zinc/54/50/97/488545097.db2.gz JKUYARJIPHRGEO-UHFFFAOYSA-N 2 2 366.510 0.442 10 0 FCAELP Cn1c2ccc(C[N@@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)cc2sc1=O ZINC000262002288 488545428 /nfs/dbraw/zinc/54/54/28/488545428.db2.gz UGCJMUWRNNKGCE-AWEZNQCLSA-N 2 2 360.483 0.996 10 0 FCAELP Cn1c2ccc(C[N@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)cc2sc1=O ZINC000262002288 488545430 /nfs/dbraw/zinc/54/54/30/488545430.db2.gz UGCJMUWRNNKGCE-AWEZNQCLSA-N 2 2 360.483 0.996 10 0 FCAELP CN(C(=O)C[NH+]1CCN(Cc2noc(C[NH3+])n2)CC1)C1CCCCC1 ZINC000262116451 488551200 /nfs/dbraw/zinc/55/12/00/488551200.db2.gz BNIIVCWPSHTFGU-UHFFFAOYSA-N 2 2 350.467 0.437 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000123183237 488583020 /nfs/dbraw/zinc/58/30/20/488583020.db2.gz SHEOMPXMYJICCX-FGTMMUONSA-N 3 2 354.539 0.874 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000123183237 488583022 /nfs/dbraw/zinc/58/30/22/488583022.db2.gz SHEOMPXMYJICCX-FGTMMUONSA-N 3 2 354.539 0.874 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000123183237 488583023 /nfs/dbraw/zinc/58/30/23/488583023.db2.gz SHEOMPXMYJICCX-FGTMMUONSA-N 3 2 354.539 0.874 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000123183237 488583025 /nfs/dbraw/zinc/58/30/25/488583025.db2.gz SHEOMPXMYJICCX-FGTMMUONSA-N 3 2 354.539 0.874 10 0 FCAELP C[C@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[N@@H+]1C ZINC000123949205 488589243 /nfs/dbraw/zinc/58/92/43/488589243.db2.gz MZUXNAVBQJBGDW-GXTWGEPZSA-N 2 2 354.476 0.687 10 0 FCAELP C[C@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[N@H+]1C ZINC000123949205 488589246 /nfs/dbraw/zinc/58/92/46/488589246.db2.gz MZUXNAVBQJBGDW-GXTWGEPZSA-N 2 2 354.476 0.687 10 0 FCAELP C[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[NH+]1C ZINC000123949205 488589249 /nfs/dbraw/zinc/58/92/49/488589249.db2.gz MZUXNAVBQJBGDW-GXTWGEPZSA-N 2 2 354.476 0.687 10 0 FCAELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[NH+]1C ZINC000123949205 488589251 /nfs/dbraw/zinc/58/92/51/488589251.db2.gz MZUXNAVBQJBGDW-GXTWGEPZSA-N 2 2 354.476 0.687 10 0 FCAELP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000126600869 488610534 /nfs/dbraw/zinc/61/05/34/488610534.db2.gz HAYMWFMEWIAVAS-MRXNPFEDSA-N 2 2 353.511 0.666 10 0 FCAELP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000127605204 488618464 /nfs/dbraw/zinc/61/84/64/488618464.db2.gz JCNBOURONJDBNA-FQEVSTJZSA-N 2 2 372.513 0.784 10 0 FCAELP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000127605204 488618466 /nfs/dbraw/zinc/61/84/66/488618466.db2.gz JCNBOURONJDBNA-FQEVSTJZSA-N 2 2 372.513 0.784 10 0 FCAELP O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000133673348 488660868 /nfs/dbraw/zinc/66/08/68/488660868.db2.gz CBAMHLZAOLFIKJ-MOPGFXCFSA-N 2 2 359.470 0.867 10 0 FCAELP O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000133673348 488660870 /nfs/dbraw/zinc/66/08/70/488660870.db2.gz CBAMHLZAOLFIKJ-MOPGFXCFSA-N 2 2 359.470 0.867 10 0 FCAELP O=C(NC[C@@H]1C[NH+](C2CC2)CCO1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000133673348 488660871 /nfs/dbraw/zinc/66/08/71/488660871.db2.gz CBAMHLZAOLFIKJ-MOPGFXCFSA-N 2 2 359.470 0.867 10 0 FCAELP O=C(NC[C@@H]1C[NH+](C2CC2)CCO1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000133673348 488660873 /nfs/dbraw/zinc/66/08/73/488660873.db2.gz CBAMHLZAOLFIKJ-MOPGFXCFSA-N 2 2 359.470 0.867 10 0 FCAELP CCC[C@@H](C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+](C)C ZINC000161861233 488799569 /nfs/dbraw/zinc/79/95/69/488799569.db2.gz DDRHKNIGMOBELS-INIZCTEOSA-N 2 2 361.490 0.967 10 0 FCAELP Cc1ccc(OC[C@@H](O)C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000162547153 488803576 /nfs/dbraw/zinc/80/35/76/488803576.db2.gz MSZNVFIUHFECCX-HKUYNNGSSA-N 2 2 361.486 0.973 10 0 FCAELP Cc1ccc(OC[C@@H](O)C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000162547153 488803577 /nfs/dbraw/zinc/80/35/77/488803577.db2.gz MSZNVFIUHFECCX-HKUYNNGSSA-N 2 2 361.486 0.973 10 0 FCAELP CC(C)[NH+]1CCC([NH+]2CCN(c3nc4c(cnn4C)c(N)n3)CC2)CC1 ZINC000278155861 488803626 /nfs/dbraw/zinc/80/36/26/488803626.db2.gz BSEFRHRNTIIXNH-UHFFFAOYSA-N 2 2 358.494 0.940 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000171933314 488828744 /nfs/dbraw/zinc/82/87/44/488828744.db2.gz IORAXRKPIURUBO-RTBURBONSA-N 3 2 365.566 0.641 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000171933314 488828746 /nfs/dbraw/zinc/82/87/46/488828746.db2.gz IORAXRKPIURUBO-RTBURBONSA-N 3 2 365.566 0.641 10 0 FCAELP COCC[N@@H+]1CCN(C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC000172322566 488832584 /nfs/dbraw/zinc/83/25/84/488832584.db2.gz FASUDZDKGAZUOP-IAGOWNOFSA-N 2 2 356.511 0.705 10 0 FCAELP COCC[N@H+]1CCN(C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC000172322566 488832586 /nfs/dbraw/zinc/83/25/86/488832586.db2.gz FASUDZDKGAZUOP-IAGOWNOFSA-N 2 2 356.511 0.705 10 0 FCAELP COCC[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC000172322566 488832587 /nfs/dbraw/zinc/83/25/87/488832587.db2.gz FASUDZDKGAZUOP-IAGOWNOFSA-N 2 2 356.511 0.705 10 0 FCAELP COCC[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC000172322566 488832589 /nfs/dbraw/zinc/83/25/89/488832589.db2.gz FASUDZDKGAZUOP-IAGOWNOFSA-N 2 2 356.511 0.705 10 0 FCAELP CNc1cc(N2CCC[C@H]2CNC(=O)[C@H](C)N2CC[NH+](C)CC2)nc[nH+]1 ZINC000173442131 488842774 /nfs/dbraw/zinc/84/27/74/488842774.db2.gz BUBJJIABMQZHPW-GJZGRUSLSA-N 2 2 361.494 0.239 10 0 FCAELP C[NH+](C)CCN1CCC(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000173796920 488845412 /nfs/dbraw/zinc/84/54/12/488845412.db2.gz YZGCWXDRPCCLDD-QGZVFWFLSA-N 2 2 353.511 0.129 10 0 FCAELP O=C(NCCCC[NH+]1CCOCC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000173890321 488845943 /nfs/dbraw/zinc/84/59/43/488845943.db2.gz OZDIGUBHVYAPMS-QGZVFWFLSA-N 2 2 354.495 0.605 10 0 FCAELP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174880676 488851782 /nfs/dbraw/zinc/85/17/82/488851782.db2.gz HFKJECVOUGOGPR-HOTGVXAUSA-N 2 2 353.511 0.711 10 0 FCAELP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174880676 488851783 /nfs/dbraw/zinc/85/17/83/488851783.db2.gz HFKJECVOUGOGPR-HOTGVXAUSA-N 2 2 353.511 0.711 10 0 FCAELP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174874858 488851889 /nfs/dbraw/zinc/85/18/89/488851889.db2.gz HAQSUZSMEUSTAB-HOCLYGCPSA-N 2 2 351.495 0.465 10 0 FCAELP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174874858 488851890 /nfs/dbraw/zinc/85/18/90/488851890.db2.gz HAQSUZSMEUSTAB-HOCLYGCPSA-N 2 2 351.495 0.465 10 0 FCAELP COCC[N@@H+]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000175790996 488855591 /nfs/dbraw/zinc/85/55/91/488855591.db2.gz CIXXSSVPNHPONM-SJORKVTESA-N 2 2 355.527 0.232 10 0 FCAELP COCC[N@H+]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000175790996 488855592 /nfs/dbraw/zinc/85/55/92/488855592.db2.gz CIXXSSVPNHPONM-SJORKVTESA-N 2 2 355.527 0.232 10 0 FCAELP COCC[N@@H+]1CCN(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C[C@@H]1C ZINC000175790996 488855593 /nfs/dbraw/zinc/85/55/93/488855593.db2.gz CIXXSSVPNHPONM-SJORKVTESA-N 2 2 355.527 0.232 10 0 FCAELP COCC[N@H+]1CCN(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C[C@@H]1C ZINC000175790996 488855594 /nfs/dbraw/zinc/85/55/94/488855594.db2.gz CIXXSSVPNHPONM-SJORKVTESA-N 2 2 355.527 0.232 10 0 FCAELP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)CC1 ZINC000175817868 488856098 /nfs/dbraw/zinc/85/60/98/488856098.db2.gz ZVBZENUCTWBYAS-INIZCTEOSA-N 2 2 362.478 0.576 10 0 FCAELP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)c3ccc(C[NH3+])o3)CC2)C1 ZINC000178884962 488860611 /nfs/dbraw/zinc/86/06/11/488860611.db2.gz JYCDGAQJVFXTEZ-MRXNPFEDSA-N 2 2 350.463 0.605 10 0 FCAELP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)c3ccc(C[NH3+])o3)CC2)C1 ZINC000178884962 488860612 /nfs/dbraw/zinc/86/06/12/488860612.db2.gz JYCDGAQJVFXTEZ-MRXNPFEDSA-N 2 2 350.463 0.605 10 0 FCAELP C[C@@H](NC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000181716743 488863660 /nfs/dbraw/zinc/86/36/60/488863660.db2.gz RGZAHNUYSIOTQW-GVDBMIGSSA-N 2 2 370.538 0.830 10 0 FCAELP C[NH+]1CCN([C@H]2CCCC[N@H+](CC(=O)NCC(=O)OC(C)(C)C)C2)CC1 ZINC000182210905 488864395 /nfs/dbraw/zinc/86/43/95/488864395.db2.gz PUAQOHUPCNCZCM-INIZCTEOSA-N 2 2 368.522 0.546 10 0 FCAELP C[NH+]1CCN([C@H]2CCCC[N@@H+](CC(=O)NCC(=O)OC(C)(C)C)C2)CC1 ZINC000182210905 488864396 /nfs/dbraw/zinc/86/43/96/488864396.db2.gz PUAQOHUPCNCZCM-INIZCTEOSA-N 2 2 368.522 0.546 10 0 FCAELP C[C@@H]1CN(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C[C@H](C)[N@H+]1CCO ZINC000364798627 489003622 /nfs/dbraw/zinc/00/36/22/489003622.db2.gz LWACSEGSBKTVFC-GASCZTMLSA-N 2 2 358.446 0.864 10 0 FCAELP C[C@@H]1CN(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C[C@H](C)[N@@H+]1CCO ZINC000364798627 489003625 /nfs/dbraw/zinc/00/36/25/489003625.db2.gz LWACSEGSBKTVFC-GASCZTMLSA-N 2 2 358.446 0.864 10 0 FCAELP C[C@H]1OCC[C@@]1(O)CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000364895378 489015130 /nfs/dbraw/zinc/01/51/30/489015130.db2.gz UVRMSYWCUWUZLA-VQIMIIECSA-N 2 2 368.522 0.776 10 0 FCAELP O=C(C[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1)N1CCOCC1 ZINC000289344324 489060582 /nfs/dbraw/zinc/06/05/82/489060582.db2.gz MGFYEVUVSVWICY-MRXNPFEDSA-N 2 2 360.458 0.994 10 0 FCAELP O=C(C[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1)N1CCOCC1 ZINC000289344324 489060585 /nfs/dbraw/zinc/06/05/85/489060585.db2.gz MGFYEVUVSVWICY-MRXNPFEDSA-N 2 2 360.458 0.994 10 0 FCAELP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000289455866 489068580 /nfs/dbraw/zinc/06/85/80/489068580.db2.gz XSRGRKUWEKOAGZ-GXTWGEPZSA-N 2 2 361.446 0.977 10 0 FCAELP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000289455866 489068582 /nfs/dbraw/zinc/06/85/82/489068582.db2.gz XSRGRKUWEKOAGZ-GXTWGEPZSA-N 2 2 361.446 0.977 10 0 FCAELP Cn1cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(=O)n(C)c1=O ZINC000282416832 489162077 /nfs/dbraw/zinc/16/20/77/489162077.db2.gz DLYCLIAVZMVMLD-CQSZACIVSA-N 2 2 357.458 0.996 10 0 FCAELP Cn1cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(=O)n(C)c1=O ZINC000282416832 489162079 /nfs/dbraw/zinc/16/20/79/489162079.db2.gz DLYCLIAVZMVMLD-CQSZACIVSA-N 2 2 357.458 0.996 10 0 FCAELP C[C@H](O)[C@@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCO1 ZINC000563323181 491236939 /nfs/dbraw/zinc/23/69/39/491236939.db2.gz MMDBPAZVEISOFK-IRXDYDNUSA-N 2 2 368.522 0.728 10 0 FCAELP C[N@H+](CC(=O)NCc1ccccc1)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000570387163 491237686 /nfs/dbraw/zinc/23/76/86/491237686.db2.gz IXYANZGAWGWYKC-UHFFFAOYSA-N 2 2 358.486 0.978 10 0 FCAELP C[N@@H+](CC(=O)NCc1ccccc1)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000570387163 491237688 /nfs/dbraw/zinc/23/76/88/491237688.db2.gz IXYANZGAWGWYKC-UHFFFAOYSA-N 2 2 358.486 0.978 10 0 FCAELP CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000297679707 489222908 /nfs/dbraw/zinc/22/29/08/489222908.db2.gz BUFXHEYBHUERBE-HNNXBMFYSA-N 2 2 361.490 0.945 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000657071709 492709540 /nfs/dbraw/zinc/70/95/40/492709540.db2.gz SMBQOYNWQVENFI-RRFJBIMHSA-N 2 2 350.529 0.202 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000657071709 492709545 /nfs/dbraw/zinc/70/95/45/492709545.db2.gz SMBQOYNWQVENFI-RRFJBIMHSA-N 2 2 350.529 0.202 10 0 FCAELP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C(=O)N(C)C ZINC000370017754 489304045 /nfs/dbraw/zinc/30/40/45/489304045.db2.gz HDQAPMYVACLFII-HUUCEWRRSA-N 2 2 361.490 0.992 10 0 FCAELP C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C(=O)N(C)C ZINC000370017754 489304046 /nfs/dbraw/zinc/30/40/46/489304046.db2.gz HDQAPMYVACLFII-HUUCEWRRSA-N 2 2 361.490 0.992 10 0 FCAELP C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000370186815 489325347 /nfs/dbraw/zinc/32/53/47/489325347.db2.gz XBLYUJNGJKKAIZ-AESZEHBQSA-N 2 2 363.506 0.463 10 0 FCAELP C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000370186815 489325349 /nfs/dbraw/zinc/32/53/49/489325349.db2.gz XBLYUJNGJKKAIZ-AESZEHBQSA-N 2 2 363.506 0.463 10 0 FCAELP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC000370228375 489331337 /nfs/dbraw/zinc/33/13/37/489331337.db2.gz VLEMSNOZESLKJB-UHFFFAOYSA-N 2 2 362.478 0.851 10 0 FCAELP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000370228375 489331339 /nfs/dbraw/zinc/33/13/39/489331339.db2.gz VLEMSNOZESLKJB-UHFFFAOYSA-N 2 2 362.478 0.851 10 0 FCAELP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000286105018 489356616 /nfs/dbraw/zinc/35/66/16/489356616.db2.gz VRKUMSSXPAFMBR-AWEZNQCLSA-N 2 2 362.478 0.280 10 0 FCAELP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000286105018 489356619 /nfs/dbraw/zinc/35/66/19/489356619.db2.gz VRKUMSSXPAFMBR-AWEZNQCLSA-N 2 2 362.478 0.280 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423608825 489514044 /nfs/dbraw/zinc/51/40/44/489514044.db2.gz KVZLXCXVZQYOIS-SJPCQFCGSA-N 2 2 371.485 0.780 10 0 FCAELP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCN4CCOC[C@H]4C3)CC2)c1 ZINC000371828380 489514995 /nfs/dbraw/zinc/51/49/95/489514995.db2.gz HXACFWSHWAJUQK-HXUWFJFHSA-N 2 2 372.513 0.656 10 0 FCAELP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCN4CCOC[C@H]4C3)CC2)c1 ZINC000371828380 489514998 /nfs/dbraw/zinc/51/49/98/489514998.db2.gz HXACFWSHWAJUQK-HXUWFJFHSA-N 2 2 372.513 0.656 10 0 FCAELP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000563653958 491261504 /nfs/dbraw/zinc/26/15/04/491261504.db2.gz CJIRTCPMDZIRKP-CVEARBPZSA-N 2 2 354.495 0.156 10 0 FCAELP C[NH+]1CCN(c2cc(C(=O)N3CC[NH+]([C@H]4CCOC4)CC3)ccn2)CC1 ZINC000372110268 489545740 /nfs/dbraw/zinc/54/57/40/489545740.db2.gz AYMXFCRWAUFTJL-KRWDZBQOSA-N 2 2 359.474 0.380 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[N@H+](CCO)C[C@@H]2C)CC1 ZINC000452117078 489548949 /nfs/dbraw/zinc/54/89/49/489548949.db2.gz NNLHYDCEHRGABW-RBUKOAKNSA-N 2 2 374.529 0.890 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[N@@H+](CCO)C[C@@H]2C)CC1 ZINC000452117078 489548954 /nfs/dbraw/zinc/54/89/54/489548954.db2.gz NNLHYDCEHRGABW-RBUKOAKNSA-N 2 2 374.529 0.890 10 0 FCAELP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH3+])cc2)CC1 ZINC000415782645 489552838 /nfs/dbraw/zinc/55/28/38/489552838.db2.gz KXHMYFRAZNNPBP-HUUCEWRRSA-N 2 2 361.490 0.615 10 0 FCAELP CC(C)CN(C(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000563673933 491262534 /nfs/dbraw/zinc/26/25/34/491262534.db2.gz VXBYADSRCAJJAN-PNBKFKSVSA-N 2 2 359.536 0.634 10 0 FCAELP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)c[nH+]2)C[C@H](C)O1 ZINC000372356677 489574646 /nfs/dbraw/zinc/57/46/46/489574646.db2.gz MJFQHTLIQSFOAJ-JZXOWHBKSA-N 2 2 373.501 0.701 10 0 FCAELP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000416290510 489577397 /nfs/dbraw/zinc/57/73/97/489577397.db2.gz GSKUFTUOQGMMFW-ROUUACIJSA-N 2 2 374.529 0.961 10 0 FCAELP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000416290510 489577400 /nfs/dbraw/zinc/57/74/00/489577400.db2.gz GSKUFTUOQGMMFW-ROUUACIJSA-N 2 2 374.529 0.961 10 0 FCAELP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000416290511 489577637 /nfs/dbraw/zinc/57/76/37/489577637.db2.gz GSKUFTUOQGMMFW-ZWKOTPCHSA-N 2 2 374.529 0.961 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000416290511 489577638 /nfs/dbraw/zinc/57/76/38/489577638.db2.gz GSKUFTUOQGMMFW-ZWKOTPCHSA-N 2 2 374.529 0.961 10 0 FCAELP C[C@@H]1C[N@H+](CCO)CCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000457102758 489635679 /nfs/dbraw/zinc/63/56/79/489635679.db2.gz BUCIZNOVSYJLPF-GOSISDBHSA-N 2 2 360.502 0.329 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000457102758 489635680 /nfs/dbraw/zinc/63/56/80/489635680.db2.gz BUCIZNOVSYJLPF-GOSISDBHSA-N 2 2 360.502 0.329 10 0 FCAELP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CC[NH+](CCO)C[C@H]2C)C[C@H](C)O1 ZINC000457576023 489649800 /nfs/dbraw/zinc/64/98/00/489649800.db2.gz VDKLHVBCRGWTCT-OAGGEKHMSA-N 2 2 356.511 0.582 10 0 FCAELP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CC[NH+](CCO)C[C@H]2C)C[C@H](C)O1 ZINC000457576023 489649803 /nfs/dbraw/zinc/64/98/03/489649803.db2.gz VDKLHVBCRGWTCT-OAGGEKHMSA-N 2 2 356.511 0.582 10 0 FCAELP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[N@H+](CCO)C[C@H]2C)C[C@H](C)O1 ZINC000457576023 489649804 /nfs/dbraw/zinc/64/98/04/489649804.db2.gz VDKLHVBCRGWTCT-OAGGEKHMSA-N 2 2 356.511 0.582 10 0 FCAELP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[N@@H+](CCO)C[C@H]2C)C[C@H](C)O1 ZINC000457576023 489649807 /nfs/dbraw/zinc/64/98/07/489649807.db2.gz VDKLHVBCRGWTCT-OAGGEKHMSA-N 2 2 356.511 0.582 10 0 FCAELP [NH3+]C[C@@H](NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)C1CCCC1 ZINC000417712648 489662397 /nfs/dbraw/zinc/66/23/97/489662397.db2.gz QTCDGNUNPUVQQC-QGZVFWFLSA-N 2 2 365.522 0.747 10 0 FCAELP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C2)C1 ZINC000429030365 489670819 /nfs/dbraw/zinc/67/08/19/489670819.db2.gz QYMDONDGTRYIJI-LJQANCHMSA-N 2 2 360.458 0.592 10 0 FCAELP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C2)C1 ZINC000429030365 489670821 /nfs/dbraw/zinc/67/08/21/489670821.db2.gz QYMDONDGTRYIJI-LJQANCHMSA-N 2 2 360.458 0.592 10 0 FCAELP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C2)C1 ZINC000429030365 489670822 /nfs/dbraw/zinc/67/08/22/489670822.db2.gz QYMDONDGTRYIJI-LJQANCHMSA-N 2 2 360.458 0.592 10 0 FCAELP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C2)C1 ZINC000429030365 489670823 /nfs/dbraw/zinc/67/08/23/489670823.db2.gz QYMDONDGTRYIJI-LJQANCHMSA-N 2 2 360.458 0.592 10 0 FCAELP CCC([NH3+])(CC)CNC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000417982647 489674190 /nfs/dbraw/zinc/67/41/90/489674190.db2.gz BLTCIPJZPGVJFN-ZDUSSCGKSA-N 2 2 350.467 0.728 10 0 FCAELP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000488960738 489688842 /nfs/dbraw/zinc/68/88/42/489688842.db2.gz BQGNUVQXXJIGDL-AWEZNQCLSA-N 2 2 356.430 0.585 10 0 FCAELP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000488960738 489688845 /nfs/dbraw/zinc/68/88/45/489688845.db2.gz BQGNUVQXXJIGDL-AWEZNQCLSA-N 2 2 356.430 0.585 10 0 FCAELP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000489511155 489715068 /nfs/dbraw/zinc/71/50/68/489715068.db2.gz URBWCSZEUHXTKP-QGZVFWFLSA-N 2 2 371.441 0.831 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000459182549 489721377 /nfs/dbraw/zinc/72/13/77/489721377.db2.gz QJDHHXBCBZBROO-IBGZPJMESA-N 2 2 357.458 0.899 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000459182549 489721379 /nfs/dbraw/zinc/72/13/79/489721379.db2.gz QJDHHXBCBZBROO-IBGZPJMESA-N 2 2 357.458 0.899 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)N[C@H](C[NH3+])C2CCCC2)C1=O ZINC000563875056 491274313 /nfs/dbraw/zinc/27/43/13/491274313.db2.gz IKSAETMRHSEHME-HUUCEWRRSA-N 2 2 362.478 0.728 10 0 FCAELP [NH3+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)C1 ZINC000418813969 489735371 /nfs/dbraw/zinc/73/53/71/489735371.db2.gz ZEACREQCDGEVLD-QWHCGFSZSA-N 2 2 366.412 0.605 10 0 FCAELP [NH3+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)C1 ZINC000418813969 489735375 /nfs/dbraw/zinc/73/53/75/489735375.db2.gz ZEACREQCDGEVLD-QWHCGFSZSA-N 2 2 366.412 0.605 10 0 FCAELP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCC[C@](O)(CO)C3)CC2)c1 ZINC000459646073 489744558 /nfs/dbraw/zinc/74/45/58/489744558.db2.gz HVKSNWXIUCOKAC-HXUWFJFHSA-N 2 2 361.486 0.458 10 0 FCAELP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCC[C@](O)(CO)C3)CC2)c1 ZINC000459646073 489744563 /nfs/dbraw/zinc/74/45/63/489744563.db2.gz HVKSNWXIUCOKAC-HXUWFJFHSA-N 2 2 361.486 0.458 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000418902057 489782776 /nfs/dbraw/zinc/78/27/76/489782776.db2.gz GPERNYGVPOVCHP-BYCMXARLSA-N 2 2 368.840 0.900 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000418902057 489782778 /nfs/dbraw/zinc/78/27/78/489782778.db2.gz GPERNYGVPOVCHP-BYCMXARLSA-N 2 2 368.840 0.900 10 0 FCAELP C[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000418907058 489785124 /nfs/dbraw/zinc/78/51/24/489785124.db2.gz LQCOVRNVYVZNSG-KGLIPLIRSA-N 2 2 356.829 0.676 10 0 FCAELP C[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000418907058 489785128 /nfs/dbraw/zinc/78/51/28/489785128.db2.gz LQCOVRNVYVZNSG-KGLIPLIRSA-N 2 2 356.829 0.676 10 0 FCAELP C[NH2+]CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000418908168 489785337 /nfs/dbraw/zinc/78/53/37/489785337.db2.gz MJVGLUBWLFEFCH-HUUCEWRRSA-N 2 2 352.866 0.927 10 0 FCAELP C[NH2+]CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000418908168 489785340 /nfs/dbraw/zinc/78/53/40/489785340.db2.gz MJVGLUBWLFEFCH-HUUCEWRRSA-N 2 2 352.866 0.927 10 0 FCAELP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000418913693 489789173 /nfs/dbraw/zinc/78/91/73/489789173.db2.gz SRWGLYQERKWVPW-BYCMXARLSA-N 2 2 352.866 0.912 10 0 FCAELP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000418913693 489789175 /nfs/dbraw/zinc/78/91/75/489789175.db2.gz SRWGLYQERKWVPW-BYCMXARLSA-N 2 2 352.866 0.912 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000418916741 489789651 /nfs/dbraw/zinc/78/96/51/489789651.db2.gz XHMXCMYTRHMNID-KCPJHIHWSA-N 2 2 352.385 0.386 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000418916741 489789653 /nfs/dbraw/zinc/78/96/53/489789653.db2.gz XHMXCMYTRHMNID-KCPJHIHWSA-N 2 2 352.385 0.386 10 0 FCAELP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000418916283 489790281 /nfs/dbraw/zinc/79/02/81/489790281.db2.gz RILRORRIYQUJOA-JKSUJKDBSA-N 2 2 374.485 0.344 10 0 FCAELP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418916146 489790329 /nfs/dbraw/zinc/79/03/29/489790329.db2.gz WHDLTTWVSJRVPL-OWYVNGRQSA-N 2 2 356.829 0.804 10 0 FCAELP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418916146 489790332 /nfs/dbraw/zinc/79/03/32/489790332.db2.gz WHDLTTWVSJRVPL-OWYVNGRQSA-N 2 2 356.829 0.804 10 0 FCAELP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000418916142 489790466 /nfs/dbraw/zinc/79/04/66/489790466.db2.gz WHDLTTWVSJRVPL-FZZIBODNSA-N 2 2 356.829 0.804 10 0 FCAELP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000418916142 489790470 /nfs/dbraw/zinc/79/04/70/489790470.db2.gz WHDLTTWVSJRVPL-FZZIBODNSA-N 2 2 356.829 0.804 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418917911 489791377 /nfs/dbraw/zinc/79/13/77/489791377.db2.gz YZVHUXVIWMEPOQ-CABCVRRESA-N 2 2 368.840 0.772 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418917911 489791380 /nfs/dbraw/zinc/79/13/80/489791380.db2.gz YZVHUXVIWMEPOQ-CABCVRRESA-N 2 2 368.840 0.772 10 0 FCAELP CCNc1nc(N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)nc(NC(C)(C)C)[nH+]1 ZINC000419008638 489816368 /nfs/dbraw/zinc/81/63/68/489816368.db2.gz VZURQXLTDQPLKU-OLZOCXBDSA-N 2 2 351.499 0.827 10 0 FCAELP CCNc1nc(N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)nc(NC(C)(C)C)[nH+]1 ZINC000419008638 489816372 /nfs/dbraw/zinc/81/63/72/489816372.db2.gz VZURQXLTDQPLKU-OLZOCXBDSA-N 2 2 351.499 0.827 10 0 FCAELP O=S(=O)(CCC[NH+]1CCOCC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000376952027 489823753 /nfs/dbraw/zinc/82/37/53/489823753.db2.gz XOMBZPDANGSQBE-KRWDZBQOSA-N 2 2 359.536 0.989 10 0 FCAELP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NCC[N@H+]2CC=C(C)CC2)CC1 ZINC000460231440 489855594 /nfs/dbraw/zinc/85/55/94/489855594.db2.gz RYKCITRQIKBXEE-UHFFFAOYSA-N 2 2 365.522 0.834 10 0 FCAELP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NCC[N@@H+]2CC=C(C)CC2)CC1 ZINC000460231440 489855598 /nfs/dbraw/zinc/85/55/98/489855598.db2.gz RYKCITRQIKBXEE-UHFFFAOYSA-N 2 2 365.522 0.834 10 0 FCAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)c(C)c1 ZINC000419108672 489858175 /nfs/dbraw/zinc/85/81/75/489858175.db2.gz MAHLJLRFGMTCPL-NVXWUHKLSA-N 2 2 355.442 0.917 10 0 FCAELP C[NH+]1CCN(c2cccc(C(=O)NCC(C)(C)[NH+]3CCOCC3)n2)CC1 ZINC000571064785 491283986 /nfs/dbraw/zinc/28/39/86/491283986.db2.gz KLUBUECZVGCOQB-UHFFFAOYSA-N 2 2 361.490 0.674 10 0 FCAELP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000420110929 489915259 /nfs/dbraw/zinc/91/52/59/489915259.db2.gz ZVZLOLHKTFRADC-HIFRSBDPSA-N 2 2 350.488 0.507 10 0 FCAELP CC(C)N(CCCNC(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)S(C)(=O)=O ZINC000420367953 489968378 /nfs/dbraw/zinc/96/83/78/489968378.db2.gz KCIRZNQELDFCIK-KRWDZBQOSA-N 2 2 374.551 0.238 10 0 FCAELP CC(C)N(CCCNC(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)S(C)(=O)=O ZINC000420367953 489968382 /nfs/dbraw/zinc/96/83/82/489968382.db2.gz KCIRZNQELDFCIK-KRWDZBQOSA-N 2 2 374.551 0.238 10 0 FCAELP CCC[NH+]1CCC(CNC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000477655052 489982500 /nfs/dbraw/zinc/98/25/00/489982500.db2.gz VRQTXEUPZRQCSP-UHFFFAOYSA-N 2 2 373.501 0.968 10 0 FCAELP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000435507199 490004637 /nfs/dbraw/zinc/00/46/37/490004637.db2.gz KKQUAKBDCVXSSU-BBWFWOEESA-N 2 2 356.511 0.584 10 0 FCAELP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000435507199 490004641 /nfs/dbraw/zinc/00/46/41/490004641.db2.gz KKQUAKBDCVXSSU-BBWFWOEESA-N 2 2 356.511 0.584 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(F)(F)[C@@H](CO)C2)C1 ZINC000463224673 490005656 /nfs/dbraw/zinc/00/56/56/490005656.db2.gz FSYJXRRRKXTJKK-CABCVRRESA-N 2 2 363.449 0.409 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(F)(F)[C@@H](CO)C2)C1 ZINC000463224673 490005658 /nfs/dbraw/zinc/00/56/58/490005658.db2.gz FSYJXRRRKXTJKK-CABCVRRESA-N 2 2 363.449 0.409 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)C1 ZINC000463224673 490005659 /nfs/dbraw/zinc/00/56/59/490005659.db2.gz FSYJXRRRKXTJKK-CABCVRRESA-N 2 2 363.449 0.409 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC(F)(F)[C@@H](CO)C2)C1 ZINC000463224673 490005660 /nfs/dbraw/zinc/00/56/60/490005660.db2.gz FSYJXRRRKXTJKK-CABCVRRESA-N 2 2 363.449 0.409 10 0 FCAELP CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438312425 490033523 /nfs/dbraw/zinc/03/35/23/490033523.db2.gz BMDAZHWZVKYSLB-OAHLLOKOSA-N 2 2 352.483 1.067 10 0 FCAELP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000571331845 491301386 /nfs/dbraw/zinc/30/13/86/491301386.db2.gz XPPXXISALBJKRE-SJORKVTESA-N 2 2 368.522 0.546 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000422084196 490138516 /nfs/dbraw/zinc/13/85/16/490138516.db2.gz AXWUZNYYCYVPNP-GOSISDBHSA-N 2 2 369.469 0.860 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000422084196 490138529 /nfs/dbraw/zinc/13/85/29/490138529.db2.gz AXWUZNYYCYVPNP-GOSISDBHSA-N 2 2 369.469 0.860 10 0 FCAELP CO[C@H]1C[C@H]2C[C@H]([NH2+][C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C[C@H]2C1 ZINC000520566428 490163987 /nfs/dbraw/zinc/16/39/87/490163987.db2.gz ZIWDETFPBLNMDP-ICUGJSFKSA-N 2 2 351.491 0.713 10 0 FCAELP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000521008003 490213858 /nfs/dbraw/zinc/21/38/58/490213858.db2.gz IDGJARVWUUEGDB-KGLIPLIRSA-N 2 2 373.448 0.322 10 0 FCAELP CNC(=O)c1ccc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cn1 ZINC000408078479 490243136 /nfs/dbraw/zinc/24/31/36/490243136.db2.gz HYJDCCKTNYCDTC-CQSZACIVSA-N 2 2 359.474 0.682 10 0 FCAELP CNC(=O)c1ccc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cn1 ZINC000408078479 490243141 /nfs/dbraw/zinc/24/31/41/490243141.db2.gz HYJDCCKTNYCDTC-CQSZACIVSA-N 2 2 359.474 0.682 10 0 FCAELP Cn1cnn(CCC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1=O ZINC000556358852 491311439 /nfs/dbraw/zinc/31/14/39/491311439.db2.gz BHDMRSKBOMJVPW-UHFFFAOYSA-N 2 2 364.494 0.038 10 0 FCAELP Cn1ccnc1[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000571516856 491312376 /nfs/dbraw/zinc/31/23/76/491312376.db2.gz SDKNLUPSZCNGTB-ZWKOTPCHSA-N 2 2 361.465 0.847 10 0 FCAELP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000498287432 490280942 /nfs/dbraw/zinc/28/09/42/490280942.db2.gz KXZJPXBFJRIADA-MRXNPFEDSA-N 2 2 355.479 0.585 10 0 FCAELP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000498287432 490280946 /nfs/dbraw/zinc/28/09/46/490280946.db2.gz KXZJPXBFJRIADA-MRXNPFEDSA-N 2 2 355.479 0.585 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)NCCCC[N@@H+](C)C3CC3)CC2)cc[nH+]1 ZINC000422456078 490330867 /nfs/dbraw/zinc/33/08/67/490330867.db2.gz PWPWNSADJPCAPO-UHFFFAOYSA-N 2 2 374.489 0.424 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)NCCCC[N@H+](C)C3CC3)CC2)cc[nH+]1 ZINC000422456078 490330874 /nfs/dbraw/zinc/33/08/74/490330874.db2.gz PWPWNSADJPCAPO-UHFFFAOYSA-N 2 2 374.489 0.424 10 0 FCAELP O=C(NCc1ccc2c[nH+]cn2c1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000422476956 490346942 /nfs/dbraw/zinc/34/69/42/490346942.db2.gz WRJAHPBOBBXTJZ-UHFFFAOYSA-N 2 2 364.409 0.694 10 0 FCAELP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(-n2cc[nH+]c2)ccn1 ZINC000571640056 491320158 /nfs/dbraw/zinc/32/01/58/491320158.db2.gz XJDNUMMDHBPVKA-AWEZNQCLSA-N 2 2 368.363 0.833 10 0 FCAELP O=C(CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)N1CCN(c2cccc[nH+]2)CC1 ZINC000422844497 490485171 /nfs/dbraw/zinc/48/51/71/490485171.db2.gz LYQYVRUMKTXFKS-PXNSSMCTSA-N 3 2 373.501 0.477 10 0 FCAELP O=C(CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)N1CCN(c2ccccn2)CC1 ZINC000422844497 490485174 /nfs/dbraw/zinc/48/51/74/490485174.db2.gz LYQYVRUMKTXFKS-PXNSSMCTSA-N 2 2 373.501 0.477 10 0 FCAELP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)CC1 ZINC000422973793 490509071 /nfs/dbraw/zinc/50/90/71/490509071.db2.gz CUJZIEPABORLCX-SJORKVTESA-N 2 2 362.449 0.633 10 0 FCAELP C[NH+](CCC[N@@H+](C)[C@H]1CCN2CCO[C@H]1C2)[C@@H]1CCN2CCO[C@H]1C2 ZINC000451135550 490518319 /nfs/dbraw/zinc/51/83/19/490518319.db2.gz BXVRBVWWTWINEW-RDGPPVDQSA-N 2 2 352.523 0.186 10 0 FCAELP CCOC(=O)[C@H]1C[N@@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CC12COC2 ZINC000451138890 490519639 /nfs/dbraw/zinc/51/96/39/490519639.db2.gz REHNCJOMMHMLTN-LSDHHAIUSA-N 2 2 353.463 0.051 10 0 FCAELP CCOC(=O)[C@H]1C[N@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CC12COC2 ZINC000451138890 490519644 /nfs/dbraw/zinc/51/96/44/490519644.db2.gz REHNCJOMMHMLTN-LSDHHAIUSA-N 2 2 353.463 0.051 10 0 FCAELP C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000535761404 490524365 /nfs/dbraw/zinc/52/43/65/490524365.db2.gz WLLRFAJNUOKSBM-MRXNPFEDSA-N 2 2 360.506 0.199 10 0 FCAELP COCCS(=O)(=O)c1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000423072767 490535415 /nfs/dbraw/zinc/53/54/15/490535415.db2.gz HXCUTYDOMNLHKC-ROUUACIJSA-N 2 2 368.499 0.963 10 0 FCAELP C[NH+](C)C1CC[NH+](CCNC(=O)NCCCc2nnc3ccccn32)CC1 ZINC000536228340 490562565 /nfs/dbraw/zinc/56/25/65/490562565.db2.gz UEMZNFGVEDZXPJ-UHFFFAOYSA-N 2 2 373.505 0.987 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@H](C)C(=O)NC(C)(C)C)C1 ZINC000485861051 490564306 /nfs/dbraw/zinc/56/43/06/490564306.db2.gz FVTZHPPDZHGOBQ-HZPDHXFCSA-N 2 2 370.538 0.694 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@H](C)C(=O)NC(C)(C)C)C1 ZINC000485861051 490564310 /nfs/dbraw/zinc/56/43/10/490564310.db2.gz FVTZHPPDZHGOBQ-HZPDHXFCSA-N 2 2 370.538 0.694 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C)C1 ZINC000485861051 490564313 /nfs/dbraw/zinc/56/43/13/490564313.db2.gz FVTZHPPDZHGOBQ-HZPDHXFCSA-N 2 2 370.538 0.694 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C)C1 ZINC000485861051 490564317 /nfs/dbraw/zinc/56/43/17/490564317.db2.gz FVTZHPPDZHGOBQ-HZPDHXFCSA-N 2 2 370.538 0.694 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@@H](C)C(=O)NC(C)(C)C)C1 ZINC000485861053 490564516 /nfs/dbraw/zinc/56/45/16/490564516.db2.gz FVTZHPPDZHGOBQ-JKSUJKDBSA-N 2 2 370.538 0.694 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@@H](C)C(=O)NC(C)(C)C)C1 ZINC000485861053 490564521 /nfs/dbraw/zinc/56/45/21/490564521.db2.gz FVTZHPPDZHGOBQ-JKSUJKDBSA-N 2 2 370.538 0.694 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C)C1 ZINC000485861053 490564525 /nfs/dbraw/zinc/56/45/25/490564525.db2.gz FVTZHPPDZHGOBQ-JKSUJKDBSA-N 2 2 370.538 0.694 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C)C1 ZINC000485861053 490564529 /nfs/dbraw/zinc/56/45/29/490564529.db2.gz FVTZHPPDZHGOBQ-JKSUJKDBSA-N 2 2 370.538 0.694 10 0 FCAELP CCN1CC[NH+](CCCNC(=O)c2cccc(N3CC[NH+](C)CC3)n2)CC1 ZINC000502038890 490671277 /nfs/dbraw/zinc/67/12/77/490671277.db2.gz XQBYSBZZYCYPLP-UHFFFAOYSA-N 2 2 374.533 0.591 10 0 FCAELP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000565029589 491346656 /nfs/dbraw/zinc/34/66/56/491346656.db2.gz ALMVDGCEXWIEGY-DLBZAZTESA-N 2 2 363.458 0.765 10 0 FCAELP COC(=O)CC[N@@H+]1CCN(C(=O)NCc2ccc[nH+]c2N(C)C)[C@H](C)C1 ZINC000538149190 490716232 /nfs/dbraw/zinc/71/62/32/490716232.db2.gz MGCIASXFSMJVCU-CQSZACIVSA-N 2 2 363.462 0.926 10 0 FCAELP COC(=O)CC[N@H+]1CCN(C(=O)NCc2ccc[nH+]c2N(C)C)[C@H](C)C1 ZINC000538149190 490716235 /nfs/dbraw/zinc/71/62/35/490716235.db2.gz MGCIASXFSMJVCU-CQSZACIVSA-N 2 2 363.462 0.926 10 0 FCAELP C[C@H]1CCN(S(=O)(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000538658003 490742308 /nfs/dbraw/zinc/74/23/08/490742308.db2.gz XRXORNYVDIIBQL-PMRDEQMMSA-N 2 2 356.536 0.816 10 0 FCAELP C[C@H]1CCN(S(=O)(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000538658003 490742310 /nfs/dbraw/zinc/74/23/10/490742310.db2.gz XRXORNYVDIIBQL-PMRDEQMMSA-N 2 2 356.536 0.816 10 0 FCAELP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000538836653 490753418 /nfs/dbraw/zinc/75/34/18/490753418.db2.gz QRXNEQOKANSAGF-SFHVURJKSA-N 2 2 364.534 0.870 10 0 FCAELP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000538836653 490753420 /nfs/dbraw/zinc/75/34/20/490753420.db2.gz QRXNEQOKANSAGF-SFHVURJKSA-N 2 2 364.534 0.870 10 0 FCAELP Cc1c[nH+]cn1CC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000527975750 490770267 /nfs/dbraw/zinc/77/02/67/490770267.db2.gz FTPHWVJNBZRVGE-UHFFFAOYSA-N 2 2 355.442 0.896 10 0 FCAELP O=C(CN1CC[NH2+]C[C@H]1C(F)F)N1CC[NH+](Cc2ccsc2)CC1 ZINC000515352708 490821255 /nfs/dbraw/zinc/82/12/55/490821255.db2.gz MFHPWEDXWUTYTQ-AWEZNQCLSA-N 2 2 358.458 0.931 10 0 FCAELP C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530228692 490894275 /nfs/dbraw/zinc/89/42/75/490894275.db2.gz 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492599603 /nfs/dbraw/zinc/59/96/03/492599603.db2.gz UAOOKGXVOJCTFW-HNNXBMFYSA-N 2 2 351.451 0.152 10 0 FCAELP C[NH+](C)CCOc1cc(CNC(=O)NC[C@H]2COCC[N@H+]2C)ccn1 ZINC000623824966 492599608 /nfs/dbraw/zinc/59/96/08/492599608.db2.gz UAOOKGXVOJCTFW-HNNXBMFYSA-N 2 2 351.451 0.152 10 0 FCAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000624280948 492634446 /nfs/dbraw/zinc/63/44/46/492634446.db2.gz VSFZXOXPOGNXDK-MAUKXSAKSA-N 2 2 366.531 0.977 10 0 FCAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000624280948 492634448 /nfs/dbraw/zinc/63/44/48/492634448.db2.gz VSFZXOXPOGNXDK-MAUKXSAKSA-N 2 2 366.531 0.977 10 0 FCAELP CC(C)[N@H+](C)C[C@@H](O)CN1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000656698010 492643274 /nfs/dbraw/zinc/64/32/74/492643274.db2.gz XXJDHBBHKCXKAA-FUHWJXTLSA-N 2 2 354.539 0.752 10 0 FCAELP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000656698010 492643276 /nfs/dbraw/zinc/64/32/76/492643276.db2.gz XXJDHBBHKCXKAA-FUHWJXTLSA-N 2 2 354.539 0.752 10 0 FCAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000656790551 492649550 /nfs/dbraw/zinc/64/95/50/492649550.db2.gz YYLHUDAUSMEJSH-SNRMKQJTSA-N 3 2 360.502 0.928 10 0 FCAELP C[NH2+]CCOCC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000629571501 492649691 /nfs/dbraw/zinc/64/96/91/492649691.db2.gz VLYMCNSDXBXNKE-UHFFFAOYSA-N 3 2 354.520 0.560 10 0 FCAELP C[NH2+]CCOCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000629571501 492649693 /nfs/dbraw/zinc/64/96/93/492649693.db2.gz VLYMCNSDXBXNKE-UHFFFAOYSA-N 3 2 354.520 0.560 10 0 FCAELP Cc1ccn2cc(CNC(=O)N3CCN(CC[NH+](C)C)C(=O)C3)[nH+]c2c1 ZINC000650722307 492663517 /nfs/dbraw/zinc/66/35/17/492663517.db2.gz PBMLHWFUCFYQCC-UHFFFAOYSA-N 2 2 358.446 0.558 10 0 FCAELP C[C@@H]1CCN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C[C@@H]1n1cc[nH+]c1 ZINC000629802743 492679811 /nfs/dbraw/zinc/67/98/11/492679811.db2.gz PESWUBGYCICTHI-OHQAAIJDSA-N 2 2 359.474 0.751 10 0 FCAELP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3C[NH+](Cc4ccncc4)CCO3)C[C@@H]21 ZINC000624932011 492698504 /nfs/dbraw/zinc/69/85/04/492698504.db2.gz UMHKPIKJIGYIJT-SQNIBIBYSA-N 2 2 359.474 0.628 10 0 FCAELP C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3C[NH+](Cc4ccncc4)CCO3)C[C@@H]21 ZINC000624932011 492698507 /nfs/dbraw/zinc/69/85/07/492698507.db2.gz UMHKPIKJIGYIJT-SQNIBIBYSA-N 2 2 359.474 0.628 10 0 FCAELP C[NH+]1CC[C@@H]2CN(C(=O)NC[C@H]3C[N@H+](Cc4ccncc4)CCO3)C[C@@H]21 ZINC000624932011 492698510 /nfs/dbraw/zinc/69/85/10/492698510.db2.gz UMHKPIKJIGYIJT-SQNIBIBYSA-N 2 2 359.474 0.628 10 0 FCAELP C[NH+]1CC[C@@H]2CN(C(=O)NC[C@H]3C[N@@H+](Cc4ccncc4)CCO3)C[C@@H]21 ZINC000624932011 492698512 /nfs/dbraw/zinc/69/85/12/492698512.db2.gz UMHKPIKJIGYIJT-SQNIBIBYSA-N 2 2 359.474 0.628 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1c(Cl)cnn1C ZINC000657071306 492709369 /nfs/dbraw/zinc/70/93/69/492709369.db2.gz JHCAZODQCFVEOX-NSHDSACASA-N 2 2 351.904 0.624 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1c(Cl)cnn1C ZINC000657071306 492709370 /nfs/dbraw/zinc/70/93/70/492709370.db2.gz JHCAZODQCFVEOX-NSHDSACASA-N 2 2 351.904 0.624 10 0 FCAELP Cc1noc2ncc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc12 ZINC000657093094 492716316 /nfs/dbraw/zinc/71/63/16/492716316.db2.gz YGTJLFXJCIBPTF-UHFFFAOYSA-N 2 2 355.464 0.693 10 0 FCAELP Cc1noc2ncc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)cc12 ZINC000657093094 492716320 /nfs/dbraw/zinc/71/63/20/492716320.db2.gz YGTJLFXJCIBPTF-UHFFFAOYSA-N 2 2 355.464 0.693 10 0 FCAELP CC[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CO1 ZINC000657318975 492749175 /nfs/dbraw/zinc/74/91/75/492749175.db2.gz XOCIUECKSCDAQW-CVEARBPZSA-N 2 2 368.503 0.691 10 0 FCAELP C[NH+](C)CCN1CCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1=O ZINC000651383424 492749489 /nfs/dbraw/zinc/74/94/89/492749489.db2.gz YZTLABRVRIRPGD-HNNXBMFYSA-N 2 2 362.478 0.038 10 0 FCAELP C[NH+](C)CCN1CCN(c2cc(N3CCCC[C@H]3CO)nc[nH+]2)CC1=O ZINC000651383424 492749491 /nfs/dbraw/zinc/74/94/91/492749491.db2.gz YZTLABRVRIRPGD-HNNXBMFYSA-N 2 2 362.478 0.038 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCO[C@H](CCF)C1 ZINC000625409793 492776549 /nfs/dbraw/zinc/77/65/49/492776549.db2.gz NHILIKSGKNXGRY-MRXNPFEDSA-N 2 2 372.485 0.058 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCO[C@H](CCF)C1 ZINC000625409793 492776552 /nfs/dbraw/zinc/77/65/52/492776552.db2.gz NHILIKSGKNXGRY-MRXNPFEDSA-N 2 2 372.485 0.058 10 0 FCAELP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000644513663 492780869 /nfs/dbraw/zinc/78/08/69/492780869.db2.gz JQWUKKCNKHWONX-FQEVSTJZSA-N 3 2 362.518 0.217 10 0 FCAELP C[NH+](C)CCN(Cc1ccccc1)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631678554 492834189 /nfs/dbraw/zinc/83/41/89/492834189.db2.gz DTLGBOQQTCEVRH-KRWDZBQOSA-N 2 2 355.504 0.711 10 0 FCAELP C[NH+](C)CCN(Cc1ccccc1)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631678554 492834193 /nfs/dbraw/zinc/83/41/93/492834193.db2.gz DTLGBOQQTCEVRH-KRWDZBQOSA-N 2 2 355.504 0.711 10 0 FCAELP C[NH+]1CCN(c2ncc(C[N@@H+]3CCn4c(CC5CC5)nnc4C3)cn2)CC1 ZINC000651899139 492844947 /nfs/dbraw/zinc/84/49/47/492844947.db2.gz MNRVJNVDSBUEJW-UHFFFAOYSA-N 2 2 368.489 0.788 10 0 FCAELP C[NH+]1CCN(c2ncc(C[N@H+]3CCn4c(CC5CC5)nnc4C3)cn2)CC1 ZINC000651899139 492844949 /nfs/dbraw/zinc/84/49/49/492844949.db2.gz MNRVJNVDSBUEJW-UHFFFAOYSA-N 2 2 368.489 0.788 10 0 FCAELP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000625626565 492846233 /nfs/dbraw/zinc/84/62/33/492846233.db2.gz XZUMYMLSGFODJI-ZBFHGGJFSA-N 2 2 359.474 0.869 10 0 FCAELP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000625626565 492846235 /nfs/dbraw/zinc/84/62/35/492846235.db2.gz XZUMYMLSGFODJI-ZBFHGGJFSA-N 2 2 359.474 0.869 10 0 FCAELP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNS(=O)(=O)C[C@@H]2C[NH+](C)CCO2)C1 ZINC000631787926 492853515 /nfs/dbraw/zinc/85/35/15/492853515.db2.gz IYSJANQCZDAFTN-XHSDSOJGSA-N 2 2 361.552 0.993 10 0 FCAELP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNS(=O)(=O)C[C@@H]2C[NH+](C)CCO2)C1 ZINC000631787926 492853518 /nfs/dbraw/zinc/85/35/18/492853518.db2.gz IYSJANQCZDAFTN-XHSDSOJGSA-N 2 2 361.552 0.993 10 0 FCAELP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)C1 ZINC000631787926 492853522 /nfs/dbraw/zinc/85/35/22/492853522.db2.gz IYSJANQCZDAFTN-XHSDSOJGSA-N 2 2 361.552 0.993 10 0 FCAELP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000631787926 492853526 /nfs/dbraw/zinc/85/35/26/492853526.db2.gz IYSJANQCZDAFTN-XHSDSOJGSA-N 2 2 361.552 0.993 10 0 FCAELP Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cn2cc[nH+]c12 ZINC000658339890 492861751 /nfs/dbraw/zinc/86/17/51/492861751.db2.gz WXOCNRKFKKPMJZ-HNNXBMFYSA-N 3 2 374.489 0.969 10 0 FCAELP Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cn2cc[nH+]c12 ZINC000658339890 492861757 /nfs/dbraw/zinc/86/17/57/492861757.db2.gz WXOCNRKFKKPMJZ-HNNXBMFYSA-N 3 2 374.489 0.969 10 0 FCAELP Cc1cc(NC(=O)C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)cn2cc[nH+]c12 ZINC000658339890 492861764 /nfs/dbraw/zinc/86/17/64/492861764.db2.gz WXOCNRKFKKPMJZ-HNNXBMFYSA-N 2 2 374.489 0.969 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cc2n(n1)CCCC2 ZINC000658339892 492862254 /nfs/dbraw/zinc/86/22/54/492862254.db2.gz XFBOTAUKISHIIQ-AWEZNQCLSA-N 2 2 364.494 0.546 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cc2n(n1)CCCC2 ZINC000658339892 492862256 /nfs/dbraw/zinc/86/22/56/492862256.db2.gz XFBOTAUKISHIIQ-AWEZNQCLSA-N 2 2 364.494 0.546 10 0 FCAELP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)NCCOc1ccc2c(c1)OCO2 ZINC000631888541 492870775 /nfs/dbraw/zinc/87/07/75/492870775.db2.gz XDOCJWFDEPJOHK-GOEBONIOSA-N 2 2 361.442 0.984 10 0 FCAELP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)NCCOc1ccc2c(c1)OCO2 ZINC000631888541 492870777 /nfs/dbraw/zinc/87/07/77/492870777.db2.gz XDOCJWFDEPJOHK-GOEBONIOSA-N 2 2 361.442 0.984 10 0 FCAELP C[NH+](C)[C@@H](CNS(=O)(=O)C[C@H]1C[NH2+]CCO1)c1ccccc1Cl ZINC000631909370 492875533 /nfs/dbraw/zinc/87/55/33/492875533.db2.gz CLTIVXNBOCDGRJ-DOMZBBRYSA-N 2 2 361.895 0.851 10 0 FCAELP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000658418812 492877607 /nfs/dbraw/zinc/87/76/07/492877607.db2.gz VIFZZVWJUCVUDQ-OAHLLOKOSA-N 2 2 359.474 0.719 10 0 FCAELP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000658418812 492877611 /nfs/dbraw/zinc/87/76/11/492877611.db2.gz VIFZZVWJUCVUDQ-OAHLLOKOSA-N 2 2 359.474 0.719 10 0 FCAELP CCO[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C[C@H]1C[NH3+] ZINC000652123082 492882784 /nfs/dbraw/zinc/88/27/84/492882784.db2.gz ZNORBUJCKQVTFZ-HZPDHXFCSA-N 2 2 363.462 0.423 10 0 FCAELP COc1cc(C)ccc1NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000658426800 492885412 /nfs/dbraw/zinc/88/54/12/492885412.db2.gz KHRYWCAATNJWKJ-UHFFFAOYSA-N 2 2 350.463 0.942 10 0 FCAELP COc1cc(C)ccc1NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000658426800 492885415 /nfs/dbraw/zinc/88/54/15/492885415.db2.gz KHRYWCAATNJWKJ-UHFFFAOYSA-N 2 2 350.463 0.942 10 0 FCAELP CC(C)c1nn(C)cc1NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000658429312 492886520 /nfs/dbraw/zinc/88/65/20/492886520.db2.gz VSGMNGSPYQMXSY-UHFFFAOYSA-N 2 2 352.483 0.482 10 0 FCAELP CC(C)c1nn(C)cc1NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000658429312 492886522 /nfs/dbraw/zinc/88/65/22/492886522.db2.gz VSGMNGSPYQMXSY-UHFFFAOYSA-N 2 2 352.483 0.482 10 0 FCAELP C[NH2+]Cc1ccccc1CNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000652282494 492905892 /nfs/dbraw/zinc/90/58/92/492905892.db2.gz GPOLTLRWOVBNIV-UHFFFAOYSA-N 2 2 373.501 0.856 10 0 FCAELP O=C(CNC(=O)Cc1cn2c([nH+]1)CCCC2)NCC[NH+]1CCCCCC1 ZINC000652337548 492911303 /nfs/dbraw/zinc/91/13/03/492911303.db2.gz TXHAFGBKZSRETD-UHFFFAOYSA-N 2 2 361.490 0.870 10 0 FCAELP C[C@@H](C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)N1CC[NH2+]CC1=O ZINC000638132911 492914277 /nfs/dbraw/zinc/91/42/77/492914277.db2.gz XPBCJTIZJUMQOB-SJORKVTESA-N 2 2 358.486 0.930 10 0 FCAELP C[C@@H](C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)N1CC[NH2+]CC1=O ZINC000638132911 492914281 /nfs/dbraw/zinc/91/42/81/492914281.db2.gz XPBCJTIZJUMQOB-SJORKVTESA-N 2 2 358.486 0.930 10 0 FCAELP CCO[C@@H]1C[N@H+](CC(=O)N(C)CCOc2ccccc2F)C[C@H]1C[NH3+] ZINC000652357266 492914496 /nfs/dbraw/zinc/91/44/96/492914496.db2.gz GLTAQWPRBGSTNX-RHSMWYFYSA-N 2 2 353.438 0.959 10 0 FCAELP CCO[C@@H]1C[N@@H+](CC(=O)N(C)CCOc2ccccc2F)C[C@H]1C[NH3+] ZINC000652357266 492914499 /nfs/dbraw/zinc/91/44/99/492914499.db2.gz GLTAQWPRBGSTNX-RHSMWYFYSA-N 2 2 353.438 0.959 10 0 FCAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)CC2 ZINC000626010597 492914666 /nfs/dbraw/zinc/91/46/66/492914666.db2.gz YAJOSQDMPVZXDR-CABCVRRESA-N 2 2 368.503 0.331 10 0 FCAELP CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)C1 ZINC000632060468 492921461 /nfs/dbraw/zinc/92/14/61/492921461.db2.gz NGRSWQLAKMEQCB-HZPDHXFCSA-N 2 2 363.524 0.080 10 0 FCAELP CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)C1 ZINC000632060468 492921465 /nfs/dbraw/zinc/92/14/65/492921465.db2.gz NGRSWQLAKMEQCB-HZPDHXFCSA-N 2 2 363.524 0.080 10 0 FCAELP CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)C1 ZINC000632060466 492921656 /nfs/dbraw/zinc/92/16/56/492921656.db2.gz NGRSWQLAKMEQCB-CVEARBPZSA-N 2 2 363.524 0.080 10 0 FCAELP CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000632060466 492921658 /nfs/dbraw/zinc/92/16/58/492921658.db2.gz NGRSWQLAKMEQCB-CVEARBPZSA-N 2 2 363.524 0.080 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](CCCF)CC2)C1 ZINC000626073704 492926197 /nfs/dbraw/zinc/92/61/97/492926197.db2.gz XUJOGLPAKGPFAC-QGZVFWFLSA-N 2 2 358.502 0.437 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](CCCF)CC2)C1 ZINC000626073704 492926206 /nfs/dbraw/zinc/92/62/06/492926206.db2.gz XUJOGLPAKGPFAC-QGZVFWFLSA-N 2 2 358.502 0.437 10 0 FCAELP C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632085482 492926302 /nfs/dbraw/zinc/92/63/02/492926302.db2.gz XLVYKFHNUIZQON-CQSZACIVSA-N 2 2 361.533 0.772 10 0 FCAELP C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632085482 492926307 /nfs/dbraw/zinc/92/63/07/492926307.db2.gz XLVYKFHNUIZQON-CQSZACIVSA-N 2 2 361.533 0.772 10 0 FCAELP C[C@@H]1C[N@@H+](CCCCNS(=O)(=O)C[C@H]2C[NH+](C)CCO2)C[C@H](C)O1 ZINC000632099395 492928933 /nfs/dbraw/zinc/92/89/33/492928933.db2.gz IZVRFGDUOCSSOL-OWCLPIDISA-N 2 2 363.524 0.126 10 0 FCAELP C[C@@H]1C[N@H+](CCCCNS(=O)(=O)C[C@H]2C[NH+](C)CCO2)C[C@H](C)O1 ZINC000632099395 492928937 /nfs/dbraw/zinc/92/89/37/492928937.db2.gz IZVRFGDUOCSSOL-OWCLPIDISA-N 2 2 363.524 0.126 10 0 FCAELP C[C@@H]1C[NH+](CCCCNS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)C[C@H](C)O1 ZINC000632099395 492928940 /nfs/dbraw/zinc/92/89/40/492928940.db2.gz IZVRFGDUOCSSOL-OWCLPIDISA-N 2 2 363.524 0.126 10 0 FCAELP C[C@@H]1C[NH+](CCCCNS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)C[C@H](C)O1 ZINC000632099395 492928945 /nfs/dbraw/zinc/92/89/45/492928945.db2.gz IZVRFGDUOCSSOL-OWCLPIDISA-N 2 2 363.524 0.126 10 0 FCAELP CN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)C[C@@H]1C[NH+](C)CCO1 ZINC000632104585 492930487 /nfs/dbraw/zinc/93/04/87/492930487.db2.gz JUFGBTRKJYOBNO-ROUUACIJSA-N 2 2 367.515 0.853 10 0 FCAELP CN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)C[C@@H]1C[NH+](C)CCO1 ZINC000632104585 492930490 /nfs/dbraw/zinc/93/04/90/492930490.db2.gz JUFGBTRKJYOBNO-ROUUACIJSA-N 2 2 367.515 0.853 10 0 FCAELP CN([C@H]1CC[NH+](Cc2ccccc2)C1)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632104585 492930494 /nfs/dbraw/zinc/93/04/94/492930494.db2.gz JUFGBTRKJYOBNO-ROUUACIJSA-N 2 2 367.515 0.853 10 0 FCAELP CN([C@H]1CC[NH+](Cc2ccccc2)C1)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632104585 492930496 /nfs/dbraw/zinc/93/04/96/492930496.db2.gz JUFGBTRKJYOBNO-ROUUACIJSA-N 2 2 367.515 0.853 10 0 FCAELP C[C@@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)N1CC[NH2+]CC1=O ZINC000638301060 492930828 /nfs/dbraw/zinc/93/08/28/492930828.db2.gz ANBXVWCCHXVVNF-WMZOPIPTSA-N 2 2 374.485 0.214 10 0 FCAELP C[C@@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)N1CC[NH2+]CC1=O ZINC000638301060 492930833 /nfs/dbraw/zinc/93/08/33/492930833.db2.gz ANBXVWCCHXVVNF-WMZOPIPTSA-N 2 2 374.485 0.214 10 0 FCAELP C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000632127951 492935321 /nfs/dbraw/zinc/93/53/21/492935321.db2.gz MSNTZRHGKXJEMS-HYVNUMGLSA-N 2 2 357.520 0.596 10 0 FCAELP C[N@H+]1CCO[C@H](CS(=O)(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000632127951 492935323 /nfs/dbraw/zinc/93/53/23/492935323.db2.gz MSNTZRHGKXJEMS-HYVNUMGLSA-N 2 2 357.520 0.596 10 0 FCAELP C[NH+]1CCO[C@H](CS(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000632127951 492935324 /nfs/dbraw/zinc/93/53/24/492935324.db2.gz MSNTZRHGKXJEMS-HYVNUMGLSA-N 2 2 357.520 0.596 10 0 FCAELP C[NH+]1CCO[C@H](CS(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000632127951 492935326 /nfs/dbraw/zinc/93/53/26/492935326.db2.gz MSNTZRHGKXJEMS-HYVNUMGLSA-N 2 2 357.520 0.596 10 0 FCAELP CC(=O)NC[C@H]1CCCC[NH+]1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000626154796 492938968 /nfs/dbraw/zinc/93/89/68/492938968.db2.gz XNZZUDCXQFGYEB-QZTJIDSGSA-N 2 2 368.522 0.450 10 0 FCAELP CC(=O)NC[C@H]1CCCC[NH+]1CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000626154796 492938971 /nfs/dbraw/zinc/93/89/71/492938971.db2.gz XNZZUDCXQFGYEB-QZTJIDSGSA-N 2 2 368.522 0.450 10 0 FCAELP CC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000626154796 492938972 /nfs/dbraw/zinc/93/89/72/492938972.db2.gz XNZZUDCXQFGYEB-QZTJIDSGSA-N 2 2 368.522 0.450 10 0 FCAELP CC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000626154796 492938975 /nfs/dbraw/zinc/93/89/75/492938975.db2.gz XNZZUDCXQFGYEB-QZTJIDSGSA-N 2 2 368.522 0.450 10 0 FCAELP C[C@H](NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000632197041 492948098 /nfs/dbraw/zinc/94/80/98/492948098.db2.gz KOGYRUWZOUHXBV-UXLLHSPISA-N 2 2 359.536 0.889 10 0 FCAELP C[C@H](NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000632197041 492948103 /nfs/dbraw/zinc/94/81/03/492948103.db2.gz KOGYRUWZOUHXBV-UXLLHSPISA-N 2 2 359.536 0.889 10 0 FCAELP C[C@H](NS(=O)(=O)C[C@@H]1C[NH+](C)CCO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000632197041 492948108 /nfs/dbraw/zinc/94/81/08/492948108.db2.gz KOGYRUWZOUHXBV-UXLLHSPISA-N 2 2 359.536 0.889 10 0 FCAELP C[C@H](NS(=O)(=O)C[C@@H]1C[NH+](C)CCO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000632197041 492948112 /nfs/dbraw/zinc/94/81/12/492948112.db2.gz KOGYRUWZOUHXBV-UXLLHSPISA-N 2 2 359.536 0.889 10 0 FCAELP C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3ccccc3C[NH+]3CCOCC3)[C@H]2C1 ZINC000645626319 492949876 /nfs/dbraw/zinc/94/98/76/492949876.db2.gz YXDWOPABSXBOQD-AEFFLSMTSA-N 2 2 372.469 0.620 10 0 FCAELP C[N@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3ccccc3C[NH+]3CCOCC3)[C@H]2C1 ZINC000645626319 492949878 /nfs/dbraw/zinc/94/98/78/492949878.db2.gz YXDWOPABSXBOQD-AEFFLSMTSA-N 2 2 372.469 0.620 10 0 FCAELP Cc1c[nH+]ccc1OC1CCN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000632282880 492964507 /nfs/dbraw/zinc/96/45/07/492964507.db2.gz GMCJQAUZTMYSLX-INIZCTEOSA-N 2 2 369.487 0.894 10 0 FCAELP Cc1c[nH+]ccc1OC1CCN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000632282880 492964510 /nfs/dbraw/zinc/96/45/10/492964510.db2.gz GMCJQAUZTMYSLX-INIZCTEOSA-N 2 2 369.487 0.894 10 0 FCAELP CCO[C@@H]1CN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@H]1C[NH3+] ZINC000652580942 492969635 /nfs/dbraw/zinc/96/96/35/492969635.db2.gz IFDUJYLJHNYXGF-GDBMZVCRSA-N 2 2 366.466 0.043 10 0 FCAELP CCO[C@@H]1CN(C(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)C[C@H]1C[NH3+] ZINC000652667281 492982039 /nfs/dbraw/zinc/98/20/39/492982039.db2.gz LHZPUHDGWXMVIR-NVXWUHKLSA-N 2 2 371.441 0.311 10 0 FCAELP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000652690655 492991203 /nfs/dbraw/zinc/99/12/03/492991203.db2.gz LEZACDCPIIDGGI-GJZGRUSLSA-N 2 2 362.474 0.248 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@]3([NH3+])[C@H]4CCCO[C@H]4C3(C)C)C2)CC1 ZINC000645978177 492995178 /nfs/dbraw/zinc/99/51/78/492995178.db2.gz WCIRWUNJDPNZBT-UJAMICLKSA-N 3 2 364.534 0.804 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@]3([NH3+])[C@H]4CCCO[C@H]4C3(C)C)C2)CC1 ZINC000645978177 492995182 /nfs/dbraw/zinc/99/51/82/492995182.db2.gz WCIRWUNJDPNZBT-UJAMICLKSA-N 3 2 364.534 0.804 10 0 FCAELP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652711254 492997223 /nfs/dbraw/zinc/99/72/23/492997223.db2.gz NSORRYHNTHMNHI-HNNXBMFYSA-N 2 2 359.474 0.532 10 0 FCAELP CCC(CC)[C@@H](C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[NH+]1CCOCC1 ZINC000652735370 493011590 /nfs/dbraw/zinc/01/15/90/493011590.db2.gz IJCOLWBQENFVKT-SFHVURJKSA-N 2 2 368.522 0.356 10 0 FCAELP C[NH+]1CCC2(CC1)C[N@H+](CCNS(=O)(=O)c1ccccc1)CCO2 ZINC000646104711 493012593 /nfs/dbraw/zinc/01/25/93/493012593.db2.gz UOHBJLAYJKMNIB-UHFFFAOYSA-N 2 2 353.488 0.762 10 0 FCAELP C[NH+]1CCC2(CC1)C[N@@H+](CCNS(=O)(=O)c1ccccc1)CCO2 ZINC000646104711 493012596 /nfs/dbraw/zinc/01/25/96/493012596.db2.gz UOHBJLAYJKMNIB-UHFFFAOYSA-N 2 2 353.488 0.762 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1c2c(nn1C)CCCC2 ZINC000632548341 493026937 /nfs/dbraw/zinc/02/69/37/493026937.db2.gz KHJULHODIXYUMW-AWEZNQCLSA-N 2 2 371.551 0.849 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1c2c(nn1C)CCCC2 ZINC000632548341 493026941 /nfs/dbraw/zinc/02/69/41/493026941.db2.gz KHJULHODIXYUMW-AWEZNQCLSA-N 2 2 371.551 0.849 10 0 FCAELP C[NH2+]CCOCCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000626931337 493066978 /nfs/dbraw/zinc/06/69/78/493066978.db2.gz BTVASVBVIZYQAY-HUUCEWRRSA-N 2 2 365.478 0.730 10 0 FCAELP [NH3+]C1(CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CCOCC1 ZINC000626946160 493069487 /nfs/dbraw/zinc/06/94/87/493069487.db2.gz MEKPKOTUHBNVHB-MRXNPFEDSA-N 2 2 358.508 0.001 10 0 FCAELP C[C@H]1CC[C@@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[NH2+]1 ZINC000626958753 493070368 /nfs/dbraw/zinc/07/03/68/493070368.db2.gz PNMKENAZRDVGTQ-JKSUJKDBSA-N 2 2 374.489 0.560 10 0 FCAELP C[C@H]1CN(c2ccc(CNC(=O)[C@]34C[NH2+]C[C@H]3COC4)c[nH+]2)C[C@H](C)O1 ZINC000653108622 493071534 /nfs/dbraw/zinc/07/15/34/493071534.db2.gz BURHSTJFKPBOFF-PWDMQXDWSA-N 2 2 360.458 0.547 10 0 FCAELP CCC1([NH+](C)C)CCN(C(=O)C(=O)N(C)CC[NH+]2CCOCC2)CC1 ZINC000632724544 493077673 /nfs/dbraw/zinc/07/76/73/493077673.db2.gz KHJSOCHZSDZMTG-UHFFFAOYSA-N 2 2 354.495 0.110 10 0 FCAELP CCOC1CC(CNC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)([NH+]2CCOCC2)C1 ZINC000627020198 493081645 /nfs/dbraw/zinc/08/16/45/493081645.db2.gz BPMYRZGNZYNCOE-RSIVFMTNSA-N 2 2 354.495 0.696 10 0 FCAELP [NH3+][C@H]1CCCCCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000632918148 493096827 /nfs/dbraw/zinc/09/68/27/493096827.db2.gz USSUQGYFKWLLSS-HNNXBMFYSA-N 2 2 350.467 0.951 10 0 FCAELP [NH3+]CC[C@H](NC(=O)N1CC[NH+](CCc2cnccn2)CC1)C(F)(F)F ZINC000632953545 493098447 /nfs/dbraw/zinc/09/84/47/493098447.db2.gz XLHOXAOIQDUESB-ZDUSSCGKSA-N 2 2 360.384 0.626 10 0 FCAELP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633035596 493107716 /nfs/dbraw/zinc/10/77/16/493107716.db2.gz WQDRSQLRDARSBD-SFHVURJKSA-N 2 2 358.490 0.831 10 0 FCAELP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633035596 493107719 /nfs/dbraw/zinc/10/77/19/493107719.db2.gz WQDRSQLRDARSBD-SFHVURJKSA-N 2 2 358.490 0.831 10 0 FCAELP O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000627225282 493110864 /nfs/dbraw/zinc/11/08/64/493110864.db2.gz VQSZAEKULGEWTJ-KZNAEPCWSA-N 2 2 359.474 0.676 10 0 FCAELP O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000627225282 493110866 /nfs/dbraw/zinc/11/08/66/493110866.db2.gz VQSZAEKULGEWTJ-KZNAEPCWSA-N 2 2 359.474 0.676 10 0 FCAELP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000633076076 493115968 /nfs/dbraw/zinc/11/59/68/493115968.db2.gz GLIOYZPTYLTFHN-CVEARBPZSA-N 2 2 352.479 0.040 10 0 FCAELP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000633093181 493122298 /nfs/dbraw/zinc/12/22/98/493122298.db2.gz PEVRYTWSQWWXQR-CVEARBPZSA-N 2 2 352.479 0.040 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C[C@H]1C[NH3+] ZINC000633102504 493125891 /nfs/dbraw/zinc/12/58/91/493125891.db2.gz HPSHHBGMPSLNFM-GDBMZVCRSA-N 2 2 373.501 0.979 10 0 FCAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000627301434 493141413 /nfs/dbraw/zinc/14/14/13/493141413.db2.gz FMPIGVFPDKSFIL-ZWKOTPCHSA-N 2 2 374.485 0.392 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)Nc1ccc([C@H]3C[NH2+]CCO3)cc1)CC2 ZINC000659076311 493141433 /nfs/dbraw/zinc/14/14/33/493141433.db2.gz LPDQZORMVOOMSR-MRXNPFEDSA-N 2 2 369.425 0.833 10 0 FCAELP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C[NH2+]1 ZINC000627312354 493146432 /nfs/dbraw/zinc/14/64/32/493146432.db2.gz WTWPKAQPHQNLGJ-TZMCWYRMSA-N 2 2 359.405 0.884 10 0 FCAELP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)cc1 ZINC000627314350 493147721 /nfs/dbraw/zinc/14/77/21/493147721.db2.gz ADGLJHGNURXECL-XJKSGUPXSA-N 2 2 371.441 0.463 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)CCCN2 ZINC000659094167 493148746 /nfs/dbraw/zinc/14/87/46/493148746.db2.gz ICDFHMHZMIMGSP-UHFFFAOYSA-N 2 2 361.490 0.983 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)CCCN2 ZINC000659094167 493148748 /nfs/dbraw/zinc/14/87/48/493148748.db2.gz ICDFHMHZMIMGSP-UHFFFAOYSA-N 2 2 361.490 0.983 10 0 FCAELP C[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc2n(n1)CCCC2 ZINC000647293524 493190732 /nfs/dbraw/zinc/19/07/32/493190732.db2.gz MRUIUCOGMPCFEQ-CVEARBPZSA-N 2 2 361.490 0.803 10 0 FCAELP Cc1cc(NCCNC(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000627416807 493209098 /nfs/dbraw/zinc/20/90/98/493209098.db2.gz IDEFRYIVGYCKPV-OCCSQVGLSA-N 2 2 362.478 0.693 10 0 FCAELP CC(C)C[C@@H](CO)N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641642 493226835 /nfs/dbraw/zinc/22/68/35/493226835.db2.gz VIVMTILLGSIHAH-WBVHZDCISA-N 2 2 368.522 0.137 10 0 FCAELP CC(C)C[C@@H](CO)N(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641642 493226837 /nfs/dbraw/zinc/22/68/37/493226837.db2.gz VIVMTILLGSIHAH-WBVHZDCISA-N 2 2 368.522 0.137 10 0 FCAELP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)NC/C=C/C[NH3+])c2)CC1 ZINC000666942644 493239338 /nfs/dbraw/zinc/23/93/38/493239338.db2.gz BKLYWKQTFPGAPE-NSCUHMNNSA-N 2 2 367.475 0.259 10 0 FCAELP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000659677903 493247116 /nfs/dbraw/zinc/24/71/16/493247116.db2.gz UIIKYKLQUASEGZ-NILFDRSVSA-N 2 2 352.866 0.926 10 0 FCAELP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000659677903 493247119 /nfs/dbraw/zinc/24/71/19/493247119.db2.gz UIIKYKLQUASEGZ-NILFDRSVSA-N 2 2 352.866 0.926 10 0 FCAELP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000659681219 493249010 /nfs/dbraw/zinc/24/90/10/493249010.db2.gz YSYUPPGWJKDXBU-UHFFFAOYSA-N 2 2 372.469 0.085 10 0 FCAELP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccccc1 ZINC000659682927 493249771 /nfs/dbraw/zinc/24/97/71/493249771.db2.gz KHKCMWPDJGNLTO-KFWWJZLASA-N 2 2 359.405 0.523 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCN1C[C@@H]2CCCCN2C1=O ZINC000667034608 493252131 /nfs/dbraw/zinc/25/21/31/493252131.db2.gz QBNIVQVDQQDBLJ-INIZCTEOSA-N 2 2 368.526 0.459 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCN1C[C@@H]2CCCCN2C1=O ZINC000667034608 493252133 /nfs/dbraw/zinc/25/21/33/493252133.db2.gz QBNIVQVDQQDBLJ-INIZCTEOSA-N 2 2 368.526 0.459 10 0 FCAELP CN(C(=O)N[C@H]1CCNC1=O)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000667382126 493280436 /nfs/dbraw/zinc/28/04/36/493280436.db2.gz SBRMLIWDGYJZIP-YESZJQIVSA-N 2 2 365.522 0.854 10 0 FCAELP CN(C(=O)N[C@H]1CCNC1=O)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000667382126 493280437 /nfs/dbraw/zinc/28/04/37/493280437.db2.gz SBRMLIWDGYJZIP-YESZJQIVSA-N 2 2 365.522 0.854 10 0 FCAELP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000659744485 493282809 /nfs/dbraw/zinc/28/28/09/493282809.db2.gz WVPWWJWLVFIJCK-RDYUPDBUSA-N 2 2 371.485 0.794 10 0 FCAELP CCN1OC[C@@H]([NH+]2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)C1=O ZINC000682677966 493316372 /nfs/dbraw/zinc/31/63/72/493316372.db2.gz YPGCJKJTKBMJCN-MRXNPFEDSA-N 2 2 352.479 0.415 10 0 FCAELP CC[NH+](CC)CCS(=O)(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000660036231 493318067 /nfs/dbraw/zinc/31/80/67/493318067.db2.gz LAPBMMOQONIZIU-HZPDHXFCSA-N 2 2 359.536 0.891 10 0 FCAELP COCCN(C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCOC1 ZINC000683836128 493373250 /nfs/dbraw/zinc/37/32/50/493373250.db2.gz YHAUIVLYWXJPOV-RDJZCZTQSA-N 2 2 354.495 0.602 10 0 FCAELP COCCN(C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCOC1 ZINC000683836128 493373252 /nfs/dbraw/zinc/37/32/52/493373252.db2.gz YHAUIVLYWXJPOV-RDJZCZTQSA-N 2 2 354.495 0.602 10 0 FCAELP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000668552155 493375620 /nfs/dbraw/zinc/37/56/20/493375620.db2.gz FVOMGSWXEXZRKG-OAHLLOKOSA-N 2 2 361.490 0.867 10 0 FCAELP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000668552155 493375623 /nfs/dbraw/zinc/37/56/23/493375623.db2.gz FVOMGSWXEXZRKG-OAHLLOKOSA-N 2 2 361.490 0.867 10 0 FCAELP CO[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCOC1 ZINC000660711727 493375707 /nfs/dbraw/zinc/37/57/07/493375707.db2.gz GENCTQJPDXQBDY-ZMSDIMECSA-N 2 2 354.495 0.506 10 0 FCAELP CO[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCOC1 ZINC000660711727 493375711 /nfs/dbraw/zinc/37/57/11/493375711.db2.gz GENCTQJPDXQBDY-ZMSDIMECSA-N 2 2 354.495 0.506 10 0 FCAELP CN(C(=O)CN1CCN(C2CC2)C1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668618297 493385658 /nfs/dbraw/zinc/38/56/58/493385658.db2.gz PTJOXJNAMMUZCO-QGZVFWFLSA-N 2 2 363.506 0.513 10 0 FCAELP CN(C(=O)CN1CCN(C2CC2)C1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668618297 493385659 /nfs/dbraw/zinc/38/56/59/493385659.db2.gz PTJOXJNAMMUZCO-QGZVFWFLSA-N 2 2 363.506 0.513 10 0 FCAELP CCOC1CC(CNC(=O)N(C)CC2C[NH+](C)C2)([NH+]2CCOCC2)C1 ZINC000661071321 493407343 /nfs/dbraw/zinc/40/73/43/493407343.db2.gz GIBAJOROIDBJMY-UHFFFAOYSA-N 2 2 354.495 0.459 10 0 FCAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661143815 493411852 /nfs/dbraw/zinc/41/18/52/493411852.db2.gz WGONZPVRWBEFMG-IRXDYDNUSA-N 2 2 369.473 0.732 10 0 FCAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661143815 493411854 /nfs/dbraw/zinc/41/18/54/493411854.db2.gz WGONZPVRWBEFMG-IRXDYDNUSA-N 2 2 369.473 0.732 10 0 FCAELP CCN(C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)[C@@H]1CC[N@H+](CC)C1 ZINC000668868202 493425683 /nfs/dbraw/zinc/42/56/83/493425683.db2.gz ZYOSZZBEGSANMN-CYBMUJFWSA-N 2 2 350.467 0.045 10 0 FCAELP CCN(C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)[C@@H]1CC[N@@H+](CC)C1 ZINC000668868202 493425685 /nfs/dbraw/zinc/42/56/85/493425685.db2.gz ZYOSZZBEGSANMN-CYBMUJFWSA-N 2 2 350.467 0.045 10 0 FCAELP CO[C@]1(CO)CCC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000661394921 493433708 /nfs/dbraw/zinc/43/37/08/493433708.db2.gz IYQFRPHDRLTXCO-GOSISDBHSA-N 2 2 367.515 0.866 10 0 FCAELP CO[C@]1(CO)CCC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000661394921 493433710 /nfs/dbraw/zinc/43/37/10/493433710.db2.gz IYQFRPHDRLTXCO-GOSISDBHSA-N 2 2 367.515 0.866 10 0 FCAELP CO[C@]1(CO)CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000661393807 493433873 /nfs/dbraw/zinc/43/38/73/493433873.db2.gz XHTFNXOOTVZOLD-GOSISDBHSA-N 2 2 367.515 0.866 10 0 FCAELP CO[C@]1(CO)CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000661393807 493433877 /nfs/dbraw/zinc/43/38/77/493433877.db2.gz XHTFNXOOTVZOLD-GOSISDBHSA-N 2 2 367.515 0.866 10 0 FCAELP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000661396945 493434230 /nfs/dbraw/zinc/43/42/30/493434230.db2.gz OEQKOYZBOJLIME-ZBFHGGJFSA-N 2 2 365.522 0.854 10 0 FCAELP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000661396945 493434233 /nfs/dbraw/zinc/43/42/33/493434233.db2.gz OEQKOYZBOJLIME-ZBFHGGJFSA-N 2 2 365.522 0.854 10 0 FCAELP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](CCCOC(C)(C)C)CC2)CC1 ZINC000674908786 493458948 /nfs/dbraw/zinc/45/89/48/493458948.db2.gz UPAHSRIFEGRZQQ-UHFFFAOYSA-N 2 2 362.540 0.301 10 0 FCAELP Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](C[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000662255284 493500988 /nfs/dbraw/zinc/50/09/88/493500988.db2.gz BTHQNKWFYWDLPO-SJORKVTESA-N 2 2 367.515 0.974 10 0 FCAELP Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](C[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000662255284 493500991 /nfs/dbraw/zinc/50/09/91/493500991.db2.gz BTHQNKWFYWDLPO-SJORKVTESA-N 2 2 367.515 0.974 10 0 FCAELP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320514 493506157 /nfs/dbraw/zinc/50/61/57/493506157.db2.gz BXTDWJQEKDWKSE-OWCLPIDISA-N 2 2 354.495 0.141 10 0 FCAELP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320514 493506159 /nfs/dbraw/zinc/50/61/59/493506159.db2.gz BXTDWJQEKDWKSE-OWCLPIDISA-N 2 2 354.495 0.141 10 0 FCAELP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662406030 493513462 /nfs/dbraw/zinc/51/34/62/493513462.db2.gz SHAHAKSXVHPVCO-CXAGYDPISA-N 2 2 365.503 0.424 10 0 FCAELP COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C1 ZINC000669633481 493516899 /nfs/dbraw/zinc/51/68/99/493516899.db2.gz BSTHRXINPANGAL-INIZCTEOSA-N 2 2 364.471 0.930 10 0 FCAELP COCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C1 ZINC000669633481 493516902 /nfs/dbraw/zinc/51/69/02/493516902.db2.gz BSTHRXINPANGAL-INIZCTEOSA-N 2 2 364.471 0.930 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)c2cn(CC[NH3+])nn2)[C@H]1c1ccc(F)c(F)c1 ZINC000662508754 493522394 /nfs/dbraw/zinc/52/23/94/493522394.db2.gz DYFVHQGLIASLSK-DZGCQCFKSA-N 2 2 350.373 0.690 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)c2cn(CC[NH3+])nn2)[C@H]1c1ccc(F)c(F)c1 ZINC000662508754 493522398 /nfs/dbraw/zinc/52/23/98/493522398.db2.gz DYFVHQGLIASLSK-DZGCQCFKSA-N 2 2 350.373 0.690 10 0 FCAELP CN(C)c1ccc(CNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c[nH+]1 ZINC000676090619 493522885 /nfs/dbraw/zinc/52/28/85/493522885.db2.gz VMKNBTSXOBTRBL-UHFFFAOYSA-N 2 2 365.397 0.983 10 0 FCAELP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662941193 493557747 /nfs/dbraw/zinc/55/77/47/493557747.db2.gz SZTYEHQAHPNLCE-VNSJNIRKSA-N 2 2 362.499 0.903 10 0 FCAELP O=C(CC[NH+]1CCN(c2ccccc2)CC1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000670408950 493562718 /nfs/dbraw/zinc/56/27/18/493562718.db2.gz AKAARHNZHJHLOL-FQEVSTJZSA-N 2 2 371.529 0.705 10 0 FCAELP O=C(CC[NH+]1CCN(c2ccccc2)CC1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000670408950 493562720 /nfs/dbraw/zinc/56/27/20/493562720.db2.gz AKAARHNZHJHLOL-FQEVSTJZSA-N 2 2 371.529 0.705 10 0 FCAELP C[NH+]1CCN([C@@H](C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c2ccccc2)CC1 ZINC000670447001 493568687 /nfs/dbraw/zinc/56/86/87/493568687.db2.gz CCVFRENATXKVOW-VQTJNVASSA-N 2 2 371.529 0.481 10 0 FCAELP C[NH+]1CCN([C@@H](C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)c2ccccc2)CC1 ZINC000670447001 493568690 /nfs/dbraw/zinc/56/86/90/493568690.db2.gz CCVFRENATXKVOW-VQTJNVASSA-N 2 2 371.529 0.481 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC3CCCCC3)C2)CC1 ZINC000670480942 493572587 /nfs/dbraw/zinc/57/25/87/493572587.db2.gz ZXOMQSKTZMPSCN-INIZCTEOSA-N 2 2 350.507 0.968 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC3CCCCC3)C2)CC1 ZINC000670480942 493572588 /nfs/dbraw/zinc/57/25/88/493572588.db2.gz ZXOMQSKTZMPSCN-INIZCTEOSA-N 2 2 350.507 0.968 10 0 FCAELP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000670533293 493577679 /nfs/dbraw/zinc/57/76/79/493577679.db2.gz BRBNBHZPIOKNFW-ZWKOTPCHSA-N 2 2 374.485 0.214 10 0 FCAELP C[N@H+]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000670533293 493577682 /nfs/dbraw/zinc/57/76/82/493577682.db2.gz BRBNBHZPIOKNFW-ZWKOTPCHSA-N 2 2 374.485 0.214 10 0 FCAELP C[NH+]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000670533293 493577684 /nfs/dbraw/zinc/57/76/84/493577684.db2.gz BRBNBHZPIOKNFW-ZWKOTPCHSA-N 2 2 374.485 0.214 10 0 FCAELP C[NH+]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000670533293 493577687 /nfs/dbraw/zinc/57/76/87/493577687.db2.gz BRBNBHZPIOKNFW-ZWKOTPCHSA-N 2 2 374.485 0.214 10 0 FCAELP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1)c1cccc(F)c1 ZINC000670735944 493593078 /nfs/dbraw/zinc/59/30/78/493593078.db2.gz RDHANNSYALURSW-HZPDHXFCSA-N 2 2 373.432 0.975 10 0 FCAELP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1)c1cccc(F)c1 ZINC000670735944 493593081 /nfs/dbraw/zinc/59/30/81/493593081.db2.gz RDHANNSYALURSW-HZPDHXFCSA-N 2 2 373.432 0.975 10 0 FCAELP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1)c1cccc(F)c1 ZINC000670735943 493593097 /nfs/dbraw/zinc/59/30/97/493593097.db2.gz RDHANNSYALURSW-HOTGVXAUSA-N 2 2 373.432 0.975 10 0 FCAELP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1)c1cccc(F)c1 ZINC000670735943 493593099 /nfs/dbraw/zinc/59/30/99/493593099.db2.gz RDHANNSYALURSW-HOTGVXAUSA-N 2 2 373.432 0.975 10 0 FCAELP C[C@H]([C@H](C)NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[NH+]1CCOCC1 ZINC000664006627 493630056 /nfs/dbraw/zinc/63/00/56/493630056.db2.gz JPEGYXRHGSOMFY-BBWFWOEESA-N 2 2 356.511 0.848 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000671101463 493633702 /nfs/dbraw/zinc/63/37/02/493633702.db2.gz QPSDJROOOABIMW-SJORKVTESA-N 2 2 371.485 0.782 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000671101463 493633703 /nfs/dbraw/zinc/63/37/03/493633703.db2.gz QPSDJROOOABIMW-SJORKVTESA-N 2 2 371.485 0.782 10 0 FCAELP COC1CC[NH+](CCNC(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC1 ZINC000678679579 493654717 /nfs/dbraw/zinc/65/47/17/493654717.db2.gz NHJVGQRNEFRGQM-UHFFFAOYSA-N 2 2 359.430 0.808 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)Nc1nccnc1N[C@@H](C)C[NH+]1CCOCC1 ZINC000679390321 493678131 /nfs/dbraw/zinc/67/81/31/493678131.db2.gz YKAKQFITLFZRAM-HOTGVXAUSA-N 2 2 364.494 0.742 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)Nc1nccnc1N[C@H](C)C[NH+]1CCOCC1 ZINC000679390322 493678145 /nfs/dbraw/zinc/67/81/45/493678145.db2.gz YKAKQFITLFZRAM-HZPDHXFCSA-N 2 2 364.494 0.742 10 0 FCAELP O=C(C[N@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O)NC1CC[NH+](C2CC2)CC1 ZINC000671532319 493682192 /nfs/dbraw/zinc/68/21/92/493682192.db2.gz LNYHJLRZTCIKCX-OTWHNJEPSA-N 2 2 365.518 0.981 10 0 FCAELP O=C(C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O)NC1CC[NH+](C2CC2)CC1 ZINC000671532319 493682193 /nfs/dbraw/zinc/68/21/93/493682193.db2.gz LNYHJLRZTCIKCX-OTWHNJEPSA-N 2 2 365.518 0.981 10 0 FCAELP CC(C)[NH+](C[C@H](O)C[N@H+](C[C@H]1CCC(=O)N1)C(C)C)C[C@@H]1CCC(=O)N1 ZINC000664783271 493682987 /nfs/dbraw/zinc/68/29/87/493682987.db2.gz GDFYRNHWQCFIMT-BJWYYQGGSA-N 2 2 368.522 0.325 10 0 FCAELP CC(C)[NH+](C[C@H](O)C[N@@H+](C[C@H]1CCC(=O)N1)C(C)C)C[C@@H]1CCC(=O)N1 ZINC000664783271 493682990 /nfs/dbraw/zinc/68/29/90/493682990.db2.gz GDFYRNHWQCFIMT-BJWYYQGGSA-N 2 2 368.522 0.325 10 0 FCAELP CC(C)[NH+](C[C@@H](O)C[N@H+](C[C@@H]1CCC(=O)N1)C(C)C)C[C@H]1CCC(=O)N1 ZINC000664783271 493682991 /nfs/dbraw/zinc/68/29/91/493682991.db2.gz GDFYRNHWQCFIMT-BJWYYQGGSA-N 2 2 368.522 0.325 10 0 FCAELP CC(C)[NH+](C[C@@H](O)C[N@@H+](C[C@@H]1CCC(=O)N1)C(C)C)C[C@H]1CCC(=O)N1 ZINC000664783271 493682994 /nfs/dbraw/zinc/68/29/94/493682994.db2.gz GDFYRNHWQCFIMT-BJWYYQGGSA-N 2 2 368.522 0.325 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1nc([C@H]2CCCO2)n[nH]1 ZINC000665252657 493706707 /nfs/dbraw/zinc/70/67/07/493706707.db2.gz VQSMBFZWQBUFAV-CYBMUJFWSA-N 2 2 353.471 0.339 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1nc([C@H]2CCCO2)n[nH]1 ZINC000665252657 493706710 /nfs/dbraw/zinc/70/67/10/493706710.db2.gz VQSMBFZWQBUFAV-CYBMUJFWSA-N 2 2 353.471 0.339 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000665759048 493732907 /nfs/dbraw/zinc/73/29/07/493732907.db2.gz XWNILXVOGJEJGA-ZWKOTPCHSA-N 3 2 369.554 0.765 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000665759048 493732909 /nfs/dbraw/zinc/73/29/09/493732909.db2.gz XWNILXVOGJEJGA-ZWKOTPCHSA-N 3 2 369.554 0.765 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000665759048 493732912 /nfs/dbraw/zinc/73/29/12/493732912.db2.gz XWNILXVOGJEJGA-ZWKOTPCHSA-N 2 2 369.554 0.765 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000665759048 493732913 /nfs/dbraw/zinc/73/29/13/493732913.db2.gz XWNILXVOGJEJGA-ZWKOTPCHSA-N 2 2 369.554 0.765 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC[NH+]1C[C@@H](C)OC[C@@H]1C ZINC000665763479 493735543 /nfs/dbraw/zinc/73/55/43/493735543.db2.gz BUEJJGGTEZMTIJ-YESZJQIVSA-N 3 2 357.543 0.667 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC[NH+]1C[C@@H](C)OC[C@@H]1C ZINC000665763479 493735545 /nfs/dbraw/zinc/73/55/45/493735545.db2.gz BUEJJGGTEZMTIJ-YESZJQIVSA-N 3 2 357.543 0.667 10 0 FCAELP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000665763479 493735548 /nfs/dbraw/zinc/73/55/48/493735548.db2.gz BUEJJGGTEZMTIJ-YESZJQIVSA-N 3 2 357.543 0.667 10 0 FCAELP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000665763479 493735550 /nfs/dbraw/zinc/73/55/50/493735550.db2.gz BUEJJGGTEZMTIJ-YESZJQIVSA-N 3 2 357.543 0.667 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCCN1C[C@@H](C)OC[C@@H]1C ZINC000665763479 493735552 /nfs/dbraw/zinc/73/55/52/493735552.db2.gz BUEJJGGTEZMTIJ-YESZJQIVSA-N 2 2 357.543 0.667 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCCN1C[C@@H](C)OC[C@@H]1C ZINC000665763479 493735554 /nfs/dbraw/zinc/73/55/54/493735554.db2.gz BUEJJGGTEZMTIJ-YESZJQIVSA-N 2 2 357.543 0.667 10 0 FCAELP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000190034581 533866270 /nfs/dbraw/zinc/86/62/70/533866270.db2.gz ZAYUWGCKNZJURC-HNNXBMFYSA-N 2 2 362.474 0.520 10 0 FCAELP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000190034581 533866277 /nfs/dbraw/zinc/86/62/77/533866277.db2.gz ZAYUWGCKNZJURC-HNNXBMFYSA-N 2 2 362.474 0.520 10 0 FCAELP OC(C[NH+]1CCC[C@H](n2cncn2)C1)C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000194488993 534336269 /nfs/dbraw/zinc/33/62/69/534336269.db2.gz UDHBNKKEMNEDKC-HOTGVXAUSA-N 2 2 360.466 0.205 10 0 FCAELP OC(C[NH+]1CCC[C@H](n2cncn2)C1)C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000194488993 534336273 /nfs/dbraw/zinc/33/62/73/534336273.db2.gz UDHBNKKEMNEDKC-HOTGVXAUSA-N 2 2 360.466 0.205 10 0 FCAELP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000263238829 529038251 /nfs/dbraw/zinc/03/82/51/529038251.db2.gz KKUXLDQFMYXDHL-KRWDZBQOSA-N 3 2 367.538 0.152 10 0 FCAELP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000419975701 535068314 /nfs/dbraw/zinc/06/83/14/535068314.db2.gz LORBSDCXLCWVGY-MRXNPFEDSA-N 3 2 367.538 0.152 10 0 FCAELP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000419709418 535068673 /nfs/dbraw/zinc/06/86/73/535068673.db2.gz JTVKIWPQNDOUQV-MRXNPFEDSA-N 2 2 366.893 0.914 10 0 FCAELP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000419709418 535068689 /nfs/dbraw/zinc/06/86/89/535068689.db2.gz JTVKIWPQNDOUQV-MRXNPFEDSA-N 2 2 366.893 0.914 10 0 FCAELP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000423247063 535210181 /nfs/dbraw/zinc/21/01/81/535210181.db2.gz KPQDRXLCQAPJLX-SJORKVTESA-N 2 2 368.522 0.532 10 0 FCAELP CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1)C(=O)OC ZINC000592184050 546618316 /nfs/dbraw/zinc/61/83/16/546618316.db2.gz YAEBVVSIXBRLLA-GOEBONIOSA-N 2 2 355.479 0.487 10 0 FCAELP CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1)C(=O)OC ZINC000592184050 546618318 /nfs/dbraw/zinc/61/83/18/546618318.db2.gz YAEBVVSIXBRLLA-GOEBONIOSA-N 2 2 355.479 0.487 10 0 FCAELP C[C@H](CNC(=O)NCCCC[NH+]1CCOCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654377772 547322872 /nfs/dbraw/zinc/32/28/72/547322872.db2.gz XEVIWVQKIOOLRK-ZACQAIPSSA-N 2 2 356.511 0.896 10 0 FCAELP C[C@H](CNC(=O)NCCCC[NH+]1CCOCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654377772 547322875 /nfs/dbraw/zinc/32/28/75/547322875.db2.gz XEVIWVQKIOOLRK-ZACQAIPSSA-N 2 2 356.511 0.896 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3C[C@@H]4CSC[C@@H]4C3)C2)CC1 ZINC000897721495 665765937 /nfs/dbraw/zinc/76/59/37/665765937.db2.gz PTFLBCZYEWAVAL-ZNMIVQPWSA-N 2 2 366.531 0.093 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3C[C@@H]4CSC[C@@H]4C3)C2)CC1 ZINC000897721495 665765941 /nfs/dbraw/zinc/76/59/41/665765941.db2.gz PTFLBCZYEWAVAL-ZNMIVQPWSA-N 2 2 366.531 0.093 10 0 FCAELP C[C@@H]1[C@@H]([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CO[C@H]1C ZINC000924723304 665870007 /nfs/dbraw/zinc/87/00/07/665870007.db2.gz QLOVVVJMTUFWMW-JYJNAYRXSA-N 2 2 368.503 0.546 10 0 FCAELP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H](O)C3(S(=O)(=O)NC(C)(C)C)CCC3)C[C@]2(C)C1 ZINC000933733380 663438203 /nfs/dbraw/zinc/43/82/03/663438203.db2.gz RSVMTYQVQUDPIL-INMHGKMJSA-N 2 2 373.563 0.871 10 0 FCAELP C[N@H+]1C[C@@H]2C[NH+](C[C@@H](O)C3(S(=O)(=O)NC(C)(C)C)CCC3)C[C@]2(C)C1 ZINC000933733380 663438212 /nfs/dbraw/zinc/43/82/12/663438212.db2.gz RSVMTYQVQUDPIL-INMHGKMJSA-N 2 2 373.563 0.871 10 0 FCAELP C[NH+]1C[C@@H]2C[N@H+](C[C@@H](O)C3(S(=O)(=O)NC(C)(C)C)CCC3)C[C@]2(C)C1 ZINC000933733380 663438214 /nfs/dbraw/zinc/43/82/14/663438214.db2.gz RSVMTYQVQUDPIL-INMHGKMJSA-N 2 2 373.563 0.871 10 0 FCAELP C[C@H](NC(=O)C1C[NH+]([C@@H]2CCOC2)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000896685945 665103182 /nfs/dbraw/zinc/10/31/82/665103182.db2.gz MIPNFPZBLJLRON-DOTOQJQBSA-N 2 2 351.491 0.857 10 0 FCAELP C[C@@H]1CN(C(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)[C@@H](C)C[N@@H+]1CCO ZINC000925169361 665177284 /nfs/dbraw/zinc/17/72/84/665177284.db2.gz CEFAQYFGCYMUGF-QXSJWSMHSA-N 2 2 356.536 0.663 10 0 FCAELP C[C@@H]1CN(C(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)[C@@H](C)C[N@H+]1CCO ZINC000925169361 665177287 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10 0 FCAELP CC[C@@H](CO)[NH+]1CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC000901147299 675764087 /nfs/dbraw/zinc/76/40/87/675764087.db2.gz PLQHBHMQGJAAIW-ADKAHSJRSA-N 2 2 353.507 0.793 10 0 FCAELP CN(C(=O)[C@H](O)C(C)(C)O)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000901201677 675769722 /nfs/dbraw/zinc/76/97/22/675769722.db2.gz SBHAUHIYIXQVIR-ZACQAIPSSA-N 2 2 355.523 0.914 10 0 FCAELP CN(C(=O)[C@H](O)C(C)(C)O)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000901201677 675769724 /nfs/dbraw/zinc/76/97/24/675769724.db2.gz SBHAUHIYIXQVIR-ZACQAIPSSA-N 2 2 355.523 0.914 10 0 FCAELP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000897488962 1192195146 /nfs/dbraw/zinc/19/51/46/1192195146.db2.gz PXADAPJVWLRTKX-ROUUACIJSA-N 2 2 358.486 0.978 10 0 FCAELP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000897488962 1192195152 /nfs/dbraw/zinc/19/51/52/1192195152.db2.gz PXADAPJVWLRTKX-ROUUACIJSA-N 2 2 358.486 0.978 10 0 FCAELP CC[NH+]1CC[C@H]1CNC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000897488962 1192195158 /nfs/dbraw/zinc/19/51/58/1192195158.db2.gz PXADAPJVWLRTKX-ROUUACIJSA-N 2 2 358.486 0.978 10 0 FCAELP CC[C@H](CO)[NH+]1CCN(CC[C@H](C)[NH+]2CCN([C@@H](CC)CO)CC2)CC1 ZINC000153627404 1168356791 /nfs/dbraw/zinc/35/67/91/1168356791.db2.gz CYVYIQDQDSAKMD-ZCNNSNEGSA-N 2 2 370.582 0.542 10 0 FCAELP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000897526723 1192371502 /nfs/dbraw/zinc/37/15/02/1192371502.db2.gz IVOKWEMEDNYRNK-HNNXBMFYSA-N 2 2 356.430 0.402 10 0 FCAELP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000897526723 1192371505 /nfs/dbraw/zinc/37/15/05/1192371505.db2.gz IVOKWEMEDNYRNK-HNNXBMFYSA-N 2 2 356.430 0.402 10 0 FCAELP CC(C)[N@H+](C)CC(=O)N1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC001719624879 1170788817 /nfs/dbraw/zinc/78/88/17/1170788817.db2.gz AEUYVPALULHYIR-INMHGKMJSA-N 2 2 361.490 0.891 10 0 FCAELP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC001719624879 1170788825 /nfs/dbraw/zinc/78/88/25/1170788825.db2.gz AEUYVPALULHYIR-INMHGKMJSA-N 2 2 361.490 0.891 10 0 FCAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CCNC(=O)NC(C)(C)C ZINC001266970979 1171174803 /nfs/dbraw/zinc/17/48/03/1171174803.db2.gz ISMVRYWWYGUONG-BFHYXJOUSA-N 2 2 364.494 0.716 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)NCCc2cn(C)c[nH+]2)CCN1c1cc[nH+]cc1 ZINC000898062332 1192856433 /nfs/dbraw/zinc/85/64/33/1192856433.db2.gz MOPQVKLEVXZDSY-CQSZACIVSA-N 2 2 356.430 0.211 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)NCCc2cn(C)c[nH+]2)CCN1c1cc[nH+]cc1 ZINC000898062331 1192856488 /nfs/dbraw/zinc/85/64/88/1192856488.db2.gz MOPQVKLEVXZDSY-AWEZNQCLSA-N 2 2 356.430 0.211 10 0 FCAELP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC000898157233 1192861285 /nfs/dbraw/zinc/86/12/85/1192861285.db2.gz NRLGSOCIOMLKOS-MSOLQXFVSA-N 2 2 358.486 0.896 10 0 FCAELP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC000898157233 1192861287 /nfs/dbraw/zinc/86/12/87/1192861287.db2.gz NRLGSOCIOMLKOS-MSOLQXFVSA-N 2 2 358.486 0.896 10 0 FCAELP CC[NH+]1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000898157233 1192861290 /nfs/dbraw/zinc/86/12/90/1192861290.db2.gz NRLGSOCIOMLKOS-MSOLQXFVSA-N 2 2 358.486 0.896 10 0 FCAELP CC[NH+]1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000898157233 1192861292 /nfs/dbraw/zinc/86/12/92/1192861292.db2.gz NRLGSOCIOMLKOS-MSOLQXFVSA-N 2 2 358.486 0.896 10 0 FCAELP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1Cc1ccc(OC)cc1 ZINC000898137110 1192862587 /nfs/dbraw/zinc/86/25/87/1192862587.db2.gz LPNYTTDHMAQCGE-SJORKVTESA-N 2 2 374.485 0.596 10 0 FCAELP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1Cc1ccc(OC)cc1 ZINC000898137110 1192862588 /nfs/dbraw/zinc/86/25/88/1192862588.db2.gz LPNYTTDHMAQCGE-SJORKVTESA-N 2 2 374.485 0.596 10 0 FCAELP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000898137110 1192862590 /nfs/dbraw/zinc/86/25/90/1192862590.db2.gz LPNYTTDHMAQCGE-SJORKVTESA-N 2 2 374.485 0.596 10 0 FCAELP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000898137110 1192862592 /nfs/dbraw/zinc/86/25/92/1192862592.db2.gz LPNYTTDHMAQCGE-SJORKVTESA-N 2 2 374.485 0.596 10 0 FCAELP CN(CC[NH2+]CC[C@@H]1CCCO1)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001267407834 1180481491 /nfs/dbraw/zinc/48/14/91/1180481491.db2.gz SMLRLPXJADPFPE-KSZLIROESA-N 2 2 369.506 0.483 10 0 FCAELP CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001267541627 1181724645 /nfs/dbraw/zinc/72/46/45/1181724645.db2.gz FEUSKJLXJGPOOY-SOUVJXGZSA-N 2 2 367.494 0.225 10 0 FCAELP CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001267541627 1181724654 /nfs/dbraw/zinc/72/46/54/1181724654.db2.gz FEUSKJLXJGPOOY-SOUVJXGZSA-N 2 2 367.494 0.225 10 0 FCAELP CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[C@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001267541627 1181724661 /nfs/dbraw/zinc/72/46/61/1181724661.db2.gz FEUSKJLXJGPOOY-SOUVJXGZSA-N 2 2 367.494 0.225 10 0 FCAELP CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)[C@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001267541627 1181724671 /nfs/dbraw/zinc/72/46/71/1181724671.db2.gz FEUSKJLXJGPOOY-SOUVJXGZSA-N 2 2 367.494 0.225 10 0 FCAELP CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001267541626 1181725071 /nfs/dbraw/zinc/72/50/71/1181725071.db2.gz FEUSKJLXJGPOOY-QLFBSQMISA-N 2 2 367.494 0.225 10 0 FCAELP CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001267541626 1181725077 /nfs/dbraw/zinc/72/50/77/1181725077.db2.gz FEUSKJLXJGPOOY-QLFBSQMISA-N 2 2 367.494 0.225 10 0 FCAELP CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[C@@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001267541626 1181725085 /nfs/dbraw/zinc/72/50/85/1181725085.db2.gz FEUSKJLXJGPOOY-QLFBSQMISA-N 2 2 367.494 0.225 10 0 FCAELP CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)[C@@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001267541626 1181725093 /nfs/dbraw/zinc/72/50/93/1181725093.db2.gz FEUSKJLXJGPOOY-QLFBSQMISA-N 2 2 367.494 0.225 10 0 FCAELP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001267803564 1183061198 /nfs/dbraw/zinc/06/11/98/1183061198.db2.gz BMCBDHNMXGAITJ-UMVBOHGHSA-N 2 2 360.462 0.347 10 0 FCAELP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001267803564 1183061205 /nfs/dbraw/zinc/06/12/05/1183061205.db2.gz BMCBDHNMXGAITJ-UMVBOHGHSA-N 2 2 360.462 0.347 10 0 FCAELP CC[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[NH2+]Cc1nnn(C)n1 ZINC001267820865 1183088064 /nfs/dbraw/zinc/08/80/64/1183088064.db2.gz WMRPOYPNQZUIFA-ZACQAIPSSA-N 2 2 371.489 0.540 10 0 FCAELP CC[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)[NH2+]Cc1nnn(C)n1 ZINC001267820865 1183088072 /nfs/dbraw/zinc/08/80/72/1183088072.db2.gz WMRPOYPNQZUIFA-ZACQAIPSSA-N 2 2 371.489 0.540 10 0 FCAELP CN(CC[NH2+]CC[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001481281386 1183161891 /nfs/dbraw/zinc/16/18/91/1183161891.db2.gz MJPJBLCQCDKQNQ-RRFJBIMHSA-N 2 2 368.503 0.396 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CCCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001481526032 1186240372 /nfs/dbraw/zinc/24/03/72/1186240372.db2.gz PWZYQFRACHCPOP-OWCLPIDISA-N 2 2 359.536 0.732 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CCCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001481526032 1186240378 /nfs/dbraw/zinc/24/03/78/1186240378.db2.gz PWZYQFRACHCPOP-OWCLPIDISA-N 2 2 359.536 0.732 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCCS(C)(=O)=O)C2)CC[NH+]1C ZINC001481526032 1186240383 /nfs/dbraw/zinc/24/03/83/1186240383.db2.gz PWZYQFRACHCPOP-OWCLPIDISA-N 2 2 359.536 0.732 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCCS(C)(=O)=O)C2)CC[NH+]1C ZINC001481526032 1186240389 /nfs/dbraw/zinc/24/03/89/1186240389.db2.gz PWZYQFRACHCPOP-OWCLPIDISA-N 2 2 359.536 0.732 10 0 FCAELP C[C@H](C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1)CS(C)(=O)=O ZINC001670798224 1187716930 /nfs/dbraw/zinc/71/69/30/1187716930.db2.gz XIRLKMODZQSXMT-JHJVBQTASA-N 2 2 354.476 0.432 10 0 FCAELP C[C@H](C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1)CS(C)(=O)=O ZINC001670798224 1187716937 /nfs/dbraw/zinc/71/69/37/1187716937.db2.gz XIRLKMODZQSXMT-JHJVBQTASA-N 2 2 354.476 0.432 10 0 FCAELP CN(CC1CC1)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001270076246 1187995091 /nfs/dbraw/zinc/99/50/91/1187995091.db2.gz NWSPGQRGCZYEDW-BZUAXINKSA-N 2 2 359.474 0.962 10 0 FCAELP CN(CC1CC1)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001270076246 1187995099 /nfs/dbraw/zinc/99/50/99/1187995099.db2.gz NWSPGQRGCZYEDW-BZUAXINKSA-N 2 2 359.474 0.962 10 0 FCAELP C[C@H](C[NH2+]CC(=O)NC1CCOCC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001482296641 1188193627 /nfs/dbraw/zinc/19/36/27/1188193627.db2.gz LGAKEWWIMDPPKI-BPLDGKMQSA-N 2 2 363.462 0.245 10 0 FCAELP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000550032312 1188213530 /nfs/dbraw/zinc/21/35/30/1188213530.db2.gz KCSZLEOMYCZKNP-SFHVURJKSA-N 2 2 358.486 0.582 10 0 FCAELP CO[C@H](C)C[NH2+]C1CCN(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001271925391 1190765893 /nfs/dbraw/zinc/76/58/93/1190765893.db2.gz MSUSEDLIFWVYCS-DJIMGWMZSA-N 2 2 363.506 0.729 10 0 FCAELP Cc1[nH+]c[nH]c1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001719927361 1191217682 /nfs/dbraw/zinc/21/76/82/1191217682.db2.gz NHMUTUQJIZPOSI-BMFZPTHFSA-N 2 2 359.474 0.851 10 0 FCAELP CC(C)[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000550664915 1193729399 /nfs/dbraw/zinc/72/93/99/1193729399.db2.gz ADHQBEGSQCNIII-SJORKVTESA-N 2 2 366.506 0.155 10 0 FCAELP CC(C)[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000550664915 1193729403 /nfs/dbraw/zinc/72/94/03/1193729403.db2.gz ADHQBEGSQCNIII-SJORKVTESA-N 2 2 366.506 0.155 10 0 FCAELP C[C@H](CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)C[NH+]1CCN(C)CC1 ZINC000553090569 1193969472 /nfs/dbraw/zinc/96/94/72/1193969472.db2.gz TVQISONRYAQVFB-CQSZACIVSA-N 2 2 358.446 0.273 10 0 FCAELP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000898988131 1194092821 /nfs/dbraw/zinc/09/28/21/1194092821.db2.gz SDSLBGOVDKWURV-PMACEKPBSA-N 2 2 372.513 0.640 10 0 FCAELP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000898988131 1194092825 /nfs/dbraw/zinc/09/28/25/1194092825.db2.gz SDSLBGOVDKWURV-PMACEKPBSA-N 2 2 372.513 0.640 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC(c4ccccn4)=NO3)C2)CC1 ZINC000906659239 1195645856 /nfs/dbraw/zinc/64/58/56/1195645856.db2.gz AAEYMGOFFYPADB-KDOFPFPSSA-N 2 2 357.458 0.859 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CC(c4ccccn4)=NO3)C2)CC1 ZINC000906659239 1195645857 /nfs/dbraw/zinc/64/58/57/1195645857.db2.gz AAEYMGOFFYPADB-KDOFPFPSSA-N 2 2 357.458 0.859 10 0 FCAELP Cn1cc(CN(CCn2cc[nH+]c2)C(=O)C2CN(C)CC[N@H+](C)C2)cn1 ZINC000908066750 1195722488 /nfs/dbraw/zinc/72/24/88/1195722488.db2.gz HKVVQLADBDVGPM-UHFFFAOYSA-N 2 2 359.478 0.139 10 0 FCAELP Cn1cc(CN(CCn2cc[nH+]c2)C(=O)C2CN(C)CC[N@@H+](C)C2)cn1 ZINC000908066750 1195722494 /nfs/dbraw/zinc/72/24/94/1195722494.db2.gz HKVVQLADBDVGPM-UHFFFAOYSA-N 2 2 359.478 0.139 10 0 FCAELP C/C(=C/C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1)C[NH+]1CCOCC1 ZINC000908185113 1195730097 /nfs/dbraw/zinc/73/00/97/1195730097.db2.gz GGPLMYAVDSOQKV-AKMXKPQHSA-N 2 2 364.490 0.076 10 0 FCAELP C/C(=C\C(=O)NCC(=O)NCC[NH+]1CCCCCC1)C[NH+]1CCOCC1 ZINC000908378878 1195742687 /nfs/dbraw/zinc/74/26/87/1195742687.db2.gz YKSAVCMOIRRNPY-SAPNQHFASA-N 2 2 366.506 0.373 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](C[NH2+]Cc1ccn(C)c(=O)c1)C1CC1 ZINC001483588485 1196389324 /nfs/dbraw/zinc/38/93/24/1196389324.db2.gz GHOXXJRUFXNSDZ-BRWVUGGUSA-N 2 2 369.469 0.907 10 0 FCAELP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CC[C@@H](CC[NH2+]CCCO)C1 ZINC001272504418 1197197664 /nfs/dbraw/zinc/19/76/64/1197197664.db2.gz ZCSLKYCBFXSWKH-KURKYZTESA-N 2 2 369.506 0.077 10 0 FCAELP C[C@@H]1CN(C(=O)C[NH2+][C@@H]2CC[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)CCO1 ZINC001488958629 1208586541 /nfs/dbraw/zinc/58/65/41/1208586541.db2.gz GBTKFPCZYCOBMU-QLFBSQMISA-N 2 2 363.462 0.074 10 0 FCAELP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC2CCCC2)C1 ZINC001488961867 1208586879 /nfs/dbraw/zinc/58/68/79/1208586879.db2.gz VAKMMEMRBNMNRB-GOEBONIOSA-N 2 2 361.490 0.896 10 0 FCAELP CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1OCC ZINC001489010270 1208605149 /nfs/dbraw/zinc/60/51/49/1208605149.db2.gz CNCYVJHJPPBJSF-GVDBMIGSSA-N 2 2 364.490 0.935 10 0 FCAELP CCOCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H]1CC ZINC001489122513 1208631574 /nfs/dbraw/zinc/63/15/74/1208631574.db2.gz GRJMGXDLVBVZCH-BBWFWOEESA-N 2 2 368.522 0.593 10 0 FCAELP CCOCCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H]1CC ZINC001489122513 1208631578 /nfs/dbraw/zinc/63/15/78/1208631578.db2.gz GRJMGXDLVBVZCH-BBWFWOEESA-N 2 2 368.522 0.593 10 0 FCAELP CCOCCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1CC ZINC001489122513 1208631581 /nfs/dbraw/zinc/63/15/81/1208631581.db2.gz GRJMGXDLVBVZCH-BBWFWOEESA-N 2 2 368.522 0.593 10 0 FCAELP CCOCCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1CC ZINC001489122513 1208631583 /nfs/dbraw/zinc/63/15/83/1208631583.db2.gz GRJMGXDLVBVZCH-BBWFWOEESA-N 2 2 368.522 0.593 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC[N@@H+]1CC(=O)N(CC)CC ZINC001489145932 1208645481 /nfs/dbraw/zinc/64/54/81/1208645481.db2.gz ZPMBXEGMGKJOGJ-GVDBMIGSSA-N 2 2 368.522 0.545 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC[N@H+]1CC(=O)N(CC)CC ZINC001489145932 1208645484 /nfs/dbraw/zinc/64/54/84/1208645484.db2.gz ZPMBXEGMGKJOGJ-GVDBMIGSSA-N 2 2 368.522 0.545 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC[NH+]1CC(=O)N(CC)CC ZINC001489145932 1208645487 /nfs/dbraw/zinc/64/54/87/1208645487.db2.gz ZPMBXEGMGKJOGJ-GVDBMIGSSA-N 2 2 368.522 0.545 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC[NH+]1CC(=O)N(CC)CC ZINC001489145932 1208645490 /nfs/dbraw/zinc/64/54/90/1208645490.db2.gz ZPMBXEGMGKJOGJ-GVDBMIGSSA-N 2 2 368.522 0.545 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001489272278 1208749584 /nfs/dbraw/zinc/74/95/84/1208749584.db2.gz RGSOAXQBTKRARS-ILXRZTDVSA-N 2 2 357.520 0.484 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001489272278 1208749586 /nfs/dbraw/zinc/74/95/86/1208749586.db2.gz RGSOAXQBTKRARS-ILXRZTDVSA-N 2 2 357.520 0.484 10 0 FCAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001489381106 1208803226 /nfs/dbraw/zinc/80/32/26/1208803226.db2.gz FJWNMVHNSDGVDA-FVQBIDKESA-N 2 2 365.478 0.008 10 0 FCAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001489381106 1208803228 /nfs/dbraw/zinc/80/32/28/1208803228.db2.gz FJWNMVHNSDGVDA-FVQBIDKESA-N 2 2 365.478 0.008 10 0 FCAELP CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001489460617 1208845408 /nfs/dbraw/zinc/84/54/08/1208845408.db2.gz GOBZDJYFKKBMAR-HLLBOEOZSA-N 2 2 361.490 0.749 10 0 FCAELP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001489460617 1208845410 /nfs/dbraw/zinc/84/54/10/1208845410.db2.gz GOBZDJYFKKBMAR-HLLBOEOZSA-N 2 2 361.490 0.749 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC001490123994 1209233825 /nfs/dbraw/zinc/23/38/25/1209233825.db2.gz GCCGRWOKVWEPMO-ZBFHGGJFSA-N 2 2 370.457 0.979 10 0 FCAELP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H]1C ZINC001490136310 1209265167 /nfs/dbraw/zinc/26/51/67/1209265167.db2.gz UXLBQEMLEXJZHX-YUELXQCFSA-N 2 2 353.442 0.738 10 0 FCAELP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001490322625 1209317819 /nfs/dbraw/zinc/31/78/19/1209317819.db2.gz YNOLKDLBOZNEGR-OWCLPIDISA-N 2 2 361.490 0.608 10 0 FCAELP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001490327253 1209318767 /nfs/dbraw/zinc/31/87/67/1209318767.db2.gz MQTHCVINCZIXEQ-HUUCEWRRSA-N 2 2 370.457 0.869 10 0 FCAELP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001490451795 1209344203 /nfs/dbraw/zinc/34/42/03/1209344203.db2.gz QWHLSEIIVVSVKB-HUUCEWRRSA-N 2 2 361.490 0.895 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc2c1COC2=O ZINC000850595939 1209461275 /nfs/dbraw/zinc/46/12/75/1209461275.db2.gz IRYKKLMPAUDXPM-UHFFFAOYSA-N 2 2 362.430 0.295 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc2c1COC2=O ZINC000850595939 1209461277 /nfs/dbraw/zinc/46/12/77/1209461277.db2.gz IRYKKLMPAUDXPM-UHFFFAOYSA-N 2 2 362.430 0.295 10 0 FCAELP [NH3+]C[C@H]1CC(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)=NO1 ZINC000852863223 1209568635 /nfs/dbraw/zinc/56/86/35/1209568635.db2.gz SGOGNTMPZWZFPN-OAHLLOKOSA-N 2 2 362.430 0.117 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000855415159 1209669249 /nfs/dbraw/zinc/66/92/49/1209669249.db2.gz RRQGCHGTWHTSOQ-OAHLLOKOSA-N 2 2 372.510 0.622 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000855415159 1209669252 /nfs/dbraw/zinc/66/92/52/1209669252.db2.gz RRQGCHGTWHTSOQ-OAHLLOKOSA-N 2 2 372.510 0.622 10 0 FCAELP CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(c3nc(N)nc(N)[nH+]3)C2)ccn1 ZINC000858635781 1209797849 /nfs/dbraw/zinc/79/78/49/1209797849.db2.gz ALIPSERVZDVERX-AWEZNQCLSA-N 2 2 358.450 0.929 10 0 FCAELP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(c3nc(N)nc(N)[nH+]3)C2)ccn1 ZINC000858635781 1209797852 /nfs/dbraw/zinc/79/78/52/1209797852.db2.gz ALIPSERVZDVERX-AWEZNQCLSA-N 2 2 358.450 0.929 10 0 FCAELP CON(C)C(=O)[C@@H](C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000858990893 1209808124 /nfs/dbraw/zinc/80/81/24/1209808124.db2.gz OVVJUKVLDNBVMH-OAHLLOKOSA-N 2 2 369.510 0.644 10 0 FCAELP COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866709832 1210003082 /nfs/dbraw/zinc/00/30/82/1210003082.db2.gz UTTKSUSCHSHVBL-UOJCXKCYSA-N 2 2 374.441 0.889 10 0 FCAELP COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866709832 1210003086 /nfs/dbraw/zinc/00/30/86/1210003086.db2.gz UTTKSUSCHSHVBL-UOJCXKCYSA-N 2 2 374.441 0.889 10 0 FCAELP COC[C@@]1(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)CC[NH2+]C1 ZINC000867998461 1210038560 /nfs/dbraw/zinc/03/85/60/1210038560.db2.gz WLCNXLVUGOCEOI-UYAOXDASSA-N 2 2 361.486 0.938 10 0 FCAELP COC[C@@]1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)CC[NH2+]C1 ZINC000867998461 1210038563 /nfs/dbraw/zinc/03/85/63/1210038563.db2.gz WLCNXLVUGOCEOI-UYAOXDASSA-N 2 2 361.486 0.938 10 0 FCAELP O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000868276309 1210048926 /nfs/dbraw/zinc/04/89/26/1210048926.db2.gz PPJXHSRMLGCOMC-HKUYNNGSSA-N 2 2 369.469 0.862 10 0 FCAELP O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000868276309 1210048930 /nfs/dbraw/zinc/04/89/30/1210048930.db2.gz PPJXHSRMLGCOMC-HKUYNNGSSA-N 2 2 369.469 0.862 10 0 FCAELP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000868280414 1210049085 /nfs/dbraw/zinc/04/90/85/1210049085.db2.gz FLUDEYHZCIZYKQ-GOSISDBHSA-N 2 2 367.538 0.519 10 0 FCAELP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000868280414 1210049088 /nfs/dbraw/zinc/04/90/88/1210049088.db2.gz FLUDEYHZCIZYKQ-GOSISDBHSA-N 2 2 367.538 0.519 10 0 FCAELP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CCC[C@@H]4[NH2+]CC[C@H]43)CC2)c1 ZINC000868420455 1210065464 /nfs/dbraw/zinc/06/54/64/1210065464.db2.gz WPJYPKPQRKSLRK-RBUKOAKNSA-N 2 2 370.497 0.992 10 0 FCAELP COc1ccc(C[NH+]2CCN(C(=O)CN3C[C@@H]4C[NH2+]C[C@]4(C)C3)CC2)cc1 ZINC000872154193 1210173966 /nfs/dbraw/zinc/17/39/66/1210173966.db2.gz RERWNERWEHXCBU-GHTZIAJQSA-N 2 2 372.513 0.881 10 0 FCAELP CC[N@H+]1[C@H](C)CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@@H]1C ZINC000880609557 1210554796 /nfs/dbraw/zinc/55/47/96/1210554796.db2.gz ZAQATTWNWIDCKN-BBWFWOEESA-N 2 2 366.506 0.108 10 0 FCAELP CC[N@@H+]1[C@H](C)CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@@H]1C ZINC000880609557 1210554806 /nfs/dbraw/zinc/55/48/06/1210554806.db2.gz ZAQATTWNWIDCKN-BBWFWOEESA-N 2 2 366.506 0.108 10 0 FCAELP CN(CCC[NH2+]C[C@@H]1CCc2ncnn21)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001276232038 1211386684 /nfs/dbraw/zinc/38/66/84/1211386684.db2.gz KAYSVCNELIIAHM-RRFJBIMHSA-N 2 2 357.462 0.741 10 0 FCAELP C[N@@H+]1CC[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCn2cc[nH+]c2)C3)C1 ZINC001490825044 1211417481 /nfs/dbraw/zinc/41/74/81/1211417481.db2.gz QKABRPYZCXWDDM-VQHPVUNQSA-N 2 2 359.474 0.863 10 0 FCAELP C[N@H+]1CC[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCn2cc[nH+]c2)C3)C1 ZINC001490825044 1211417482 /nfs/dbraw/zinc/41/74/82/1211417482.db2.gz QKABRPYZCXWDDM-VQHPVUNQSA-N 2 2 359.474 0.863 10 0 FCAELP CN1CC[N@H+](Cc2ccccc2)[C@@H](CN2C(=O)N[C@@H](C[NH+](C)C)C2=O)C1 ZINC000925370497 1211497074 /nfs/dbraw/zinc/49/70/74/1211497074.db2.gz MGKQIOJDSAXYCX-SJORKVTESA-N 2 2 359.474 0.285 10 0 FCAELP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CN2C(=O)N[C@@H](C[NH+](C)C)C2=O)C1 ZINC000925370497 1211497079 /nfs/dbraw/zinc/49/70/79/1211497079.db2.gz MGKQIOJDSAXYCX-SJORKVTESA-N 2 2 359.474 0.285 10 0 FCAELP C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1N=NC(=O)N1C ZINC000926148811 1211517974 /nfs/dbraw/zinc/51/79/74/1211517974.db2.gz UAFKPSPHKLEMFO-GXTWGEPZSA-N 2 2 365.482 0.392 10 0 FCAELP C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1N=NC(=O)N1C ZINC000926148811 1211517982 /nfs/dbraw/zinc/51/79/82/1211517982.db2.gz UAFKPSPHKLEMFO-GXTWGEPZSA-N 2 2 365.482 0.392 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CON(C(=O)OC(C)(C)C)C1 ZINC000927339742 1211570019 /nfs/dbraw/zinc/57/00/19/1211570019.db2.gz QGPDEHHKFRFHNJ-CQSZACIVSA-N 2 2 373.498 0.720 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CON(C(=O)OC(C)(C)C)C1 ZINC000927339742 1211570026 /nfs/dbraw/zinc/57/00/26/1211570026.db2.gz QGPDEHHKFRFHNJ-CQSZACIVSA-N 2 2 373.498 0.720 10 0 FCAELP CCO[C@H](CNC(=O)C(=O)NCc1[nH+]cc(C)c(OC)c1C)C[NH+](C)C ZINC000929803547 1211662420 /nfs/dbraw/zinc/66/24/20/1211662420.db2.gz YALWRRJSTIWRFO-CQSZACIVSA-N 2 2 366.462 0.406 10 0 FCAELP COC[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000930171971 1211694248 /nfs/dbraw/zinc/69/42/48/1211694248.db2.gz YAAQSFQMAGTWKH-HZPDHXFCSA-N 2 2 368.522 0.306 10 0 FCAELP COC[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000930171971 1211694252 /nfs/dbraw/zinc/69/42/52/1211694252.db2.gz YAAQSFQMAGTWKH-HZPDHXFCSA-N 2 2 368.522 0.306 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)NCc2ccc3c[nH+]cn3c2)n1 ZINC000930818304 1211723521 /nfs/dbraw/zinc/72/35/21/1211723521.db2.gz GAETWUXFFXOKSW-UHFFFAOYSA-N 2 2 372.454 0.785 10 0 FCAELP CCO[C@H](CNC(=O)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C)C[NH+](C)C ZINC000931150392 1211742970 /nfs/dbraw/zinc/74/29/70/1211742970.db2.gz SKOYOKIKGJUOLB-WBVHZDCISA-N 2 2 362.474 0.372 10 0 FCAELP CCO[C@H](CNC(=O)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C)C[NH+](C)C ZINC000931150392 1211742973 /nfs/dbraw/zinc/74/29/73/1211742973.db2.gz SKOYOKIKGJUOLB-WBVHZDCISA-N 2 2 362.474 0.372 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[N@H+](C)[C@H](CO)C2)CC1 ZINC000931408351 1211754043 /nfs/dbraw/zinc/75/40/43/1211754043.db2.gz AUABPLOJDYYNPS-MJGOQNOKSA-N 2 2 360.502 0.500 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[N@@H+](C)[C@H](CO)C2)CC1 ZINC000931408351 1211754046 /nfs/dbraw/zinc/75/40/46/1211754046.db2.gz AUABPLOJDYYNPS-MJGOQNOKSA-N 2 2 360.502 0.500 10 0 FCAELP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000900208725 1217971444 /nfs/dbraw/zinc/97/14/44/1217971444.db2.gz CDPSZUATIZKKSJ-YLJYHZDGSA-N 2 2 374.485 0.146 10 0 FCAELP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000900208725 1217971447 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/nfs/dbraw/zinc/98/01/68/1217980168.db2.gz PWCFVQBIGZDLGP-JTDSTZFVSA-N 2 2 360.458 0.530 10 0 FCAELP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000900326835 1217980173 /nfs/dbraw/zinc/98/01/73/1217980173.db2.gz PWCFVQBIGZDLGP-JTDSTZFVSA-N 2 2 360.458 0.530 10 0 FCAELP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1cccc(C[NH+]2CCC[C@@H]2C(N)=O)c1 ZINC000900326634 1217980517 /nfs/dbraw/zinc/98/05/17/1217980517.db2.gz PWCFVQBIGZDLGP-GPMSIDNRSA-N 2 2 360.458 0.530 10 0 FCAELP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1cccc(C[NH+]2CCC[C@@H]2C(N)=O)c1 ZINC000900326634 1217980525 /nfs/dbraw/zinc/98/05/25/1217980525.db2.gz PWCFVQBIGZDLGP-GPMSIDNRSA-N 2 2 360.458 0.530 10 0 FCAELP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000900326634 1217980531 /nfs/dbraw/zinc/98/05/31/1217980531.db2.gz PWCFVQBIGZDLGP-GPMSIDNRSA-N 2 2 360.458 0.530 10 0 FCAELP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000900326634 1217980540 /nfs/dbraw/zinc/98/05/40/1217980540.db2.gz PWCFVQBIGZDLGP-GPMSIDNRSA-N 2 2 360.458 0.530 10 0 FCAELP Cc1nc(C)n(CC[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)n1 ZINC001276995998 1225792829 /nfs/dbraw/zinc/79/28/29/1225792829.db2.gz RCCVXSZZQCVHPE-KLHDSHLOSA-N 2 2 357.462 0.906 10 0 FCAELP Cc1nc(C)n(CC[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)n1 ZINC001276995998 1225792832 /nfs/dbraw/zinc/79/28/32/1225792832.db2.gz RCCVXSZZQCVHPE-KLHDSHLOSA-N 2 2 357.462 0.906 10 0 FCAELP C/C(=C\C(=O)NCc1ccnc(OCC[NH+](C)C)c1)C[NH+]1CCOCC1 ZINC000901257427 1218102615 /nfs/dbraw/zinc/10/26/15/1218102615.db2.gz PJUHZAQOYIXDJG-FOWTUZBSSA-N 2 2 362.474 0.917 10 0 FCAELP CC1(C)CN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@@H]1[NH3+] ZINC000903558857 1218449346 /nfs/dbraw/zinc/44/93/46/1218449346.db2.gz RPKUQEAUJCAVDY-IBGZPJMESA-N 2 2 372.513 0.935 10 0 FCAELP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC[C@@H]1C(F)(F)F ZINC000903726783 1218508796 /nfs/dbraw/zinc/50/87/96/1218508796.db2.gz PFQCILUSPVIBFC-SDDRHHMPSA-N 2 2 373.379 0.854 10 0 FCAELP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC[C@@H]1C(F)(F)F ZINC000903740999 1218512536 /nfs/dbraw/zinc/51/25/36/1218512536.db2.gz ARXHSMWOGDSKPO-NWDGAFQWSA-N 2 2 373.379 0.854 10 0 FCAELP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC[C@@H]1C(F)(F)F ZINC000903740999 1218512544 /nfs/dbraw/zinc/51/25/44/1218512544.db2.gz ARXHSMWOGDSKPO-NWDGAFQWSA-N 2 2 373.379 0.854 10 0 FCAELP C[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903911106 1218561206 /nfs/dbraw/zinc/56/12/06/1218561206.db2.gz WZHNPYCBQYAYIR-CQSZACIVSA-N 2 2 368.441 0.931 10 0 FCAELP C[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903911106 1218561218 /nfs/dbraw/zinc/56/12/18/1218561218.db2.gz WZHNPYCBQYAYIR-CQSZACIVSA-N 2 2 368.441 0.931 10 0 FCAELP CC(C)N1CC[C@H]([NH2+]C2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1=O ZINC001277178624 1225863017 /nfs/dbraw/zinc/86/30/17/1225863017.db2.gz ZVBIROJSZQNCEE-KFWWJZLASA-N 2 2 359.474 0.771 10 0 FCAELP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000750247567 1219889592 /nfs/dbraw/zinc/88/95/92/1219889592.db2.gz RNXMVICQBQWSEM-AWEZNQCLSA-N 2 2 363.462 0.622 10 0 FCAELP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000750247567 1219889593 /nfs/dbraw/zinc/88/95/93/1219889593.db2.gz RNXMVICQBQWSEM-AWEZNQCLSA-N 2 2 363.462 0.622 10 0 FCAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CC1CCS(=O)(=O)CC1 ZINC001491486999 1220145585 /nfs/dbraw/zinc/14/55/85/1220145585.db2.gz SNVAFLZGEGIZGR-MRVWCRGKSA-N 2 2 354.476 0.432 10 0 FCAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CC1CCS(=O)(=O)CC1 ZINC001491486999 1220145590 /nfs/dbraw/zinc/14/55/90/1220145590.db2.gz SNVAFLZGEGIZGR-MRVWCRGKSA-N 2 2 354.476 0.432 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCC[NH+](C)C2)[C@H]1c1ccc(F)cc1 ZINC001117485035 1221555778 /nfs/dbraw/zinc/55/57/78/1221555778.db2.gz IXBYWWDEGVJRGE-GVDBMIGSSA-N 2 2 362.449 0.898 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCC[NH+](C)C2)[C@H]1c1ccc(F)cc1 ZINC001117485035 1221555780 /nfs/dbraw/zinc/55/57/80/1221555780.db2.gz IXBYWWDEGVJRGE-GVDBMIGSSA-N 2 2 362.449 0.898 10 0 FCAELP C[NH+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)[C@H]1c1ccc(F)cc1 ZINC001117485035 1221555782 /nfs/dbraw/zinc/55/57/82/1221555782.db2.gz IXBYWWDEGVJRGE-GVDBMIGSSA-N 2 2 362.449 0.898 10 0 FCAELP C[NH+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)[C@H]1c1ccc(F)cc1 ZINC001117485035 1221555784 /nfs/dbraw/zinc/55/57/84/1221555784.db2.gz IXBYWWDEGVJRGE-GVDBMIGSSA-N 2 2 362.449 0.898 10 0 FCAELP C[NH+](C)CCN1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)CC1=O ZINC001118270259 1221748812 /nfs/dbraw/zinc/74/88/12/1221748812.db2.gz XATJMYGIKONIAE-GOSISDBHSA-N 2 2 373.501 0.669 10 0 FCAELP COC1CC(CCNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC001118498748 1221789750 /nfs/dbraw/zinc/78/97/50/1221789750.db2.gz LXYWVDUDTNYHSM-UHFFFAOYSA-N 2 2 368.522 0.402 10 0 FCAELP COC1CC(CCNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC001118498748 1221789753 /nfs/dbraw/zinc/78/97/53/1221789753.db2.gz LXYWVDUDTNYHSM-UHFFFAOYSA-N 2 2 368.522 0.402 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC1CC2(CC2(F)F)C1 ZINC001118670713 1221816860 /nfs/dbraw/zinc/81/68/60/1221816860.db2.gz WXWLDEOVKPNJHQ-UHFFFAOYSA-N 2 2 372.460 0.775 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC1CC2(CC2(F)F)C1 ZINC001118670713 1221816862 /nfs/dbraw/zinc/81/68/62/1221816862.db2.gz WXWLDEOVKPNJHQ-UHFFFAOYSA-N 2 2 372.460 0.775 10 0 FCAELP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C[C@@H]1C(F)(F)F ZINC001119066463 1221861920 /nfs/dbraw/zinc/86/19/20/1221861920.db2.gz LGXICIOAGDAGHG-RYUDHWBXSA-N 2 2 373.379 0.711 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC001119635612 1221943052 /nfs/dbraw/zinc/94/30/52/1221943052.db2.gz BTFYHFFJIYXKTN-OXJNMPFZSA-N 2 2 374.485 0.204 10 0 FCAELP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001119840733 1221983108 /nfs/dbraw/zinc/98/31/08/1221983108.db2.gz LMWVIJJKIYDLFE-OAHLLOKOSA-N 2 2 361.490 0.823 10 0 FCAELP C[NH+](C)[C@@]1(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)COc2ccccc2C1 ZINC001123753901 1222355242 /nfs/dbraw/zinc/35/52/42/1222355242.db2.gz DVNZIULJQZASSN-LJQANCHMSA-N 2 2 355.442 0.994 10 0 FCAELP C[C@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@H]1CN(C)CC[N@@H+]1C ZINC001123793988 1222358942 /nfs/dbraw/zinc/35/89/42/1222358942.db2.gz HGXVLGMJKSSZHG-BSDSXHPESA-N 3 2 368.570 0.002 10 0 FCAELP C[C@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@H]1CN(C)CC[N@H+]1C ZINC001123793988 1222358950 /nfs/dbraw/zinc/35/89/50/1222358950.db2.gz HGXVLGMJKSSZHG-BSDSXHPESA-N 3 2 368.570 0.002 10 0 FCAELP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000842203882 1222841102 /nfs/dbraw/zinc/84/11/02/1222841102.db2.gz YFQHVLBETHFMSB-YLJYHZDGSA-N 2 2 356.470 0.891 10 0 FCAELP 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C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1CCCNC(=O)C(F)(F)F ZINC001479699778 1263350966 /nfs/dbraw/zinc/35/09/66/1263350966.db2.gz QWQWTYHGQNWDLP-AGIUHOORSA-N 2 2 364.412 0.728 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CCNC(=O)NC(C)(C)C ZINC001479730794 1263408001 /nfs/dbraw/zinc/40/80/01/1263408001.db2.gz FERBTLWXUZODFX-KGLIPLIRSA-N 2 2 350.467 0.560 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CCNC(=O)NC(C)(C)C ZINC001479730794 1263408003 /nfs/dbraw/zinc/40/80/03/1263408003.db2.gz FERBTLWXUZODFX-KGLIPLIRSA-N 2 2 350.467 0.560 10 0 FCAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CC(=O)NCc1ccccc1 ZINC001480479290 1263431864 /nfs/dbraw/zinc/43/18/64/1263431864.db2.gz HGUTULKEQXMCDU-NUEKZKHPSA-N 2 2 355.442 0.924 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001480666223 1263434991 /nfs/dbraw/zinc/43/49/91/1263434991.db2.gz SPVUQCOMKXDCPH-BFHYXJOUSA-N 2 2 354.476 0.006 10 0 FCAELP CN(C)C(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CCCC1 ZINC001484008243 1263454051 /nfs/dbraw/zinc/45/40/51/1263454051.db2.gz BWZDMBGZIMAALY-OAGGEKHMSA-N 2 2 361.490 0.876 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[NH+](Cc3cc(C)on3)C2)CC[N@@H+]1C ZINC001484218363 1263459339 /nfs/dbraw/zinc/45/93/39/1263459339.db2.gz ZSOHVRBBWUIGBL-JZXOWHBKSA-N 2 2 350.463 0.766 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[NH+](Cc3cc(C)on3)C2)CC[N@H+]1C ZINC001484218363 1263459346 /nfs/dbraw/zinc/45/93/46/1263459346.db2.gz ZSOHVRBBWUIGBL-JZXOWHBKSA-N 2 2 350.463 0.766 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](Cc3cc(C)on3)C2)CC[NH+]1C ZINC001484218363 1263459351 /nfs/dbraw/zinc/45/93/51/1263459351.db2.gz ZSOHVRBBWUIGBL-JZXOWHBKSA-N 2 2 350.463 0.766 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](Cc3cc(C)on3)C2)CC[NH+]1C ZINC001484218363 1263459354 /nfs/dbraw/zinc/45/93/54/1263459354.db2.gz ZSOHVRBBWUIGBL-JZXOWHBKSA-N 2 2 350.463 0.766 10 0 FCAELP 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C[C@@H]1[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)CC[N@H+]1CCOCCO ZINC001316782362 1263472704 /nfs/dbraw/zinc/47/27/04/1263472704.db2.gz BABYAGGTUFGYGA-JKIFEVAISA-N 2 2 365.478 0.378 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)CC[NH+]1CCOCCO ZINC001316782362 1263472711 /nfs/dbraw/zinc/47/27/11/1263472711.db2.gz BABYAGGTUFGYGA-JKIFEVAISA-N 2 2 365.478 0.378 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)CC[NH+]1CCOCCO ZINC001316782362 1263472716 /nfs/dbraw/zinc/47/27/16/1263472716.db2.gz BABYAGGTUFGYGA-JKIFEVAISA-N 2 2 365.478 0.378 10 0 FCAELP O=C(NCC1([NH2+]C[C@H]2CCS(=O)(=O)C2)CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001484638061 1263481234 /nfs/dbraw/zinc/48/12/34/1263481234.db2.gz CAFLMJVNXDTLFM-MGPQQGTHSA-N 2 2 366.487 0.576 10 0 FCAELP O=C(NCC1([NH2+]C[C@H]2CCS(=O)(=O)C2)CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001484638061 1263481244 /nfs/dbraw/zinc/48/12/44/1263481244.db2.gz CAFLMJVNXDTLFM-MGPQQGTHSA-N 2 2 366.487 0.576 10 0 FCAELP O=C(C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)N1CCCC1 ZINC001317150357 1263502562 /nfs/dbraw/zinc/50/25/62/1263502562.db2.gz MZOLNSAJXKVRTB-BZUAXINKSA-N 2 2 359.474 0.964 10 0 FCAELP O=C(C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)N1CCCC1 ZINC001317150357 1263502569 /nfs/dbraw/zinc/50/25/69/1263502569.db2.gz MZOLNSAJXKVRTB-BZUAXINKSA-N 2 2 359.474 0.964 10 0 FCAELP O=C(NCCC[C@@H]1CCC[N@H+]1CCO)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001317425445 1263510835 /nfs/dbraw/zinc/51/08/35/1263510835.db2.gz AIEIZDVALWPMFP-KURKYZTESA-N 2 2 369.506 0.219 10 0 FCAELP O=C(NCCC[C@@H]1CCC[N@@H+]1CCO)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001317425445 1263510839 /nfs/dbraw/zinc/51/08/39/1263510839.db2.gz AIEIZDVALWPMFP-KURKYZTESA-N 2 2 369.506 0.219 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]Cc2nnn(C)n2)C(C)(C)C)CC[N@@H+]1C ZINC001486398612 1263537635 /nfs/dbraw/zinc/53/76/35/1263537635.db2.gz CBTKTCVZPVXYFE-BFHYXJOUSA-N 2 2 351.499 0.561 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]Cc2nnn(C)n2)C(C)(C)C)CC[N@H+]1C ZINC001486398612 1263537640 /nfs/dbraw/zinc/53/76/40/1263537640.db2.gz CBTKTCVZPVXYFE-BFHYXJOUSA-N 2 2 351.499 0.561 10 0 FCAELP CS(=O)(=O)CC1(C[NH2+][C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001491732901 1263617489 /nfs/dbraw/zinc/61/74/89/1263617489.db2.gz QVFQAUKZOUHUOL-BFHYXJOUSA-N 2 2 366.487 0.529 10 0 FCAELP CS(=O)(=O)CC1(C[NH2+][C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001491732901 1263617501 /nfs/dbraw/zinc/61/75/01/1263617501.db2.gz QVFQAUKZOUHUOL-BFHYXJOUSA-N 2 2 366.487 0.529 10 0 FCAELP CN(CC[NH2+]CC(=O)NC(=O)NC(C)(C)C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001493583520 1263727914 /nfs/dbraw/zinc/72/79/14/1263727914.db2.gz HDDHMEYIEKPHQE-VXGBXAGGSA-N 2 2 364.450 0.186 10 0 FCAELP CN(CC[NH2+]CC(=O)N(C)CC(F)(F)F)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001493585549 1263730086 /nfs/dbraw/zinc/73/00/86/1263730086.db2.gz VVEPMLADSDEZAN-GHMZBOCLSA-N 2 2 361.368 0.582 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)NCCCC[NH+]3CCN(C)CC3)ccc2[nH+]1 ZINC001319919592 1263743828 /nfs/dbraw/zinc/74/38/28/1263743828.db2.gz RUMZASQIXZVTDR-UHFFFAOYSA-N 2 2 372.473 0.725 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+]2CC(=O)N(CC)C2CC2)CC[N@@H+]1C ZINC001498978262 1263996718 /nfs/dbraw/zinc/99/67/18/1263996718.db2.gz ABJWCYLUNRSXRB-IXDOHACOSA-N 2 2 350.507 0.918 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+]2CC(=O)N(CC)C2CC2)CC[N@H+]1C ZINC001498978262 1263996723 /nfs/dbraw/zinc/99/67/23/1263996723.db2.gz ABJWCYLUNRSXRB-IXDOHACOSA-N 2 2 350.507 0.918 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CC(=O)N(CC)C2CC2)CC[NH+]1C ZINC001498978262 1263996731 /nfs/dbraw/zinc/99/67/31/1263996731.db2.gz ABJWCYLUNRSXRB-IXDOHACOSA-N 2 2 350.507 0.918 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+]2CC(=O)N(CC)C2CC2)CC[NH+]1C ZINC001498978262 1263996736 /nfs/dbraw/zinc/99/67/36/1263996736.db2.gz ABJWCYLUNRSXRB-IXDOHACOSA-N 2 2 350.507 0.918 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCS(C)(=O)=O ZINC001499928144 1264051081 /nfs/dbraw/zinc/05/10/81/1264051081.db2.gz OTHOQAOVJXKFOT-RBSFLKMASA-N 2 2 368.503 0.539 10 0 FCAELP CC(C)OCCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001500730820 1264086670 /nfs/dbraw/zinc/08/66/70/1264086670.db2.gz YBCLSOHAQUJWNW-MDZRGWNJSA-N 2 2 364.490 0.892 10 0 FCAELP CC(C)OCCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001500730820 1264086677 /nfs/dbraw/zinc/08/66/77/1264086677.db2.gz YBCLSOHAQUJWNW-MDZRGWNJSA-N 2 2 364.490 0.892 10 0 FCAELP COCCCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001502573208 1264176810 /nfs/dbraw/zinc/17/68/10/1264176810.db2.gz KMNHYLQGXZGZSX-IIDMSEBBSA-N 2 2 350.463 0.883 10 0 FCAELP COCCCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001502573208 1264176821 /nfs/dbraw/zinc/17/68/21/1264176821.db2.gz KMNHYLQGXZGZSX-IIDMSEBBSA-N 2 2 350.463 0.883 10 0 FCAELP CC(C)OCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001502572950 1264177290 /nfs/dbraw/zinc/17/72/90/1264177290.db2.gz FGVMYBBXVWVAOH-IIDMSEBBSA-N 2 2 350.463 0.881 10 0 FCAELP CC(C)OCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001502572950 1264177296 /nfs/dbraw/zinc/17/72/96/1264177296.db2.gz FGVMYBBXVWVAOH-IIDMSEBBSA-N 2 2 350.463 0.881 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@]1(C)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001506493328 1264323971 /nfs/dbraw/zinc/32/39/71/1264323971.db2.gz JJBBMQWFBYRTEJ-SPYBWZPUSA-N 2 2 361.490 0.973 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2csnc2OC)CC[N@@H+]1C ZINC001507198499 1264354503 /nfs/dbraw/zinc/35/45/03/1264354503.db2.gz WYPKQIDFDREYDY-HZSPNIEDSA-N 2 2 356.492 0.449 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2csnc2OC)CC[N@H+]1C ZINC001507198499 1264354508 /nfs/dbraw/zinc/35/45/08/1264354508.db2.gz WYPKQIDFDREYDY-HZSPNIEDSA-N 2 2 356.492 0.449 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)[C@@H]1c1ccc(F)cc1 ZINC001325337300 1264849834 /nfs/dbraw/zinc/84/98/34/1264849834.db2.gz FVAWFJCTYNXNCZ-CVEARBPZSA-N 2 2 362.449 0.898 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)[C@@H]1c1ccc(F)cc1 ZINC001325337300 1264849846 /nfs/dbraw/zinc/84/98/46/1264849846.db2.gz FVAWFJCTYNXNCZ-CVEARBPZSA-N 2 2 362.449 0.898 10 0 FCAELP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001513305996 1265025933 /nfs/dbraw/zinc/02/59/33/1265025933.db2.gz PCKIKLLYRREKHH-OWCLPIDISA-N 2 2 361.490 0.750 10 0 FCAELP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001513305996 1265025945 /nfs/dbraw/zinc/02/59/45/1265025945.db2.gz PCKIKLLYRREKHH-OWCLPIDISA-N 2 2 361.490 0.750 10 0 FCAELP Cn1ccnc1C[NH+]1CCC(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC001326062105 1265055434 /nfs/dbraw/zinc/05/54/34/1265055434.db2.gz IIIKEQOTJNWJSC-KRWDZBQOSA-N 2 2 360.506 0.138 10 0 FCAELP CO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001513405305 1265105771 /nfs/dbraw/zinc/10/57/71/1265105771.db2.gz XVIJVOSEPKMUGE-ARFHVFGLSA-N 2 2 363.462 0.100 10 0 FCAELP CO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001513405305 1265105773 /nfs/dbraw/zinc/10/57/73/1265105773.db2.gz XVIJVOSEPKMUGE-ARFHVFGLSA-N 2 2 363.462 0.100 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@]4(CC4(F)F)C3)C2)CC1 ZINC001326644069 1265148005 /nfs/dbraw/zinc/14/80/05/1265148005.db2.gz DEQGUUKFWPKVLK-SUMWQHHRSA-N 2 2 370.444 0.529 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@]4(CC4(F)F)C3)C2)CC1 ZINC001326644069 1265148010 /nfs/dbraw/zinc/14/80/10/1265148010.db2.gz DEQGUUKFWPKVLK-SUMWQHHRSA-N 2 2 370.444 0.529 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CCOC2CCC2)C1 ZINC001327033959 1265221108 /nfs/dbraw/zinc/22/11/08/1265221108.db2.gz GWZWHYGSKOPNHJ-GVDBMIGSSA-N 2 2 362.474 0.910 10 0 FCAELP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+]1CCCC1 ZINC001522322731 1266490308 /nfs/dbraw/zinc/49/03/08/1266490308.db2.gz NPVWGOTUKPUYIY-OAGGEKHMSA-N 2 2 359.474 0.697 10 0 FCAELP CC[N@H+](C)CCC(=O)NC1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001333782947 1266714174 /nfs/dbraw/zinc/71/41/74/1266714174.db2.gz GYHAJDSPEODHAC-QDIHITRGSA-N 2 2 361.490 0.876 10 0 FCAELP CC[N@@H+](C)CCC(=O)NC1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001333782947 1266714182 /nfs/dbraw/zinc/71/41/82/1266714182.db2.gz GYHAJDSPEODHAC-QDIHITRGSA-N 2 2 361.490 0.876 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCC3(CC4CC4)CC3)C2)CC1 ZINC001334500914 1267040263 /nfs/dbraw/zinc/04/02/63/1267040263.db2.gz ATLZUNBURWHFNI-MRXNPFEDSA-N 2 2 362.518 0.968 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCC3(CC4CC4)CC3)C2)CC1 ZINC001334500914 1267040279 /nfs/dbraw/zinc/04/02/79/1267040279.db2.gz ATLZUNBURWHFNI-MRXNPFEDSA-N 2 2 362.518 0.968 10 0 FCAELP C[C@@H]1C[C@H](N(C)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001339728539 1268313892 /nfs/dbraw/zinc/31/38/92/1268313892.db2.gz SPFMFQOOZHNJBP-GDBMZVCRSA-N 2 2 374.551 0.620 10 0 FCAELP C[C@@H]1C[C@H](N(C)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001339728539 1268313903 /nfs/dbraw/zinc/31/39/03/1268313903.db2.gz SPFMFQOOZHNJBP-GDBMZVCRSA-N 2 2 374.551 0.620 10 0 FCAELP CN(C)C(=O)C[N@@H+]1CCCN(C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001560146275 1269192840 /nfs/dbraw/zinc/19/28/40/1269192840.db2.gz GHPHQPFKPCJDJJ-OAQYLSRUSA-N 2 2 374.529 0.719 10 0 FCAELP CN(C)C(=O)C[N@H+]1CCCN(C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001560146275 1269192846 /nfs/dbraw/zinc/19/28/46/1269192846.db2.gz GHPHQPFKPCJDJJ-OAQYLSRUSA-N 2 2 374.529 0.719 10 0 FCAELP CN(C)C(=O)C[NH+]1CCCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001560146275 1269192848 /nfs/dbraw/zinc/19/28/48/1269192848.db2.gz GHPHQPFKPCJDJJ-OAQYLSRUSA-N 2 2 374.529 0.719 10 0 FCAELP CN(C)C(=O)C[NH+]1CCCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001560146275 1269192853 /nfs/dbraw/zinc/19/28/53/1269192853.db2.gz GHPHQPFKPCJDJJ-OAQYLSRUSA-N 2 2 374.529 0.719 10 0 FCAELP CCOC(=O)COCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001564778349 1269436156 /nfs/dbraw/zinc/43/61/56/1269436156.db2.gz CKCADBSOFLWEOU-CQSZACIVSA-N 2 2 356.467 0.034 10 0 FCAELP CCOC(=O)COCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001564778349 1269436159 /nfs/dbraw/zinc/43/61/59/1269436159.db2.gz CKCADBSOFLWEOU-CQSZACIVSA-N 2 2 356.467 0.034 10 0 FCAELP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H]1CC ZINC001566020326 1269557348 /nfs/dbraw/zinc/55/73/48/1269557348.db2.gz HZQRLXWFGNNXPS-BHYGNILZSA-N 2 2 361.490 0.859 10 0 FCAELP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H]1CC ZINC001566020326 1269557349 /nfs/dbraw/zinc/55/73/49/1269557349.db2.gz HZQRLXWFGNNXPS-BHYGNILZSA-N 2 2 361.490 0.859 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)Cc2nnc3n2CCOC3)CC[N@@H+]1C ZINC001566456419 1269644261 /nfs/dbraw/zinc/64/42/61/1269644261.db2.gz FIIYNORCJPASDP-LSDHHAIUSA-N 2 2 364.494 0.477 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)Cc2nnc3n2CCOC3)CC[N@H+]1C ZINC001566456419 1269644264 /nfs/dbraw/zinc/64/42/64/1269644264.db2.gz FIIYNORCJPASDP-LSDHHAIUSA-N 2 2 364.494 0.477 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCCC[N@H+](C)Cc2nnc3n2CCOC3)CC[NH+]1C ZINC001566456419 1269644269 /nfs/dbraw/zinc/64/42/69/1269644269.db2.gz FIIYNORCJPASDP-LSDHHAIUSA-N 2 2 364.494 0.477 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCCC[N@@H+](C)Cc2nnc3n2CCOC3)CC[NH+]1C ZINC001566456419 1269644274 /nfs/dbraw/zinc/64/42/74/1269644274.db2.gz FIIYNORCJPASDP-LSDHHAIUSA-N 2 2 364.494 0.477 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CCCS(=O)(=O)CC)C2)CC[N@@H+]1C ZINC001566662159 1269656196 /nfs/dbraw/zinc/65/61/96/1269656196.db2.gz IICFAYLEGGSPEB-OWCLPIDISA-N 2 2 359.536 0.732 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CCCS(=O)(=O)CC)C2)CC[N@H+]1C ZINC001566662159 1269656197 /nfs/dbraw/zinc/65/61/97/1269656197.db2.gz IICFAYLEGGSPEB-OWCLPIDISA-N 2 2 359.536 0.732 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@H+](CCCS(=O)(=O)CC)C2)CC[NH+]1C ZINC001566662159 1269656206 /nfs/dbraw/zinc/65/62/06/1269656206.db2.gz IICFAYLEGGSPEB-OWCLPIDISA-N 2 2 359.536 0.732 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCCS(=O)(=O)CC)C2)CC[NH+]1C ZINC001566662159 1269656210 /nfs/dbraw/zinc/65/62/10/1269656210.db2.gz IICFAYLEGGSPEB-OWCLPIDISA-N 2 2 359.536 0.732 10 0 FCAELP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CC1CCS(=O)(=O)CC1 ZINC001567965910 1269715693 /nfs/dbraw/zinc/71/56/93/1269715693.db2.gz NGQXHCPQDUMISN-RBSFLKMASA-N 2 2 368.503 0.822 10 0 FCAELP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CC1CCS(=O)(=O)CC1 ZINC001567965910 1269715700 /nfs/dbraw/zinc/71/57/00/1269715700.db2.gz NGQXHCPQDUMISN-RBSFLKMASA-N 2 2 368.503 0.822 10 0 FCAELP CC(C)NC(=O)NCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001569018418 1269760395 /nfs/dbraw/zinc/76/03/95/1269760395.db2.gz JMVQJDXMCSTPLN-MGPQQGTHSA-N 2 2 350.467 0.326 10 0 FCAELP CO[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001343082330 1269761753 /nfs/dbraw/zinc/76/17/53/1269761753.db2.gz GFEOLZKTVNYRGY-HZPDHXFCSA-N 2 2 362.474 0.914 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCn2cncn2)C1 ZINC001569685270 1269796293 /nfs/dbraw/zinc/79/62/93/1269796293.db2.gz MRGMUKBIIFQQOP-RKVPGOIHSA-N 2 2 357.462 0.644 10 0 FCAELP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCCC[C@@H]1C[NH2+]CCCO ZINC001570088659 1269839494 /nfs/dbraw/zinc/83/94/94/1269839494.db2.gz CBSYMPVASOTPGX-KURKYZTESA-N 2 2 369.506 0.219 10 0 FCAELP CCN(C)C(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001571368328 1269928387 /nfs/dbraw/zinc/92/83/87/1269928387.db2.gz BMTMRBVDOLSJRZ-OAGGEKHMSA-N 2 2 361.490 0.829 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2nnc(C)n2C2CC2)CC[N@@H+]1C ZINC001571430277 1269932692 /nfs/dbraw/zinc/93/26/92/1269932692.db2.gz VKCAURZGYRRFFQ-CWRNSKLLSA-N 2 2 364.494 0.218 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2nnc(C)n2C2CC2)CC[N@H+]1C ZINC001571430277 1269932699 /nfs/dbraw/zinc/93/26/99/1269932699.db2.gz VKCAURZGYRRFFQ-CWRNSKLLSA-N 2 2 364.494 0.218 10 0 FCAELP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001344276279 1270126865 /nfs/dbraw/zinc/12/68/65/1270126865.db2.gz QJBRFOQQMRGVDO-ARFHVFGLSA-N 2 2 361.490 0.706 10 0 FCAELP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001344276279 1270126868 /nfs/dbraw/zinc/12/68/68/1270126868.db2.gz QJBRFOQQMRGVDO-ARFHVFGLSA-N 2 2 361.490 0.706 10 0 FCAELP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1O ZINC001572997926 1270475584 /nfs/dbraw/zinc/47/55/84/1270475584.db2.gz PJDNVEWPJXBGEV-CVEARBPZSA-N 2 2 359.430 0.206 10 0 FCAELP O=C(CCCn1cc[nH+]c1)N1C[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001573057719 1270577185 /nfs/dbraw/zinc/57/71/85/1270577185.db2.gz SYYUQYRIGDVGDV-IAGOWNOFSA-N 2 2 359.474 0.818 10 0 FCAELP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001574017687 1270997170 /nfs/dbraw/zinc/99/71/70/1270997170.db2.gz BTEGIXBZUZUCBW-HZPDHXFCSA-N 2 2 363.506 0.905 10 0 FCAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCC[NH+](C)C ZINC001574329561 1271210373 /nfs/dbraw/zinc/21/03/73/1271210373.db2.gz KDFBUINFUCPUDT-PVAVHDDUSA-N 2 2 361.490 0.943 10 0 FCAELP CC(C)[N@H+](C)CC(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001576387997 1273220196 /nfs/dbraw/zinc/22/01/96/1273220196.db2.gz MFHMUPJWZLIXPM-HZPDHXFCSA-N 2 2 361.490 0.925 10 0 FCAELP CC(C)[N@@H+](C)CC(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001576387997 1273220204 /nfs/dbraw/zinc/22/02/04/1273220204.db2.gz MFHMUPJWZLIXPM-HZPDHXFCSA-N 2 2 361.490 0.925 10 0 FCAELP CC(C)CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001713353816 1287275474 /nfs/dbraw/zinc/27/54/74/1287275474.db2.gz BYIKBWQKDONRKI-ARFHVFGLSA-N 2 2 361.490 0.734 10 0 FCAELP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]Cc1nc(N(C)C)no1 ZINC001714076160 1287311195 /nfs/dbraw/zinc/31/11/95/1287311195.db2.gz RFLMNZGQZZBIDD-MELADBBJSA-N 2 2 352.483 0.850 10 0 FCAELP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)[NH2+]Cc1nc(N(C)C)no1 ZINC001714076160 1287311202 /nfs/dbraw/zinc/31/12/02/1287311202.db2.gz RFLMNZGQZZBIDD-MELADBBJSA-N 2 2 352.483 0.850 10 0 FCAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)NC(=O)COC1CC[NH+](C)CC1 ZINC001579763709 1277886211 /nfs/dbraw/zinc/88/62/11/1277886211.db2.gz WKIAASFIFZXFDS-NWANDNLSSA-N 2 2 363.462 0.245 10 0 FCAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)NC(=O)COC1CC[NH+](C)CC1 ZINC001579763709 1277886219 /nfs/dbraw/zinc/88/62/19/1277886219.db2.gz WKIAASFIFZXFDS-NWANDNLSSA-N 2 2 363.462 0.245 10 0 FCAELP CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CCS(C)(=O)=O ZINC001715499464 1287353903 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Cc1csc(=O)n1CC[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001264493825 859367616 /nfs/dbraw/zinc/36/76/16/859367616.db2.gz BCZLAKLPWPQSNM-LSDHHAIUSA-N 2 2 363.487 0.989 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001264701581 859427135 /nfs/dbraw/zinc/42/71/35/859427135.db2.gz ZFSWNESMEONEBA-OLZOCXBDSA-N 2 2 353.467 0.025 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1CC(=O)NC(N)=O ZINC001264701581 859427137 /nfs/dbraw/zinc/42/71/37/859427137.db2.gz ZFSWNESMEONEBA-OLZOCXBDSA-N 2 2 353.467 0.025 10 0 FCAELP CCS(=O)(=O)CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001265483197 859461160 /nfs/dbraw/zinc/46/11/60/859461160.db2.gz NBEYIUGJAVWMQM-AAVRWANBSA-N 2 2 354.476 0.575 10 0 FCAELP CCS(=O)(=O)CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001265483197 859461166 /nfs/dbraw/zinc/46/11/66/859461166.db2.gz NBEYIUGJAVWMQM-AAVRWANBSA-N 2 2 354.476 0.575 10 0 FCAELP COC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001265487618 859461223 /nfs/dbraw/zinc/46/12/23/859461223.db2.gz BUKGSUHKBJSYBV-VIQHNZTISA-N 2 2 355.479 0.138 10 0 FCAELP Cc1nsc(C)c1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001272522475 860174947 /nfs/dbraw/zinc/17/49/47/860174947.db2.gz ZLXUMYOEZTTZKS-BFHYXJOUSA-N 2 2 363.487 0.864 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1CC(=O)NCC1CC1 ZINC001316735229 867430112 /nfs/dbraw/zinc/43/01/12/867430112.db2.gz CFTLGHXYQYRPTH-BBWFWOEESA-N 2 2 350.507 0.966 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1CC(=O)NCC1CC1 ZINC001316735229 867430117 /nfs/dbraw/zinc/43/01/17/867430117.db2.gz CFTLGHXYQYRPTH-BBWFWOEESA-N 2 2 350.507 0.966 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1CC(=O)NCC1CC1 ZINC001316735229 867430120 /nfs/dbraw/zinc/43/01/20/867430120.db2.gz CFTLGHXYQYRPTH-BBWFWOEESA-N 2 2 350.507 0.966 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1CC(=O)NCC1CC1 ZINC001316735229 867430127 /nfs/dbraw/zinc/43/01/27/867430127.db2.gz CFTLGHXYQYRPTH-BBWFWOEESA-N 2 2 350.507 0.966 10 0 FCAELP CCS(=O)(=O)CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001316791739 867489571 /nfs/dbraw/zinc/48/95/71/867489571.db2.gz YIESSVAMMNUQCB-OWCLPIDISA-N 2 2 361.552 0.976 10 0 FCAELP CCS(=O)(=O)CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001316791739 867489580 /nfs/dbraw/zinc/48/95/80/867489580.db2.gz YIESSVAMMNUQCB-OWCLPIDISA-N 2 2 361.552 0.976 10 0 FCAELP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001345844797 871521340 /nfs/dbraw/zinc/52/13/40/871521340.db2.gz VWTLOJGUCWQOLH-INIZCTEOSA-N 2 2 371.547 0.686 10 0 FCAELP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001345844797 871521354 /nfs/dbraw/zinc/52/13/54/871521354.db2.gz VWTLOJGUCWQOLH-INIZCTEOSA-N 2 2 371.547 0.686 10 0 FCAELP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[NH+]3C2)CC1 ZINC001347328264 872278367 /nfs/dbraw/zinc/27/83/67/872278367.db2.gz WWMPGCXQZSBCIL-ZACQAIPSSA-N 2 2 350.507 0.777 10 0 FCAELP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[NH+]3C2)CC1 ZINC001347328264 872278388 /nfs/dbraw/zinc/27/83/88/872278388.db2.gz WWMPGCXQZSBCIL-ZACQAIPSSA-N 2 2 350.507 0.777 10 0 FCAELP CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@@H+]3C2)CC1 ZINC001347328264 872278408 /nfs/dbraw/zinc/27/84/08/872278408.db2.gz WWMPGCXQZSBCIL-ZACQAIPSSA-N 2 2 350.507 0.777 10 0 FCAELP CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@H+]3C2)CC1 ZINC001347328264 872278427 /nfs/dbraw/zinc/27/84/27/872278427.db2.gz WWMPGCXQZSBCIL-ZACQAIPSSA-N 2 2 350.507 0.777 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2nc(C(C)C)ns2)CC[N@@H+]1C ZINC001331712254 873209993 /nfs/dbraw/zinc/20/99/93/873209993.db2.gz MUICQJPFHJNSLH-HZSPNIEDSA-N 2 2 369.535 0.959 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2nc(C(C)C)ns2)CC[N@H+]1C ZINC001331712254 873210006 /nfs/dbraw/zinc/21/00/06/873210006.db2.gz MUICQJPFHJNSLH-HZSPNIEDSA-N 2 2 369.535 0.959 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC(=O)N=S(C)(C)=O)CC2)CC1 ZINC001332284451 873436077 /nfs/dbraw/zinc/43/60/77/873436077.db2.gz LWXPJHHDVSJYKR-UHFFFAOYSA-N 2 2 373.523 0.098 10 0 FCAELP Cc1cc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)sn1 ZINC001332574641 873563370 /nfs/dbraw/zinc/56/33/70/873563370.db2.gz FUQPKOOYYLPYBH-BPLDGKMQSA-N 2 2 363.487 0.898 10 0 FCAELP C[NH+]1CCN(C2CCN(C(=O)C3C[NH+](C4CCOCC4)C3)CC2)CC1 ZINC001333073633 873789518 /nfs/dbraw/zinc/78/95/18/873789518.db2.gz OHBXSFXUKBQAHB-UHFFFAOYSA-N 2 2 350.507 0.336 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)n1 ZINC001333250577 873874100 /nfs/dbraw/zinc/87/41/00/873874100.db2.gz VLNAEPZNDSJIMU-AWEZNQCLSA-N 2 2 365.503 0.518 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)n1 ZINC001333250577 873874119 /nfs/dbraw/zinc/87/41/19/873874119.db2.gz VLNAEPZNDSJIMU-AWEZNQCLSA-N 2 2 365.503 0.518 10 0 FCAELP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292089622 214077407 /nfs/dbraw/zinc/07/74/07/214077407.db2.gz GMWQLCQTYUHDGH-SUMWQHHRSA-N 2 2 366.487 0.689 10 0 FCAELP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292089622 214077408 /nfs/dbraw/zinc/07/74/08/214077408.db2.gz GMWQLCQTYUHDGH-SUMWQHHRSA-N 2 2 366.487 0.689 10 0 FCAELP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292089622 214077410 /nfs/dbraw/zinc/07/74/10/214077410.db2.gz GMWQLCQTYUHDGH-SUMWQHHRSA-N 2 2 366.487 0.689 10 0 FCAELP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292089622 214077411 /nfs/dbraw/zinc/07/74/11/214077411.db2.gz GMWQLCQTYUHDGH-SUMWQHHRSA-N 2 2 366.487 0.689 10 0 FCAELP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292099395 214077520 /nfs/dbraw/zinc/07/75/20/214077520.db2.gz HRNVYJOTALJZEZ-DYVFJYSZSA-N 2 2 366.487 0.689 10 0 FCAELP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292099395 214077523 /nfs/dbraw/zinc/07/75/23/214077523.db2.gz HRNVYJOTALJZEZ-DYVFJYSZSA-N 2 2 366.487 0.689 10 0 FCAELP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292099395 214077525 /nfs/dbraw/zinc/07/75/25/214077525.db2.gz HRNVYJOTALJZEZ-DYVFJYSZSA-N 2 2 366.487 0.689 10 0 FCAELP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292099395 214077527 /nfs/dbraw/zinc/07/75/27/214077527.db2.gz HRNVYJOTALJZEZ-DYVFJYSZSA-N 2 2 366.487 0.689 10 0 FCAELP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292264869 214090022 /nfs/dbraw/zinc/09/00/22/214090022.db2.gz YZXKAZRTINSOOI-VQIMIIECSA-N 2 2 358.490 0.541 10 0 FCAELP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292264869 214090024 /nfs/dbraw/zinc/09/00/24/214090024.db2.gz YZXKAZRTINSOOI-VQIMIIECSA-N 2 2 358.490 0.541 10 0 FCAELP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292264869 214090025 /nfs/dbraw/zinc/09/00/25/214090025.db2.gz YZXKAZRTINSOOI-VQIMIIECSA-N 2 2 358.490 0.541 10 0 FCAELP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292264869 214090027 /nfs/dbraw/zinc/09/00/27/214090027.db2.gz YZXKAZRTINSOOI-VQIMIIECSA-N 2 2 358.490 0.541 10 0 FCAELP C[C@H]1C[C@H](NC(=O)C(=O)NCc2nc(C[NH+](C)C)cs2)C[N@@H+]1C1CC1 ZINC000930478129 674030684 /nfs/dbraw/zinc/03/06/84/674030684.db2.gz BUFLKDMDZPTSDJ-RYUDHWBXSA-N 2 2 365.503 0.562 10 0 FCAELP C[C@H]1C[C@H](NC(=O)C(=O)NCc2nc(C[NH+](C)C)cs2)C[N@H+]1C1CC1 ZINC000930478129 674030688 /nfs/dbraw/zinc/03/06/88/674030688.db2.gz BUFLKDMDZPTSDJ-RYUDHWBXSA-N 2 2 365.503 0.562 10 0 FCAELP C[NH+]1CCC(OCC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000930504712 674032309 /nfs/dbraw/zinc/03/23/09/674032309.db2.gz GJQFWKCCHXRHQV-KRWDZBQOSA-N 2 2 357.520 0.421 10 0 FCAELP CN(C)c1nc(N2CC[NH+](CC3CCS(=O)(=O)CC3)CC2)cc[nH+]1 ZINC000409448140 529813118 /nfs/dbraw/zinc/81/31/18/529813118.db2.gz FXFPJRGWMQYJEV-UHFFFAOYSA-N 2 2 353.492 0.489 10 0 FCAELP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000333462489 215285964 /nfs/dbraw/zinc/28/59/64/215285964.db2.gz UWUNSPZUKHECPF-AWEZNQCLSA-N 2 2 354.476 0.636 10 0 FCAELP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC000333462489 215285966 /nfs/dbraw/zinc/28/59/66/215285966.db2.gz UWUNSPZUKHECPF-AWEZNQCLSA-N 2 2 354.476 0.636 10 0 FCAELP CCOC1CC(CNC(=O)N2CC[NH2+]C[C@](C)(F)C2)([NH+]2CCOCC2)C1 ZINC000333650672 215304440 /nfs/dbraw/zinc/30/44/40/215304440.db2.gz VQYWSMNLXCNUOH-NXYGQSRBSA-N 2 2 372.485 0.599 10 0 FCAELP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333645928 215304955 /nfs/dbraw/zinc/30/49/55/215304955.db2.gz JABVHYSMZSHVQV-SJORKVTESA-N 2 2 365.522 0.857 10 0 FCAELP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333898965 215330059 /nfs/dbraw/zinc/33/00/59/215330059.db2.gz ZMPDGLUMYMIVAF-JKSUJKDBSA-N 2 2 351.495 0.467 10 0 FCAELP C[C@]1(F)C[NH2+]CCN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000333952240 215333205 /nfs/dbraw/zinc/33/32/05/215333205.db2.gz ZUCICPOOVXLIAB-KRWDZBQOSA-N 2 2 351.426 0.761 10 0 FCAELP C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000930912868 674075227 /nfs/dbraw/zinc/07/52/27/674075227.db2.gz CZAQEAOOWBLPRV-KFWWJZLASA-N 2 2 354.495 0.188 10 0 FCAELP C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000930912868 674075231 /nfs/dbraw/zinc/07/52/31/674075231.db2.gz CZAQEAOOWBLPRV-KFWWJZLASA-N 2 2 354.495 0.188 10 0 FCAELP CCNC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000361324436 215389405 /nfs/dbraw/zinc/38/94/05/215389405.db2.gz AMXUWANULLXPTO-HUUCEWRRSA-N 2 2 366.510 0.258 10 0 FCAELP CCNC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000361324436 215389406 /nfs/dbraw/zinc/38/94/06/215389406.db2.gz AMXUWANULLXPTO-HUUCEWRRSA-N 2 2 366.510 0.258 10 0 FCAELP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000284085519 213070471 /nfs/dbraw/zinc/07/04/71/213070471.db2.gz VKSNXMOXVKAOPU-NVXWUHKLSA-N 2 2 357.458 0.677 10 0 FCAELP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000283833041 213015477 /nfs/dbraw/zinc/01/54/77/213015477.db2.gz AHPYUMUSLSWCPQ-HZPDHXFCSA-N 2 2 370.457 0.873 10 0 FCAELP COCC(COC)[NH+]1CCN(C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000413111681 237281821 /nfs/dbraw/zinc/28/18/21/237281821.db2.gz QDMSYNBIELAEQS-UHFFFAOYSA-N 2 2 372.510 0.087 10 0 FCAELP C[NH+]1CCN(C(=O)C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)CC1 ZINC000367406999 216118078 /nfs/dbraw/zinc/11/80/78/216118078.db2.gz YYRNWISIKSWVAU-KRWDZBQOSA-N 2 2 362.518 0.875 10 0 FCAELP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000367742732 216155994 /nfs/dbraw/zinc/15/59/94/216155994.db2.gz BOAIPGZLMRNINO-SJORKVTESA-N 2 2 354.495 0.603 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000246200851 209381949 /nfs/dbraw/zinc/38/19/49/209381949.db2.gz VWTKBXLVWGEILF-ROUUACIJSA-N 3 2 354.539 0.733 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000246200851 209381951 /nfs/dbraw/zinc/38/19/51/209381951.db2.gz VWTKBXLVWGEILF-ROUUACIJSA-N 3 2 354.539 0.733 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000246200851 209381955 /nfs/dbraw/zinc/38/19/55/209381955.db2.gz VWTKBXLVWGEILF-ROUUACIJSA-N 3 2 354.539 0.733 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000246200851 209381956 /nfs/dbraw/zinc/38/19/56/209381956.db2.gz VWTKBXLVWGEILF-ROUUACIJSA-N 3 2 354.539 0.733 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@@H](n3cncn3)C2)C1 ZINC000245842103 209377599 /nfs/dbraw/zinc/37/75/99/209377599.db2.gz ZYGSZNMNLGSSAP-SJORKVTESA-N 2 2 364.494 0.388 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@@H](n3cncn3)C2)C1 ZINC000245842103 209377602 /nfs/dbraw/zinc/37/76/02/209377602.db2.gz ZYGSZNMNLGSSAP-SJORKVTESA-N 2 2 364.494 0.388 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@@H](n3cncn3)C2)C1 ZINC000245842103 209377603 /nfs/dbraw/zinc/37/76/03/209377603.db2.gz ZYGSZNMNLGSSAP-SJORKVTESA-N 2 2 364.494 0.388 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC[C@@H](n3cncn3)C2)C1 ZINC000245842103 209377605 /nfs/dbraw/zinc/37/76/05/209377605.db2.gz ZYGSZNMNLGSSAP-SJORKVTESA-N 2 2 364.494 0.388 10 0 FCAELP O=C([C@@H]1COCC[NH2+]1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000237756019 209356163 /nfs/dbraw/zinc/35/61/63/209356163.db2.gz IJUYVDSCSWVIFT-INIZCTEOSA-N 2 2 353.850 0.851 10 0 FCAELP COc1ccc(C[NH+]2CCN(C(=O)CN3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)CC2)cc1 ZINC000193623405 209317221 /nfs/dbraw/zinc/31/72/21/209317221.db2.gz XNZSQMVESRKSQF-KDURUIRLSA-N 2 2 372.513 0.833 10 0 FCAELP COc1ccc(C[NH+]2CCN(C(=O)CN3C[C@@H]4C[N@H+](C)C[C@@H]4C3)CC2)cc1 ZINC000193623405 209317228 /nfs/dbraw/zinc/31/72/28/209317228.db2.gz XNZSQMVESRKSQF-KDURUIRLSA-N 2 2 372.513 0.833 10 0 FCAELP CCOC1CC(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)([NH+]2CCOCC2)C1 ZINC000194991517 209331447 /nfs/dbraw/zinc/33/14/47/209331447.db2.gz PAIREWSRYKZLFS-MUYFXNHWSA-N 2 2 366.506 0.746 10 0 FCAELP CCOC1CC(CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)([NH+]2CCOCC2)C1 ZINC000194991517 209331451 /nfs/dbraw/zinc/33/14/51/209331451.db2.gz PAIREWSRYKZLFS-MUYFXNHWSA-N 2 2 366.506 0.746 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](C)c2nnc3ccccn32)C1 ZINC000193321864 209311640 /nfs/dbraw/zinc/31/16/40/209311640.db2.gz YMXISNUSORQBEA-JKSUJKDBSA-N 2 2 374.489 0.853 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](C)c2nnc3ccccn32)C1 ZINC000193321864 209311645 /nfs/dbraw/zinc/31/16/45/209311645.db2.gz YMXISNUSORQBEA-JKSUJKDBSA-N 2 2 374.489 0.853 10 0 FCAELP CN1CC[NH+]([C@@H]2CCCCN(S(=O)(=O)CC[NH+]3CCCC3)C2)CC1 ZINC000192821825 209305993 /nfs/dbraw/zinc/30/59/93/209305993.db2.gz WXBDJYCVCDZJOK-QGZVFWFLSA-N 2 2 358.552 0.514 10 0 FCAELP CCOC[C@H](C)[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000368888435 216312917 /nfs/dbraw/zinc/31/29/17/216312917.db2.gz KTSLSGFQGDPNHC-JKSUJKDBSA-N 2 2 363.506 0.848 10 0 FCAELP CCOC[C@@H](C)[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000368888434 216313027 /nfs/dbraw/zinc/31/30/27/216313027.db2.gz KTSLSGFQGDPNHC-HZPDHXFCSA-N 2 2 363.506 0.848 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCNC(=O)c3ccccc3)C2)CC1 ZINC000369392348 216394956 /nfs/dbraw/zinc/39/49/56/216394956.db2.gz HHHPOAVONDRDIA-QGZVFWFLSA-N 2 2 373.501 0.884 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCNC(=O)c3ccccc3)C2)CC1 ZINC000369392348 216394959 /nfs/dbraw/zinc/39/49/59/216394959.db2.gz HHHPOAVONDRDIA-QGZVFWFLSA-N 2 2 373.501 0.884 10 0 FCAELP C[C@@H]1CN(c2ccc(CNC(=O)c3[nH]nc4c3C[NH2+]CC4)c[nH+]2)C[C@H](C)O1 ZINC000188714998 209235172 /nfs/dbraw/zinc/23/51/72/209235172.db2.gz XORIPOMGEDIGPG-BETUJISGSA-N 2 2 370.457 0.994 10 0 FCAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCN(C(=O)C[NH+](C)C)CC1)C2 ZINC000373535097 217029469 /nfs/dbraw/zinc/02/94/69/217029469.db2.gz QFTUYYBUYHSKCL-AWEZNQCLSA-N 2 2 361.490 0.870 10 0 FCAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCN(C(=O)C[NH+](C)C)CC1)CC2 ZINC000373535097 217029471 /nfs/dbraw/zinc/02/94/71/217029471.db2.gz QFTUYYBUYHSKCL-AWEZNQCLSA-N 2 2 361.490 0.870 10 0 FCAELP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000373532332 217029641 /nfs/dbraw/zinc/02/96/41/217029641.db2.gz GCKSFSUYAXWJOY-JCYILVPMSA-N 2 2 354.495 0.338 10 0 FCAELP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000415603031 245444710 /nfs/dbraw/zinc/44/47/10/245444710.db2.gz AAJISLZKXMVGOA-YJBOKZPZSA-N 2 2 373.501 0.487 10 0 FCAELP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2cnn(-c3ccccc3)n2)CC1 ZINC000375000017 217202536 /nfs/dbraw/zinc/20/25/36/217202536.db2.gz UPOBCBVFUJVAQY-UHFFFAOYSA-N 2 2 357.458 0.926 10 0 FCAELP CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000375315249 217248296 /nfs/dbraw/zinc/24/82/96/217248296.db2.gz BDIGTNRSDAMXOB-ROUUACIJSA-N 2 2 357.539 0.531 10 0 FCAELP CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000375315249 217248299 /nfs/dbraw/zinc/24/82/99/217248299.db2.gz BDIGTNRSDAMXOB-ROUUACIJSA-N 2 2 357.539 0.531 10 0 FCAELP O=C(NCCCNc1cccc[nH+]1)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000419659828 246233389 /nfs/dbraw/zinc/23/33/89/246233389.db2.gz ZRBDJXLTFMRGHN-INIZCTEOSA-N 2 2 368.441 0.568 10 0 FCAELP C[C@H]1CCN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[C@H]1C[NH3+] ZINC000419643320 246229006 /nfs/dbraw/zinc/22/90/06/246229006.db2.gz JAJIJVANOPRLLT-LSDHHAIUSA-N 2 2 359.474 0.610 10 0 FCAELP C[C@@H](NC(=O)C(=O)NCC1([NH3+])CCCCCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000419676919 246243280 /nfs/dbraw/zinc/24/32/80/246243280.db2.gz CDBACMXYSMUJQT-HUUCEWRRSA-N 2 2 354.495 0.380 10 0 FCAELP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)C(=O)NC1CC[NH2+]CC1 ZINC000419705962 246261389 /nfs/dbraw/zinc/26/13/89/246261389.db2.gz BULGMPADXBBFKM-UHFFFAOYSA-N 2 2 364.877 0.683 10 0 FCAELP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)C(=O)NC1CC[NH2+]CC1 ZINC000419705962 246261392 /nfs/dbraw/zinc/26/13/92/246261392.db2.gz BULGMPADXBBFKM-UHFFFAOYSA-N 2 2 364.877 0.683 10 0 FCAELP [NH3+]C1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC000419715431 246265361 /nfs/dbraw/zinc/26/53/61/246265361.db2.gz VPZDPHMOVMMGPM-UHFFFAOYSA-N 2 2 364.877 0.764 10 0 FCAELP [NH3+]C1CCN(C(=O)C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC000419715431 246265366 /nfs/dbraw/zinc/26/53/66/246265366.db2.gz VPZDPHMOVMMGPM-UHFFFAOYSA-N 2 2 364.877 0.764 10 0 FCAELP [NH3+][C@@H](CNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000419739287 246277907 /nfs/dbraw/zinc/27/79/07/246277907.db2.gz ZHEWSEVHMSCYEA-HOTGVXAUSA-N 2 2 353.426 0.593 10 0 FCAELP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)NC3CC[NH2+]CC3)CC2)s1 ZINC000419856333 246326255 /nfs/dbraw/zinc/32/62/55/246326255.db2.gz XUUKXRMOGGWXCP-UHFFFAOYSA-N 2 2 364.515 0.823 10 0 FCAELP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000419895341 246355644 /nfs/dbraw/zinc/35/56/44/246355644.db2.gz SFMQMHVJHIBTAL-GJZGRUSLSA-N 2 2 359.474 0.794 10 0 FCAELP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000423453395 247029512 /nfs/dbraw/zinc/02/95/12/247029512.db2.gz XJMSYEVTHQWIOG-IYBDPMFKSA-N 2 2 366.506 0.156 10 0 FCAELP C[C@@H]1CN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@]1(C)C[NH3+] ZINC000423973492 247156205 /nfs/dbraw/zinc/15/62/05/247156205.db2.gz CFVXEQYGJNHLEH-OXQOHEQNSA-N 2 2 373.501 0.954 10 0 FCAELP O=C(C(=O)N1CCC2(CC[NH2+]2)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000423718633 247124991 /nfs/dbraw/zinc/12/49/91/247124991.db2.gz DADQAZROMPJQBJ-UHFFFAOYSA-N 2 2 362.499 0.747 10 0 FCAELP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000424341273 247197761 /nfs/dbraw/zinc/19/77/61/247197761.db2.gz ZUFQIJQIYNODFN-ZIAGYGMSSA-N 2 2 350.488 0.892 10 0 FCAELP O=C(N[C@@H](CO)C[NH+]1CCOCC1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000425287848 247314858 /nfs/dbraw/zinc/31/48/58/247314858.db2.gz JXBCMXKKEKZQIW-GOSISDBHSA-N 2 2 356.426 0.670 10 0 FCAELP CC(C)[C@@H]1CC[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000438483392 248088512 /nfs/dbraw/zinc/08/85/12/248088512.db2.gz NCDPAPBASMWWFM-OAHLLOKOSA-N 2 2 371.489 0.990 10 0 FCAELP CC(C)[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000438483392 248088516 /nfs/dbraw/zinc/08/85/16/248088516.db2.gz NCDPAPBASMWWFM-OAHLLOKOSA-N 2 2 371.489 0.990 10 0 FCAELP CC[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(=O)NC ZINC000458461363 249664950 /nfs/dbraw/zinc/66/49/50/249664950.db2.gz FCEZBHGPGMKDTH-HNNXBMFYSA-N 2 2 353.511 0.761 10 0 FCAELP CC(=O)N1CC[NH+](CCNC(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000471392457 250100887 /nfs/dbraw/zinc/10/08/87/250100887.db2.gz HRQWLSZIWZBDRV-UHFFFAOYSA-N 2 2 358.486 0.715 10 0 FCAELP CC(=O)N1CC[NH+](CCNC(=O)CC[N@H+]2CCc3ccccc3C2)CC1 ZINC000471392457 250100895 /nfs/dbraw/zinc/10/08/95/250100895.db2.gz HRQWLSZIWZBDRV-UHFFFAOYSA-N 2 2 358.486 0.715 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C(=O)NC2CC2)C1 ZINC000054986152 208002845 /nfs/dbraw/zinc/00/28/45/208002845.db2.gz MWHBHVDRIYNJSB-DLBZAZTESA-N 2 2 366.506 0.202 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C(=O)NC2CC2)C1 ZINC000054986152 208002852 /nfs/dbraw/zinc/00/28/52/208002852.db2.gz MWHBHVDRIYNJSB-DLBZAZTESA-N 2 2 366.506 0.202 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)C1 ZINC000054986152 208002858 /nfs/dbraw/zinc/00/28/58/208002858.db2.gz MWHBHVDRIYNJSB-DLBZAZTESA-N 2 2 366.506 0.202 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)C1 ZINC000054986152 208002864 /nfs/dbraw/zinc/00/28/64/208002864.db2.gz MWHBHVDRIYNJSB-DLBZAZTESA-N 2 2 366.506 0.202 10 0 FCAELP C[NH+]1CCN(c2cc(CNC(=O)N3CC[NH+](C4CC4)CC3)ccn2)CC1 ZINC000105115499 208192970 /nfs/dbraw/zinc/19/29/70/208192970.db2.gz CGVKMSCKWKFFLC-UHFFFAOYSA-N 2 2 358.490 0.823 10 0 FCAELP COc1ccccc1C[NH+]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000105283411 208196122 /nfs/dbraw/zinc/19/61/22/208196122.db2.gz MEUVRUSEAWBSJR-KRWDZBQOSA-N 2 2 362.474 0.853 10 0 FCAELP COc1ccccc1C[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000105283411 208196126 /nfs/dbraw/zinc/19/61/26/208196126.db2.gz MEUVRUSEAWBSJR-KRWDZBQOSA-N 2 2 362.474 0.853 10 0 FCAELP CC(C)CNC(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106122439 208212376 /nfs/dbraw/zinc/21/23/76/208212376.db2.gz OYDAMZFIDSDDPV-QZTJIDSGSA-N 2 2 354.539 0.874 10 0 FCAELP CC(C)CNC(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106122439 208212382 /nfs/dbraw/zinc/21/23/82/208212382.db2.gz OYDAMZFIDSDDPV-QZTJIDSGSA-N 2 2 354.539 0.874 10 0 FCAELP C[N@H+](CCN1C(=O)NC(C)(C)C1=O)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129037 208214785 /nfs/dbraw/zinc/21/47/85/208214785.db2.gz VVYMMEBGQCXBGJ-UHFFFAOYSA-N 2 2 362.478 0.610 10 0 FCAELP C[N@@H+](CCN1C(=O)NC(C)(C)C1=O)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129037 208214790 /nfs/dbraw/zinc/21/47/90/208214790.db2.gz VVYMMEBGQCXBGJ-UHFFFAOYSA-N 2 2 362.478 0.610 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCCN(Cc3cnn(C)c3)CC2)CC1 ZINC000106157727 208215143 /nfs/dbraw/zinc/21/51/43/208215143.db2.gz VCCVNVQSVSJCEZ-QGZVFWFLSA-N 2 2 362.522 0.480 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCCN(Cc3cnn(C)c3)CC2)CC1 ZINC000106157727 208215146 /nfs/dbraw/zinc/21/51/46/208215146.db2.gz VCCVNVQSVSJCEZ-QGZVFWFLSA-N 2 2 362.522 0.480 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCC[N@H+](Cc3cnn(C)c3)CC2)CC1 ZINC000106157727 208215151 /nfs/dbraw/zinc/21/51/51/208215151.db2.gz VCCVNVQSVSJCEZ-QGZVFWFLSA-N 2 2 362.522 0.480 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)CC1 ZINC000106157727 208215157 /nfs/dbraw/zinc/21/51/57/208215157.db2.gz VCCVNVQSVSJCEZ-QGZVFWFLSA-N 2 2 362.522 0.480 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000108553326 208248756 /nfs/dbraw/zinc/24/87/56/208248756.db2.gz XFGWJXPQWIZZCK-ROUUACIJSA-N 2 2 367.538 0.519 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000108553326 208248762 /nfs/dbraw/zinc/24/87/62/208248762.db2.gz XFGWJXPQWIZZCK-ROUUACIJSA-N 2 2 367.538 0.519 10 0 FCAELP C[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000111587891 208283249 /nfs/dbraw/zinc/28/32/49/208283249.db2.gz PVSMWQFTCZIRLL-CRAIPNDOSA-N 2 2 364.465 0.783 10 0 FCAELP C[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000111587891 208283257 /nfs/dbraw/zinc/28/32/57/208283257.db2.gz PVSMWQFTCZIRLL-CRAIPNDOSA-N 2 2 364.465 0.783 10 0 FCAELP Cn1cc(N2CC[C@H]([N@H+](C)C3CC[NH+](CCn4cccn4)CC3)C2=O)cn1 ZINC000111690460 208284018 /nfs/dbraw/zinc/28/40/18/208284018.db2.gz SHURCYXJXLJHKB-SFHVURJKSA-N 2 2 371.489 0.818 10 0 FCAELP Cn1cc(N2CC[C@H]([N@@H+](C)C3CC[NH+](CCn4cccn4)CC3)C2=O)cn1 ZINC000111690460 208284025 /nfs/dbraw/zinc/28/40/25/208284025.db2.gz SHURCYXJXLJHKB-SFHVURJKSA-N 2 2 371.489 0.818 10 0 FCAELP C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000114720948 208314332 /nfs/dbraw/zinc/31/43/32/208314332.db2.gz KSGKXCQOXOOTIL-SQNIBIBYSA-N 2 2 352.523 0.772 10 0 FCAELP C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000114720948 208314339 /nfs/dbraw/zinc/31/43/39/208314339.db2.gz KSGKXCQOXOOTIL-SQNIBIBYSA-N 2 2 352.523 0.772 10 0 FCAELP CN1CC[NH+](Cc2ccc(C(=O)N3CCO[C@H](C[NH+](C)C)C3)cc2)CC1 ZINC000116977828 208340595 /nfs/dbraw/zinc/34/05/95/208340595.db2.gz BLOUABNLJCQLIF-LJQANCHMSA-N 2 2 360.502 0.837 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC000118842094 208352234 /nfs/dbraw/zinc/35/22/34/208352234.db2.gz VWTKBXLVWGEILF-MSOLQXFVSA-N 3 2 354.539 0.733 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC000118842094 208352238 /nfs/dbraw/zinc/35/22/38/208352238.db2.gz VWTKBXLVWGEILF-MSOLQXFVSA-N 3 2 354.539 0.733 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC000118842094 208352241 /nfs/dbraw/zinc/35/22/41/208352241.db2.gz VWTKBXLVWGEILF-MSOLQXFVSA-N 3 2 354.539 0.733 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC000118842094 208352243 /nfs/dbraw/zinc/35/22/43/208352243.db2.gz VWTKBXLVWGEILF-MSOLQXFVSA-N 3 2 354.539 0.733 10 0 FCAELP Cn1cc(N2CC[C@@H]([N@@H+]3CCCC[C@H](N4CC[NH+](C)CC4)C3)C2=O)cn1 ZINC000120236310 208377309 /nfs/dbraw/zinc/37/73/09/208377309.db2.gz UPKHVDDXPNYRNS-FUHWJXTLSA-N 2 2 360.506 0.627 10 0 FCAELP Cn1cc(N2CC[C@@H]([N@H+]3CCCC[C@H](N4CC[NH+](C)CC4)C3)C2=O)cn1 ZINC000120236310 208377313 /nfs/dbraw/zinc/37/73/13/208377313.db2.gz UPKHVDDXPNYRNS-FUHWJXTLSA-N 2 2 360.506 0.627 10 0 FCAELP CC(=O)N1CSC[C@H]1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000120106486 208373951 /nfs/dbraw/zinc/37/39/51/208373951.db2.gz QQLMWJFETNSYFX-INIZCTEOSA-N 2 2 354.520 0.583 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C[C@H]1[NH+]1CCOCC1 ZINC000180258989 209092998 /nfs/dbraw/zinc/09/29/98/209092998.db2.gz HHWPCXOFANMAOL-RDTXWAMCSA-N 2 2 372.469 0.750 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C[C@H]1[NH+]1CCOCC1 ZINC000180258989 209093002 /nfs/dbraw/zinc/09/30/02/209093002.db2.gz HHWPCXOFANMAOL-RDTXWAMCSA-N 2 2 372.469 0.750 10 0 FCAELP O=C(CCC(=O)N1CC[N@@H+]2CCC[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000178112832 209042245 /nfs/dbraw/zinc/04/22/45/209042245.db2.gz LEGLLNMZAMYSEI-KRWDZBQOSA-N 2 2 371.485 0.817 10 0 FCAELP O=C(CCC(=O)N1CC[N@H+]2CCC[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000178112832 209042249 /nfs/dbraw/zinc/04/22/49/209042249.db2.gz LEGLLNMZAMYSEI-KRWDZBQOSA-N 2 2 371.485 0.817 10 0 FCAELP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000178958757 209067688 /nfs/dbraw/zinc/06/76/88/209067688.db2.gz ROZDKRQOLAWZSZ-GOSISDBHSA-N 2 2 373.501 0.583 10 0 FCAELP CC[N@@H+]1CCc2nc[nH]c2C12CCN(c1cc(NCCO)[nH+]c(N)n1)CC2 ZINC000091425487 132201302 /nfs/dbraw/zinc/20/13/02/132201302.db2.gz KJTSTRJANGXRMY-UHFFFAOYSA-N 2 2 372.477 0.560 10 0 FCAELP CC[N@H+]1CCc2nc[nH]c2C12CCN(c1cc(NCCO)[nH+]c(N)n1)CC2 ZINC000091425487 132201304 /nfs/dbraw/zinc/20/13/04/132201304.db2.gz KJTSTRJANGXRMY-UHFFFAOYSA-N 2 2 372.477 0.560 10 0 FCAELP CC[N@@H+]1CCc2nc[nH]c2C12CCN(c1cc(NCCO)nc(N)[nH+]1)CC2 ZINC000091425487 132201305 /nfs/dbraw/zinc/20/13/05/132201305.db2.gz KJTSTRJANGXRMY-UHFFFAOYSA-N 2 2 372.477 0.560 10 0 FCAELP CC[N@H+]1CCc2nc[nH]c2C12CCN(c1cc(NCCO)nc(N)[nH+]1)CC2 ZINC000091425487 132201308 /nfs/dbraw/zinc/20/13/08/132201308.db2.gz KJTSTRJANGXRMY-UHFFFAOYSA-N 2 2 372.477 0.560 10 0 FCAELP C[NH+](C)C1CCN(CCNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000179285360 209074900 /nfs/dbraw/zinc/07/49/00/209074900.db2.gz XBKDRNGXEIBNIO-QGZVFWFLSA-N 2 2 353.511 0.129 10 0 FCAELP NC(=O)C[NH+]1CCC(C(=O)NC[C@@H](c2cccnc2)[NH+]2CCCCC2)CC1 ZINC000097696117 222205302 /nfs/dbraw/zinc/20/53/02/222205302.db2.gz TVYNBPDGXHWLMF-SFHVURJKSA-N 2 2 373.501 0.922 10 0 FCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000163170519 229201464 /nfs/dbraw/zinc/20/14/64/229201464.db2.gz MPTZOGMLJFIRPP-GFCCVEGCSA-N 2 2 357.418 0.130 10 0 FCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000163170519 229201468 /nfs/dbraw/zinc/20/14/68/229201468.db2.gz MPTZOGMLJFIRPP-GFCCVEGCSA-N 2 2 357.418 0.130 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C[C@H](C)[N@H+]1CCO ZINC000410448618 230083821 /nfs/dbraw/zinc/08/38/21/230083821.db2.gz TVDGVYVDMIBRET-OKILXGFUSA-N 2 2 363.462 0.029 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C[C@H](C)[N@@H+]1CCO ZINC000410448618 230083825 /nfs/dbraw/zinc/08/38/25/230083825.db2.gz TVDGVYVDMIBRET-OKILXGFUSA-N 2 2 363.462 0.029 10 0 FCAELP COCC[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000410456491 230086122 /nfs/dbraw/zinc/08/61/22/230086122.db2.gz ZIPPVFHVRZCYDS-KRWDZBQOSA-N 2 2 366.506 0.254 10 0 FCAELP C[NH+](C)C1(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CCOCC1 ZINC000932824471 674221469 /nfs/dbraw/zinc/22/14/69/674221469.db2.gz KUBBQITWIOESEZ-CVEARBPZSA-N 2 2 355.479 0.093 10 0 FCAELP C[C@@H](O)CNc1cc(N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)nc[nH+]1 ZINC000413158061 533715598 /nfs/dbraw/zinc/71/55/98/533715598.db2.gz VFJVMINNHIJGCB-CYBMUJFWSA-N 2 2 358.450 0.452 10 0 FCAELP Cc1cc(NCCNC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000627402395 484359109 /nfs/dbraw/zinc/35/91/09/484359109.db2.gz DTDWJZOXDXFJQC-AWEZNQCLSA-N 2 2 362.478 0.552 10 0 FCAELP Cc1cc(NCCNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000627418677 484359594 /nfs/dbraw/zinc/35/95/94/484359594.db2.gz YPIZOZPTLURXPR-JSGCOSHPSA-N 2 2 362.478 0.551 10 0 FCAELP Cc1cc(NCC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)nc(C(C)C)[nH+]1 ZINC000629594511 484364177 /nfs/dbraw/zinc/36/41/77/484364177.db2.gz VBHXRRXPQNEJEH-INIZCTEOSA-N 3 2 350.511 0.518 10 0 FCAELP C[NH+](C)C1(CNC(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2)CCC1 ZINC000287756678 488902168 /nfs/dbraw/zinc/90/21/68/488902168.db2.gz LUDGWDRMLOPLTE-UHFFFAOYSA-N 2 2 356.430 0.484 10 0 FCAELP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)CC1 ZINC000278907135 488903573 /nfs/dbraw/zinc/90/35/73/488903573.db2.gz QAASCOJUYJGRDW-NRFANRHFSA-N 2 2 370.497 0.851 10 0 FCAELP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@]3(CNC(=O)C3)C2)CC1 ZINC000278907135 488903577 /nfs/dbraw/zinc/90/35/77/488903577.db2.gz QAASCOJUYJGRDW-NRFANRHFSA-N 2 2 370.497 0.851 10 0 FCAELP Cn1cc(C[N@@H+]2CCC[C@H](n3ncc(N4CC[NH+](C)CC4)cc3=O)C2)cn1 ZINC000328608500 488923308 /nfs/dbraw/zinc/92/33/08/488923308.db2.gz ZDLQVPKVBYVFBV-KRWDZBQOSA-N 2 2 371.489 0.566 10 0 FCAELP Cn1cc(C[N@H+]2CCC[C@H](n3ncc(N4CC[NH+](C)CC4)cc3=O)C2)cn1 ZINC000328608500 488923311 /nfs/dbraw/zinc/92/33/11/488923311.db2.gz ZDLQVPKVBYVFBV-KRWDZBQOSA-N 2 2 371.489 0.566 10 0 FCAELP C[C@@H](O)C[NH+]1CCN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000328601408 488922329 /nfs/dbraw/zinc/92/23/29/488922329.db2.gz FLBQKUJKVQSNIC-MRXNPFEDSA-N 2 2 366.531 0.391 10 0 FCAELP CN(C(=O)N[C@@H]1CCC(=O)N(C)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364278138 488943036 /nfs/dbraw/zinc/94/30/36/488943036.db2.gz HIUVULTXFWCDOC-ZBFHGGJFSA-N 2 2 351.495 0.417 10 0 FCAELP CN(C(=O)N[C@@H]1CCC(=O)N(C)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364278138 488943037 /nfs/dbraw/zinc/94/30/37/488943037.db2.gz HIUVULTXFWCDOC-ZBFHGGJFSA-N 2 2 351.495 0.417 10 0 FCAELP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)CC1 ZINC000329109010 488969641 /nfs/dbraw/zinc/96/96/41/488969641.db2.gz FTTCEHVZKKDGDR-APWZRJJASA-N 2 2 357.458 0.250 10 0 FCAELP CC(C)[C@@H](CNC(=O)NCCCC[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000057782478 488275687 /nfs/dbraw/zinc/27/56/87/488275687.db2.gz NKAHYISZGVHRHQ-QGZVFWFLSA-N 2 2 356.511 0.755 10 0 FCAELP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000073653510 488385737 /nfs/dbraw/zinc/38/57/37/488385737.db2.gz KCEDBAOHTWSSLY-GJZGRUSLSA-N 2 2 353.511 0.711 10 0 FCAELP CNC(=O)[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C(C)C ZINC000183656948 488393646 /nfs/dbraw/zinc/39/36/46/488393646.db2.gz NRWWSHAGIYTCOC-SFHVURJKSA-N 2 2 362.474 0.818 10 0 FCAELP CC[C@@H]1CN(C(=O)NC2CC[NH+](CCN(C)C)CC2)CC[N@H+]1C[C@@H](C)O ZINC000184807936 488397424 /nfs/dbraw/zinc/39/74/24/488397424.db2.gz FKVJPYJOQGVVMC-SJLPKXTDSA-N 2 2 369.554 0.499 10 0 FCAELP C[C@@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@H]1C ZINC000185316659 488400322 /nfs/dbraw/zinc/40/03/22/488400322.db2.gz MEWYPBYQMGOOJU-HZPDHXFCSA-N 2 2 355.527 0.109 10 0 FCAELP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000554352603 491197541 /nfs/dbraw/zinc/19/75/41/491197541.db2.gz RIQGPILIPRHJTJ-SJORKVTESA-N 2 2 364.490 0.053 10 0 FCAELP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000079496036 488429879 /nfs/dbraw/zinc/42/98/79/488429879.db2.gz AIPAZYIJYRBTSE-KRWDZBQOSA-N 2 2 367.538 0.912 10 0 FCAELP CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000079929376 488432460 /nfs/dbraw/zinc/43/24/60/488432460.db2.gz YHKHZCKYJQMIDV-MRXNPFEDSA-N 2 2 364.515 0.945 10 0 FCAELP CN(C)C(=O)[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000079929376 488432463 /nfs/dbraw/zinc/43/24/63/488432463.db2.gz YHKHZCKYJQMIDV-MRXNPFEDSA-N 2 2 364.515 0.945 10 0 FCAELP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000569846074 491198116 /nfs/dbraw/zinc/19/81/16/491198116.db2.gz PGDLMJZACKOTTO-GJZGRUSLSA-N 2 2 352.431 0.591 10 0 FCAELP OCCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000569846074 491198121 /nfs/dbraw/zinc/19/81/21/491198121.db2.gz PGDLMJZACKOTTO-GJZGRUSLSA-N 2 2 352.431 0.591 10 0 FCAELP CC[NH+]1CCN(CC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000081265044 488440322 /nfs/dbraw/zinc/44/03/22/488440322.db2.gz BUZOPIUXMRYYLF-UHFFFAOYSA-N 2 2 360.506 0.087 10 0 FCAELP CC[NH+]1CCN(CC(=O)N[C@@H](C)C2([NH+]3CCOCC3)CCCC2)CC1 ZINC000085293192 488450981 /nfs/dbraw/zinc/45/09/81/488450981.db2.gz ZNBVMDDOYVBDGR-KRWDZBQOSA-N 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CC[NH+]1CCN(C(=O)[C@@H](C)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)CC1 ZINC000249685672 488513733 /nfs/dbraw/zinc/51/37/33/488513733.db2.gz GYPCAZSVLLMZOF-DLBZAZTESA-N 2 2 352.523 0.724 10 0 FCAELP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000111865675 488532173 /nfs/dbraw/zinc/53/21/73/488532173.db2.gz UEVWJETXWUTJGS-INIZCTEOSA-N 2 2 364.494 0.358 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261984245 488544468 /nfs/dbraw/zinc/54/44/68/488544468.db2.gz RXUHABXISOMNLG-RCCFBDPRSA-N 3 2 352.523 0.676 10 0 FCAELP C[NH2+]CCC1CC[NH+](CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000261996120 488544850 /nfs/dbraw/zinc/54/48/50/488544850.db2.gz OAQCSJDOSFOJCY-KRWDZBQOSA-N 2 2 373.563 0.980 10 0 FCAELP CC[C@H]1CN(C(=O)NCCCC[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC000117478685 488551665 /nfs/dbraw/zinc/55/16/65/488551665.db2.gz VJZXVQKENSZCAT-KRWDZBQOSA-N 2 2 356.511 0.851 10 0 FCAELP CC[C@H]1CN(C(=O)NCCCC[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC000117478685 488551667 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ADCNGGFNNLUBLJ-OAHLLOKOSA-N 2 2 368.526 0.458 10 0 FCAELP CCNC(=O)N1CC[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000120603967 488562431 /nfs/dbraw/zinc/56/24/31/488562431.db2.gz ADCNGGFNNLUBLJ-OAHLLOKOSA-N 2 2 368.526 0.458 10 0 FCAELP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000570030714 491211288 /nfs/dbraw/zinc/21/12/88/491211288.db2.gz GFSDCGWUBSLYAI-UHFFFAOYSA-N 2 2 359.474 0.719 10 0 FCAELP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000570030714 491211289 /nfs/dbraw/zinc/21/12/89/491211289.db2.gz GFSDCGWUBSLYAI-UHFFFAOYSA-N 2 2 359.474 0.719 10 0 FCAELP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000128106747 488622190 /nfs/dbraw/zinc/62/21/90/488622190.db2.gz JNKXBWVYKLXGKP-AWEZNQCLSA-N 2 2 361.442 0.917 10 0 FCAELP CN1C(=O)C[C@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@H]1c1cccnc1 ZINC000267187072 488768266 /nfs/dbraw/zinc/76/82/66/488768266.db2.gz AXFQIJTUZDYCPG-PKOBYXMFSA-N 2 2 373.501 0.743 10 0 FCAELP C[C@@H](CNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[N@H+](C)C1CC1 ZINC000159100903 488783322 /nfs/dbraw/zinc/78/33/22/488783322.db2.gz KINDPMCNSGFSBZ-HNNXBMFYSA-N 2 2 365.522 0.713 10 0 FCAELP C[C@@H](CNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[N@@H+](C)C1CC1 ZINC000159100903 488783324 /nfs/dbraw/zinc/78/33/24/488783324.db2.gz KINDPMCNSGFSBZ-HNNXBMFYSA-N 2 2 365.522 0.713 10 0 FCAELP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000163651444 488808415 /nfs/dbraw/zinc/80/84/15/488808415.db2.gz RPBZTUWMYRHYFB-KGLIPLIRSA-N 2 2 368.503 0.995 10 0 FCAELP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000163651444 488808418 /nfs/dbraw/zinc/80/84/18/488808418.db2.gz RPBZTUWMYRHYFB-KGLIPLIRSA-N 2 2 368.503 0.995 10 0 FCAELP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000163651444 488808421 /nfs/dbraw/zinc/80/84/21/488808421.db2.gz RPBZTUWMYRHYFB-KGLIPLIRSA-N 2 2 368.503 0.995 10 0 FCAELP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000163651444 488808423 /nfs/dbraw/zinc/80/84/23/488808423.db2.gz RPBZTUWMYRHYFB-KGLIPLIRSA-N 2 2 368.503 0.995 10 0 FCAELP Cn1ccnc1C[NH+]1CCC(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000170862761 488816939 /nfs/dbraw/zinc/81/69/39/488816939.db2.gz OQARKPUDVQFENL-UHFFFAOYSA-N 2 2 363.506 0.859 10 0 FCAELP O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172742764 488836994 /nfs/dbraw/zinc/83/69/94/488836994.db2.gz OSJBAZSERQGSIB-RBUKOAKNSA-N 2 2 359.470 0.821 10 0 FCAELP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172742764 488836995 /nfs/dbraw/zinc/83/69/95/488836995.db2.gz OSJBAZSERQGSIB-RBUKOAKNSA-N 2 2 359.470 0.821 10 0 FCAELP CNc1cc(N2CCC[C@H]2CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)nc[nH+]1 ZINC000173419510 488842522 /nfs/dbraw/zinc/84/25/22/488842522.db2.gz UJMWDUPFDQEBIT-LSDHHAIUSA-N 2 2 359.478 0.977 10 0 FCAELP CNc1cc(N2CCC[C@H]2CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)nc[nH+]1 ZINC000173419510 488842523 /nfs/dbraw/zinc/84/25/23/488842523.db2.gz UJMWDUPFDQEBIT-LSDHHAIUSA-N 2 2 359.478 0.977 10 0 FCAELP CNc1cc(N2CCC[C@H]2CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)[nH+]cn1 ZINC000173419510 488842524 /nfs/dbraw/zinc/84/25/24/488842524.db2.gz UJMWDUPFDQEBIT-LSDHHAIUSA-N 2 2 359.478 0.977 10 0 FCAELP CNc1cc(N2CCC[C@H]2CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)[nH+]cn1 ZINC000173419510 488842525 /nfs/dbraw/zinc/84/25/25/488842525.db2.gz UJMWDUPFDQEBIT-LSDHHAIUSA-N 2 2 359.478 0.977 10 0 FCAELP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C[C@@H](C)O1 ZINC000173794615 488845367 /nfs/dbraw/zinc/84/53/67/488845367.db2.gz ZXNZDIMXGNQEFS-ZACQAIPSSA-N 2 2 368.522 0.990 10 0 FCAELP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000173890442 488845999 /nfs/dbraw/zinc/84/59/99/488845999.db2.gz IEXSPBFTSGHJAB-SFHVURJKSA-N 2 2 369.554 0.672 10 0 FCAELP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000173890442 488846000 /nfs/dbraw/zinc/84/60/00/488846000.db2.gz IEXSPBFTSGHJAB-SFHVURJKSA-N 2 2 369.554 0.672 10 0 FCAELP CCN1CC[NH+](C[C@H](C)CNC(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000173890453 488846089 /nfs/dbraw/zinc/84/60/89/488846089.db2.gz IEXSPBFTSGHJAB-GOSISDBHSA-N 2 2 369.554 0.672 10 0 FCAELP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000173890453 488846090 /nfs/dbraw/zinc/84/60/90/488846090.db2.gz IEXSPBFTSGHJAB-GOSISDBHSA-N 2 2 369.554 0.672 10 0 FCAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173991489 488846855 /nfs/dbraw/zinc/84/68/55/488846855.db2.gz OLYHECLLHRBWRJ-ROUUACIJSA-N 2 2 373.501 0.525 10 0 FCAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173991489 488846856 /nfs/dbraw/zinc/84/68/56/488846856.db2.gz OLYHECLLHRBWRJ-ROUUACIJSA-N 2 2 373.501 0.525 10 0 FCAELP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000174009785 488847166 /nfs/dbraw/zinc/84/71/66/488847166.db2.gz SHBRWLCVTSBUID-KRWDZBQOSA-N 2 2 360.458 0.620 10 0 FCAELP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174260481 488848080 /nfs/dbraw/zinc/84/80/80/488848080.db2.gz KPLCFTUQRITPFP-FUHWJXTLSA-N 2 2 366.531 0.850 10 0 FCAELP C[C@@H](CNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)[NH+]1CCOCC1 ZINC000174590807 488849938 /nfs/dbraw/zinc/84/99/38/488849938.db2.gz DLPTZELYNIAQOT-KRWDZBQOSA-N 2 2 360.502 0.885 10 0 FCAELP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000175755599 488855492 /nfs/dbraw/zinc/85/54/92/488855492.db2.gz RMWQWKKBAPUCAS-HZPDHXFCSA-N 2 2 354.495 0.459 10 0 FCAELP C[C@@H]1CN(C(=O)NCC[N@H+]2CCOCC2(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000175755599 488855493 /nfs/dbraw/zinc/85/54/93/488855493.db2.gz RMWQWKKBAPUCAS-HZPDHXFCSA-N 2 2 354.495 0.459 10 0 FCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000178321517 488860231 /nfs/dbraw/zinc/86/02/31/488860231.db2.gz JFLLDWAPMYOVBQ-CFVMTHIKSA-N 2 2 354.476 0.348 10 0 FCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000178321517 488860232 /nfs/dbraw/zinc/86/02/32/488860232.db2.gz JFLLDWAPMYOVBQ-CFVMTHIKSA-N 2 2 354.476 0.348 10 0 FCAELP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180936689 488862669 /nfs/dbraw/zinc/86/26/69/488862669.db2.gz RWSSOTYHWAWJGU-OAHLLOKOSA-N 2 2 367.538 0.070 10 0 FCAELP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180936689 488862670 /nfs/dbraw/zinc/86/26/70/488862670.db2.gz RWSSOTYHWAWJGU-OAHLLOKOSA-N 2 2 367.538 0.070 10 0 FCAELP C[C@H](C(=O)N(C)CC(=O)NC1CC1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000180936689 488862671 /nfs/dbraw/zinc/86/26/71/488862671.db2.gz RWSSOTYHWAWJGU-OAHLLOKOSA-N 2 2 367.538 0.070 10 0 FCAELP C[C@H](C(=O)N(C)CC(=O)NC1CC1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000180936689 488862672 /nfs/dbraw/zinc/86/26/72/488862672.db2.gz RWSSOTYHWAWJGU-OAHLLOKOSA-N 2 2 367.538 0.070 10 0 FCAELP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000181724993 488863835 /nfs/dbraw/zinc/86/38/35/488863835.db2.gz HMKZGRVCHUEGIK-DLBZAZTESA-N 2 2 369.554 0.357 10 0 FCAELP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)CCN2CCCS2(=O)=O)CCC[NH+]1C ZINC000329142475 488973716 /nfs/dbraw/zinc/97/37/16/488973716.db2.gz UZKBATQTJADWRC-DOTOQJQBSA-N 2 2 369.535 0.770 10 0 FCAELP Cn1nccc1[C@H]1[C@H](C[NH+](C)CCN2CCCS2(=O)=O)CCC[N@@H+]1C ZINC000329142475 488973720 /nfs/dbraw/zinc/97/37/20/488973720.db2.gz UZKBATQTJADWRC-DOTOQJQBSA-N 2 2 369.535 0.770 10 0 FCAELP Cn1nccc1[C@H]1[C@H](C[NH+](C)CCN2CCCS2(=O)=O)CCC[N@H+]1C ZINC000329142475 488973722 /nfs/dbraw/zinc/97/37/22/488973722.db2.gz UZKBATQTJADWRC-DOTOQJQBSA-N 2 2 369.535 0.770 10 0 FCAELP O=C(CC[N@@H+]1CCc2cncnc2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000329207310 488980781 /nfs/dbraw/zinc/98/07/81/488980781.db2.gz ZYNZWWWUXCPYLA-UHFFFAOYSA-N 2 2 352.442 0.969 10 0 FCAELP O=C(CC[N@H+]1CCc2cncnc2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000329207310 488980783 /nfs/dbraw/zinc/98/07/83/488980783.db2.gz ZYNZWWWUXCPYLA-UHFFFAOYSA-N 2 2 352.442 0.969 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N[C@H](C)C3=CC[N@H+](C)CC3)CC2)cc[nH+]1 ZINC000289938751 489103949 /nfs/dbraw/zinc/10/39/49/489103949.db2.gz YDRWPASKIKJNMA-CQSZACIVSA-N 2 2 372.473 0.200 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N[C@H](C)C3=CC[N@@H+](C)CC3)CC2)cc[nH+]1 ZINC000289938751 489103952 /nfs/dbraw/zinc/10/39/52/489103952.db2.gz YDRWPASKIKJNMA-CQSZACIVSA-N 2 2 372.473 0.200 10 0 FCAELP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC[N@@H+]1C ZINC000290325734 489131440 /nfs/dbraw/zinc/13/14/40/489131440.db2.gz DRZLKHMYHJSZFA-OAGGEKHMSA-N 2 2 359.474 0.718 10 0 FCAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000290705757 489159086 /nfs/dbraw/zinc/15/90/86/489159086.db2.gz WYCDZIBRKIWNJN-OWCLPIDISA-N 2 2 357.458 0.472 10 0 FCAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000290705757 489159088 /nfs/dbraw/zinc/15/90/88/489159088.db2.gz WYCDZIBRKIWNJN-OWCLPIDISA-N 2 2 357.458 0.472 10 0 FCAELP C[C@@H]1CN(c2ccc(CNC(=O)c3cn(CC[NH3+])nn3)c[nH+]2)C[C@H](C)O1 ZINC000563451204 491247991 /nfs/dbraw/zinc/24/79/91/491247991.db2.gz MDADFYPLUVDOIW-BETUJISGSA-N 2 2 359.434 0.175 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)NCC[N@@H+](C)C3CCCC3)CC2)cc[nH+]1 ZINC000286398064 489386785 /nfs/dbraw/zinc/38/67/85/489386785.db2.gz OELZATDPJQMDAH-UHFFFAOYSA-N 2 2 374.489 0.424 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)NCC[N@H+](C)C3CCCC3)CC2)cc[nH+]1 ZINC000286398064 489386789 /nfs/dbraw/zinc/38/67/89/489386789.db2.gz OELZATDPJQMDAH-UHFFFAOYSA-N 2 2 374.489 0.424 10 0 FCAELP CN(C(=O)C(=O)NCc1[nH+]ccn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000286601113 489409083 /nfs/dbraw/zinc/40/90/83/489409083.db2.gz IIXMOLYJQGPFNT-INIZCTEOSA-N 2 2 355.442 0.769 10 0 FCAELP CN(C(=O)C(=O)NCc1[nH+]ccn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000286601113 489409086 /nfs/dbraw/zinc/40/90/86/489409086.db2.gz IIXMOLYJQGPFNT-INIZCTEOSA-N 2 2 355.442 0.769 10 0 FCAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000570675531 491257259 /nfs/dbraw/zinc/25/72/59/491257259.db2.gz PFPALFUZXOEIOH-HUUCEWRRSA-N 2 2 352.431 0.855 10 0 FCAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000570675531 491257261 /nfs/dbraw/zinc/25/72/61/491257261.db2.gz PFPALFUZXOEIOH-HUUCEWRRSA-N 2 2 352.431 0.855 10 0 FCAELP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000423096290 489492699 /nfs/dbraw/zinc/49/26/99/489492699.db2.gz OPAWQSWUFTWWLW-ZDUSSCGKSA-N 2 2 352.866 0.962 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C[C@@]1(C)C[NH3+] ZINC000423252001 489507043 /nfs/dbraw/zinc/50/70/43/489507043.db2.gz STIBPHZYYFHWOX-GPMSIDNRSA-N 2 2 366.506 0.143 10 0 FCAELP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CCC([NH3+])CC3)CC2)s1 ZINC000423254612 489507983 /nfs/dbraw/zinc/50/79/83/489507983.db2.gz YSQDUURIXGYVRM-UHFFFAOYSA-N 2 2 364.515 0.904 10 0 FCAELP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C2)C1 ZINC000429030360 489671143 /nfs/dbraw/zinc/67/11/43/489671143.db2.gz QYMDONDGTRYIJI-IBGZPJMESA-N 2 2 360.458 0.592 10 0 FCAELP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C2)C1 ZINC000429030360 489671146 /nfs/dbraw/zinc/67/11/46/489671146.db2.gz QYMDONDGTRYIJI-IBGZPJMESA-N 2 2 360.458 0.592 10 0 FCAELP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C2)C1 ZINC000429030360 489671149 /nfs/dbraw/zinc/67/11/49/489671149.db2.gz QYMDONDGTRYIJI-IBGZPJMESA-N 2 2 360.458 0.592 10 0 FCAELP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C2)C1 ZINC000429030360 489671153 /nfs/dbraw/zinc/67/11/53/489671153.db2.gz QYMDONDGTRYIJI-IBGZPJMESA-N 2 2 360.458 0.592 10 0 FCAELP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000418444849 489698937 /nfs/dbraw/zinc/69/89/37/489698937.db2.gz GTXKFKHCDJTUFM-PBHICJAKSA-N 2 2 359.474 0.681 10 0 FCAELP CN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000418808906 489733077 /nfs/dbraw/zinc/73/30/77/489733077.db2.gz RWFOVKXAIOFMNR-GFCCVEGCSA-N 2 2 354.401 0.463 10 0 FCAELP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000418809403 489733940 /nfs/dbraw/zinc/73/39/40/489733940.db2.gz SQBJBUJOUANTJG-OLZOCXBDSA-N 2 2 368.428 0.756 10 0 FCAELP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000418809403 489733941 /nfs/dbraw/zinc/73/39/41/489733941.db2.gz SQBJBUJOUANTJG-OLZOCXBDSA-N 2 2 368.428 0.756 10 0 FCAELP C[NH2+]CCCNC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000418810757 489733996 /nfs/dbraw/zinc/73/39/96/489733996.db2.gz VJTOCGXXDCJYHC-ZDUSSCGKSA-N 2 2 368.428 0.771 10 0 FCAELP C[NH2+]CCCNC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000418810757 489733998 /nfs/dbraw/zinc/73/39/98/489733998.db2.gz VJTOCGXXDCJYHC-ZDUSSCGKSA-N 2 2 368.428 0.771 10 0 FCAELP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000418826290 489741242 /nfs/dbraw/zinc/74/12/42/489741242.db2.gz CJBXKWHEUBOPFW-CQSZACIVSA-N 2 2 362.474 0.550 10 0 FCAELP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418830667 489742947 /nfs/dbraw/zinc/74/29/47/489742947.db2.gz JNQNTGJVBBSOFW-BPQIPLTHSA-N 2 2 374.485 0.118 10 0 FCAELP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418830667 489742954 /nfs/dbraw/zinc/74/29/54/489742954.db2.gz JNQNTGJVBBSOFW-BPQIPLTHSA-N 2 2 374.485 0.118 10 0 FCAELP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418830670 489743830 /nfs/dbraw/zinc/74/38/30/489743830.db2.gz JNQNTGJVBBSOFW-NXHRZFHOSA-N 2 2 374.485 0.118 10 0 FCAELP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418830670 489743835 /nfs/dbraw/zinc/74/38/35/489743835.db2.gz JNQNTGJVBBSOFW-NXHRZFHOSA-N 2 2 374.485 0.118 10 0 FCAELP Cn1cc[nH+]c1CN1CCN(C(=O)NCc2c[nH+]c3n2CCCC3)CC1 ZINC000563912797 491277022 /nfs/dbraw/zinc/27/70/22/491277022.db2.gz WRPGSMRAQALDBK-UHFFFAOYSA-N 2 2 357.462 0.980 10 0 FCAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418883275 489774977 /nfs/dbraw/zinc/77/49/77/489774977.db2.gz CCEOMIRZTMEZIY-UKRRQHHQSA-N 2 2 357.458 0.965 10 0 FCAELP C[C@H]1C[N@H+](CCn2nc3ccccn3c2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490648429 489778416 /nfs/dbraw/zinc/77/84/16/489778416.db2.gz LKNCWOHPSLKSTC-IRXDYDNUSA-N 2 2 358.490 0.454 10 0 FCAELP C[C@H]1C[N@@H+](CCn2nc3ccccn3c2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490648429 489778419 /nfs/dbraw/zinc/77/84/19/489778419.db2.gz LKNCWOHPSLKSTC-IRXDYDNUSA-N 2 2 358.490 0.454 10 0 FCAELP COC(=O)CC[N@@H+]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@@H]1C ZINC000490662084 489778938 /nfs/dbraw/zinc/77/89/38/489778938.db2.gz MZHHOVXMYSPANF-AWEZNQCLSA-N 2 2 357.414 0.977 10 0 FCAELP COC(=O)CC[N@H+]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@@H]1C ZINC000490662084 489778941 /nfs/dbraw/zinc/77/89/41/489778941.db2.gz MZHHOVXMYSPANF-AWEZNQCLSA-N 2 2 357.414 0.977 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418899174 489780736 /nfs/dbraw/zinc/78/07/36/489780736.db2.gz BPRZMDKVQHSPOP-CABCVRRESA-N 2 2 352.385 0.258 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418899174 489780738 /nfs/dbraw/zinc/78/07/38/489780738.db2.gz BPRZMDKVQHSPOP-CABCVRRESA-N 2 2 352.385 0.258 10 0 FCAELP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000418901035 489782197 /nfs/dbraw/zinc/78/21/97/489782197.db2.gz DTHFLJANXQXJBN-HUUCEWRRSA-N 2 2 352.866 0.879 10 0 FCAELP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000418901035 489782203 /nfs/dbraw/zinc/78/22/03/489782203.db2.gz DTHFLJANXQXJBN-HUUCEWRRSA-N 2 2 352.866 0.879 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418903644 489783179 /nfs/dbraw/zinc/78/31/79/489783179.db2.gz IHQFFRZMPFQHAK-WQVCFCJDSA-N 2 2 366.412 0.694 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418903644 489783184 /nfs/dbraw/zinc/78/31/84/489783184.db2.gz IHQFFRZMPFQHAK-WQVCFCJDSA-N 2 2 366.412 0.694 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)[C@H]1c1ccc(F)c(F)c1 ZINC000418903643 489783393 /nfs/dbraw/zinc/78/33/93/489783393.db2.gz IHQFFRZMPFQHAK-VBNZEHGJSA-N 2 2 366.412 0.694 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)[C@H]1c1ccc(F)c(F)c1 ZINC000418903643 489783395 /nfs/dbraw/zinc/78/33/95/489783395.db2.gz IHQFFRZMPFQHAK-VBNZEHGJSA-N 2 2 366.412 0.694 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@@H]1c1ccc(Cl)cc1 ZINC000418906103 489784118 /nfs/dbraw/zinc/78/41/18/489784118.db2.gz KOBZIUYNXRMWNM-ILXRZTDVSA-N 2 2 350.850 0.761 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@@H]1c1ccc(Cl)cc1 ZINC000418906103 489784123 /nfs/dbraw/zinc/78/41/23/489784123.db2.gz KOBZIUYNXRMWNM-ILXRZTDVSA-N 2 2 350.850 0.761 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000418910101 489786199 /nfs/dbraw/zinc/78/61/99/489786199.db2.gz OPYQLZGKGBJAAT-KNXALSJPSA-N 2 2 366.412 0.633 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000418910101 489786204 /nfs/dbraw/zinc/78/62/04/489786204.db2.gz OPYQLZGKGBJAAT-KNXALSJPSA-N 2 2 366.412 0.633 10 0 FCAELP CN(CC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000418910609 489786555 /nfs/dbraw/zinc/78/65/55/489786555.db2.gz OYUXVOUIUJLZPB-KGLIPLIRSA-N 2 2 356.829 0.758 10 0 FCAELP CN(CC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000418910609 489786558 /nfs/dbraw/zinc/78/65/58/489786558.db2.gz OYUXVOUIUJLZPB-KGLIPLIRSA-N 2 2 356.829 0.758 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000418912898 489787457 /nfs/dbraw/zinc/78/74/57/489787457.db2.gz RXGZXCUGIWTZDA-XFBWCDHKSA-N 2 2 366.412 0.647 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000418912898 489787462 /nfs/dbraw/zinc/78/74/62/489787462.db2.gz RXGZXCUGIWTZDA-XFBWCDHKSA-N 2 2 366.412 0.647 10 0 FCAELP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000418914150 489788563 /nfs/dbraw/zinc/78/85/63/489788563.db2.gz SZJXBNCXEVWEMV-CABCVRRESA-N 2 2 352.866 0.927 10 0 FCAELP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000418914150 489788567 /nfs/dbraw/zinc/78/85/67/489788567.db2.gz SZJXBNCXEVWEMV-CABCVRRESA-N 2 2 352.866 0.927 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000418916737 489789681 /nfs/dbraw/zinc/78/96/81/489789681.db2.gz XHMXCMYTRHMNID-BYCMXARLSA-N 2 2 352.385 0.386 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000418916737 489789684 /nfs/dbraw/zinc/78/96/84/489789684.db2.gz XHMXCMYTRHMNID-BYCMXARLSA-N 2 2 352.385 0.386 10 0 FCAELP C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000418916145 489790383 /nfs/dbraw/zinc/79/03/83/489790383.db2.gz WHDLTTWVSJRVPL-IIMNLJJBSA-N 2 2 356.829 0.804 10 0 FCAELP C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000418916145 489790385 /nfs/dbraw/zinc/79/03/85/489790385.db2.gz WHDLTTWVSJRVPL-IIMNLJJBSA-N 2 2 356.829 0.804 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)C[C@H]1CCCO1 ZINC000459918555 489793585 /nfs/dbraw/zinc/79/35/85/489793585.db2.gz IYOUIYRFOHZNQD-MRXNPFEDSA-N 2 2 354.495 0.108 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)C[C@H]1CCCO1 ZINC000459918555 489793587 /nfs/dbraw/zinc/79/35/87/489793587.db2.gz IYOUIYRFOHZNQD-MRXNPFEDSA-N 2 2 354.495 0.108 10 0 FCAELP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000459928222 489797446 /nfs/dbraw/zinc/79/74/46/489797446.db2.gz CBGAXWMHHZQHJG-UHFFFAOYSA-N 2 2 350.507 0.873 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000459996145 489812928 /nfs/dbraw/zinc/81/29/28/489812928.db2.gz PRMBUAUKJGOXIT-KRWDZBQOSA-N 2 2 373.501 0.839 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000459996145 489812929 /nfs/dbraw/zinc/81/29/29/489812929.db2.gz PRMBUAUKJGOXIT-KRWDZBQOSA-N 2 2 373.501 0.839 10 0 FCAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCO[C@@]3(CCCOC3)C2)CC1 ZINC000376921864 489818682 /nfs/dbraw/zinc/81/86/82/489818682.db2.gz ZXZURRODXURCCI-SFHVURJKSA-N 2 2 354.495 0.603 10 0 FCAELP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000431773046 489818761 /nfs/dbraw/zinc/81/87/61/489818761.db2.gz NRBNJADZTPMWFD-IAGOWNOFSA-N 2 2 366.506 0.300 10 0 FCAELP C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000431773046 489818765 /nfs/dbraw/zinc/81/87/65/489818765.db2.gz NRBNJADZTPMWFD-IAGOWNOFSA-N 2 2 366.506 0.300 10 0 FCAELP CC(C)[C@@H]1C[C@@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000475422324 489826028 /nfs/dbraw/zinc/82/60/28/489826028.db2.gz QFIUOQCTYKLGPG-ROUUACIJSA-N 2 2 364.534 0.975 10 0 FCAELP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000492629673 489832530 /nfs/dbraw/zinc/83/25/30/489832530.db2.gz OGAYXPHBWDVRTG-UHFFFAOYSA-N 3 2 351.539 0.299 10 0 FCAELP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000492629673 489832536 /nfs/dbraw/zinc/83/25/36/489832536.db2.gz OGAYXPHBWDVRTG-UHFFFAOYSA-N 3 2 351.539 0.299 10 0 FCAELP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000419073732 489846456 /nfs/dbraw/zinc/84/64/56/489846456.db2.gz LERXVBJEXRHRAB-UHOFOFEASA-N 2 2 373.432 0.879 10 0 FCAELP [NH3+]CCCNC(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000419112270 489860074 /nfs/dbraw/zinc/86/00/74/489860074.db2.gz UZFUJYDNWCXCTM-UHFFFAOYSA-N 2 2 367.881 0.043 10 0 FCAELP [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000420067716 489901159 /nfs/dbraw/zinc/90/11/59/489901159.db2.gz SWQOPDJFYJBTKR-GOEBONIOSA-N 2 2 359.474 0.779 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)CC2)cc[nH+]1 ZINC000420088300 489907459 /nfs/dbraw/zinc/90/74/59/489907459.db2.gz QVWZVARFNVEUJM-HNNXBMFYSA-N 2 2 360.462 0.067 10 0 FCAELP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377466256 489907932 /nfs/dbraw/zinc/90/79/32/489907932.db2.gz XFOGZIZMFHRTSW-IRXDYDNUSA-N 2 2 366.506 0.158 10 0 FCAELP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377466256 489907936 /nfs/dbraw/zinc/90/79/36/489907936.db2.gz XFOGZIZMFHRTSW-IRXDYDNUSA-N 2 2 366.506 0.158 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@H](CO)c2cnn(C)c2)CC1 ZINC000494804442 489914933 /nfs/dbraw/zinc/91/49/33/489914933.db2.gz COIBUJXRCBFELV-QFBILLFUSA-N 2 2 371.485 0.949 10 0 FCAELP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000420364905 489968654 /nfs/dbraw/zinc/96/86/54/489968654.db2.gz PNODGCUWXYZHTF-CQSZACIVSA-N 2 2 352.504 0.996 10 0 FCAELP CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420402471 489972241 /nfs/dbraw/zinc/97/22/41/489972241.db2.gz QLEYMYXPEAKIDB-DZGCQCFKSA-N 2 2 363.462 0.999 10 0 FCAELP CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420402471 489972244 /nfs/dbraw/zinc/97/22/44/489972244.db2.gz QLEYMYXPEAKIDB-DZGCQCFKSA-N 2 2 363.462 0.999 10 0 FCAELP CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420402472 489972344 /nfs/dbraw/zinc/97/23/44/489972344.db2.gz QLEYMYXPEAKIDB-HIFRSBDPSA-N 2 2 363.462 0.999 10 0 FCAELP CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420402472 489972348 /nfs/dbraw/zinc/97/23/48/489972348.db2.gz QLEYMYXPEAKIDB-HIFRSBDPSA-N 2 2 363.462 0.999 10 0 FCAELP CNC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccc(OC)cc3)CC2)C1 ZINC000420969911 490035428 /nfs/dbraw/zinc/03/54/28/490035428.db2.gz FPILQAVOXXJASI-KRWDZBQOSA-N 2 2 374.485 0.407 10 0 FCAELP CNC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccc(OC)cc3)CC2)C1 ZINC000420969911 490035432 /nfs/dbraw/zinc/03/54/32/490035432.db2.gz FPILQAVOXXJASI-KRWDZBQOSA-N 2 2 374.485 0.407 10 0 FCAELP CC1(C)C[NH+](CC(=O)NCC2(NC(=O)C[NH+]3CC(C)(C)C3)CCC2)C1 ZINC000519774662 490081464 /nfs/dbraw/zinc/08/14/64/490081464.db2.gz LSOAWBNURMDIEO-UHFFFAOYSA-N 2 2 350.507 0.825 10 0 FCAELP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000520230260 490119150 /nfs/dbraw/zinc/11/91/50/490119150.db2.gz IXQSBIHYHUOWRH-QZTJIDSGSA-N 2 2 365.474 0.821 10 0 FCAELP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1 ZINC000520230260 490119153 /nfs/dbraw/zinc/11/91/53/490119153.db2.gz IXQSBIHYHUOWRH-QZTJIDSGSA-N 2 2 365.474 0.821 10 0 FCAELP CCOC(=O)C[C@H](O)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422023552 490128417 /nfs/dbraw/zinc/12/84/17/490128417.db2.gz PVEFMOALSNZCCE-INIZCTEOSA-N 2 2 355.479 0.319 10 0 FCAELP CCOC(=O)C[C@H](O)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422023552 490128423 /nfs/dbraw/zinc/12/84/23/490128423.db2.gz PVEFMOALSNZCCE-INIZCTEOSA-N 2 2 355.479 0.319 10 0 FCAELP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ncccc1S(C)(=O)=O ZINC000571379532 491303810 /nfs/dbraw/zinc/30/38/10/491303810.db2.gz HXUMDRPHHRJKBM-UHFFFAOYSA-N 2 2 371.507 0.120 10 0 FCAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCC[C@](C)(O)COC)CC2)CC1 ZINC000422217895 490202287 /nfs/dbraw/zinc/20/22/87/490202287.db2.gz XUNIONOOVVAKBE-IBGZPJMESA-N 2 2 370.538 0.976 10 0 FCAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCC[C@](C)(O)COC)CC2)CC1 ZINC000422217895 490202300 /nfs/dbraw/zinc/20/23/00/490202300.db2.gz XUNIONOOVVAKBE-IBGZPJMESA-N 2 2 370.538 0.976 10 0 FCAELP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000521008002 490213600 /nfs/dbraw/zinc/21/36/00/490213600.db2.gz IDGJARVWUUEGDB-KBPBESRZSA-N 2 2 373.448 0.322 10 0 FCAELP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CC(C)(C(N)=O)C2)CC1 ZINC000521038705 490217134 /nfs/dbraw/zinc/21/71/34/490217134.db2.gz HICXBYLIPROEIE-UHFFFAOYSA-N 2 2 358.486 0.837 10 0 FCAELP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CC(C)(C(N)=O)C2)CC1 ZINC000521038705 490217140 /nfs/dbraw/zinc/21/71/40/490217140.db2.gz HICXBYLIPROEIE-UHFFFAOYSA-N 2 2 358.486 0.837 10 0 FCAELP Cc1ccc([C@H](CNC(=O)C(=O)NCCc2cn(C)c[nH+]2)[NH+]2CCCC2)o1 ZINC000422290083 490234255 /nfs/dbraw/zinc/23/42/55/490234255.db2.gz CHSFIJMIQUGXBB-INIZCTEOSA-N 2 2 373.457 0.934 10 0 FCAELP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000521363710 490253564 /nfs/dbraw/zinc/25/35/64/490253564.db2.gz DYDFMCFVFMYOTB-ZDUSSCGKSA-N 2 2 361.437 0.179 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000422323536 490258120 /nfs/dbraw/zinc/25/81/20/490258120.db2.gz GECHXWWYTSARLQ-GOSISDBHSA-N 2 2 369.469 0.860 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000422323536 490258125 /nfs/dbraw/zinc/25/81/25/490258125.db2.gz GECHXWWYTSARLQ-GOSISDBHSA-N 2 2 369.469 0.860 10 0 FCAELP CC(C)C[C@H](NC(=O)N[C@@H](C)C[NH+]1CCOCC1)C(=O)NCC[NH+](C)C ZINC000533929226 490301233 /nfs/dbraw/zinc/30/12/33/490301233.db2.gz DZHFQVSUPSTCNQ-HOTGVXAUSA-N 2 2 371.526 0.099 10 0 FCAELP C[C@H]1OCC[C@@H]1[N@H+](CCO)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000483291025 490301933 /nfs/dbraw/zinc/30/19/33/490301933.db2.gz JDVSGBMLBBRPHH-WBVHZDCISA-N 2 2 367.515 0.864 10 0 FCAELP C[C@H]1OCC[C@@H]1[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000483291025 490301945 /nfs/dbraw/zinc/30/19/45/490301945.db2.gz JDVSGBMLBBRPHH-WBVHZDCISA-N 2 2 367.515 0.864 10 0 FCAELP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2C[C@@H]3C[C@H]2CS3)CC1 ZINC000408467411 490344087 /nfs/dbraw/zinc/34/40/87/490344087.db2.gz NQOAPXWCPCXTHR-STQMWFEESA-N 2 2 373.486 0.202 10 0 FCAELP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2C[C@@H]3C[C@H]2CS3)CC1 ZINC000408467411 490344090 /nfs/dbraw/zinc/34/40/90/490344090.db2.gz NQOAPXWCPCXTHR-STQMWFEESA-N 2 2 373.486 0.202 10 0 FCAELP CN(C(=O)c1cccc(O)c1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000509322044 490416416 /nfs/dbraw/zinc/41/64/16/490416416.db2.gz WUUKXFDENFEMRI-UHFFFAOYSA-N 2 2 374.485 0.703 10 0 FCAELP Cc1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)ccc1C[NH+](C)C ZINC000411374283 490441649 /nfs/dbraw/zinc/44/16/49/490441649.db2.gz LKZJLJSXXWBHDM-HNNXBMFYSA-N 2 2 362.474 0.520 10 0 FCAELP Cc1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)ccc1C[NH+](C)C ZINC000411374283 490441658 /nfs/dbraw/zinc/44/16/58/490441658.db2.gz LKZJLJSXXWBHDM-HNNXBMFYSA-N 2 2 362.474 0.520 10 0 FCAELP O=S(=O)(CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)NCc1ccccc1 ZINC000422933553 490501988 /nfs/dbraw/zinc/50/19/88/490501988.db2.gz IAYAQQOUKAEXFA-IAGOWNOFSA-N 2 2 353.488 0.463 10 0 FCAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CC[N@@H+]1C2 ZINC000556742450 491332613 /nfs/dbraw/zinc/33/26/13/491332613.db2.gz GZLJXDUBUWESAY-DLBZAZTESA-N 2 2 353.426 0.598 10 0 FCAELP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)s1 ZINC000422999295 490514831 /nfs/dbraw/zinc/51/48/31/490514831.db2.gz SHWADFSXMJOUAS-ZFWWWQNUSA-N 2 2 359.517 0.691 10 0 FCAELP CN(C)c1ncc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)n1C ZINC000485269701 490521100 /nfs/dbraw/zinc/52/11/00/490521100.db2.gz JVCFRLPTURGWDP-UHFFFAOYSA-N 2 2 362.522 0.862 10 0 FCAELP C[NH2+]C1CCN(C(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC1 ZINC000423021451 490523219 /nfs/dbraw/zinc/52/32/19/490523219.db2.gz FDJXXUDHPZWVFI-UHFFFAOYSA-N 2 2 374.485 0.420 10 0 FCAELP COCCS(=O)(=O)c1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000423072770 490535503 /nfs/dbraw/zinc/53/55/03/490535503.db2.gz HXCUTYDOMNLHKC-ZWKOTPCHSA-N 2 2 368.499 0.963 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)CC1 ZINC000571885827 491335345 /nfs/dbraw/zinc/33/53/45/491335345.db2.gz RMCDKYXUSDQRJI-HNNXBMFYSA-N 2 2 372.535 0.039 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)CC1 ZINC000571885827 491335348 /nfs/dbraw/zinc/33/53/48/491335348.db2.gz RMCDKYXUSDQRJI-HNNXBMFYSA-N 2 2 372.535 0.039 10 0 FCAELP CN(C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000571902977 491336320 /nfs/dbraw/zinc/33/63/20/491336320.db2.gz UYBBUPFYRJDETP-INIZCTEOSA-N 2 2 359.474 0.573 10 0 FCAELP CN(C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000571902977 491336323 /nfs/dbraw/zinc/33/63/23/491336323.db2.gz UYBBUPFYRJDETP-INIZCTEOSA-N 2 2 359.474 0.573 10 0 FCAELP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCN(C[C@H]2CCCC[NH+]2C)CC1 ZINC000501109631 490579816 /nfs/dbraw/zinc/57/98/16/490579816.db2.gz IMQQZDNYUIYMQY-QGZVFWFLSA-N 2 2 367.538 0.071 10 0 FCAELP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCN(C[C@H]2CCCC[NH+]2C)CC1 ZINC000501109631 490579819 /nfs/dbraw/zinc/57/98/19/490579819.db2.gz IMQQZDNYUIYMQY-QGZVFWFLSA-N 2 2 367.538 0.071 10 0 FCAELP CC(C)NC(=O)C[NH+](C)CC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000501109631 490579822 /nfs/dbraw/zinc/57/98/22/490579822.db2.gz IMQQZDNYUIYMQY-QGZVFWFLSA-N 2 2 367.538 0.071 10 0 FCAELP CC(C)NC(=O)C[NH+](C)CC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000501109631 490579824 /nfs/dbraw/zinc/57/98/24/490579824.db2.gz IMQQZDNYUIYMQY-QGZVFWFLSA-N 2 2 367.538 0.071 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCOC[C@H]2C2CCC2)C1 ZINC000564929080 491337662 /nfs/dbraw/zinc/33/76/62/491337662.db2.gz QRLQHJMCLTVFLV-ROUUACIJSA-N 2 2 353.507 0.960 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCOC[C@H]2C2CCC2)C1 ZINC000564929080 491337666 /nfs/dbraw/zinc/33/76/66/491337666.db2.gz QRLQHJMCLTVFLV-ROUUACIJSA-N 2 2 353.507 0.960 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCOC[C@H]2C2CCC2)C1 ZINC000564929080 491337668 /nfs/dbraw/zinc/33/76/68/491337668.db2.gz QRLQHJMCLTVFLV-ROUUACIJSA-N 2 2 353.507 0.960 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCOC[C@H]2C2CCC2)C1 ZINC000564929080 491337671 /nfs/dbraw/zinc/33/76/71/491337671.db2.gz QRLQHJMCLTVFLV-ROUUACIJSA-N 2 2 353.507 0.960 10 0 FCAELP O=C(Cn1cc[nH+]c1)NC[C@@H](Cc1ccccc1)NC(=O)Cn1cc[nH+]c1 ZINC000571937650 491338479 /nfs/dbraw/zinc/33/84/79/491338479.db2.gz DLVQNWDJVSQFMP-QGZVFWFLSA-N 2 2 366.425 0.624 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000511984351 490647479 /nfs/dbraw/zinc/64/74/79/490647479.db2.gz SQZNRXHQJCIKCJ-GTPINHCMSA-N 2 2 366.506 0.299 10 0 FCAELP C[NH+](C)CC1CCC(NC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000550362689 490664500 /nfs/dbraw/zinc/66/45/00/490664500.db2.gz AOZRFYQSKJZPDZ-UHFFFAOYSA-N 2 2 368.522 0.450 10 0 FCAELP C[C@H](O)C[N@@H+]1CCN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)[C@H](C)C1 ZINC000526012638 490665086 /nfs/dbraw/zinc/66/50/86/490665086.db2.gz HVYNVVQZGNPYIJ-CVEARBPZSA-N 2 2 361.490 0.361 10 0 FCAELP C[C@H](O)C[N@H+]1CCN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)[C@H](C)C1 ZINC000526012638 490665089 /nfs/dbraw/zinc/66/50/89/490665089.db2.gz HVYNVVQZGNPYIJ-CVEARBPZSA-N 2 2 361.490 0.361 10 0 FCAELP C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CC1=O ZINC000537985307 490703352 /nfs/dbraw/zinc/70/33/52/490703352.db2.gz YZXSYAQOAXDDOK-NJAFHUGGSA-N 2 2 350.507 0.382 10 0 FCAELP C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CC1=O ZINC000537985307 490703356 /nfs/dbraw/zinc/70/33/56/490703356.db2.gz YZXSYAQOAXDDOK-NJAFHUGGSA-N 2 2 350.507 0.382 10 0 FCAELP O=C(N1CCC[C@H](C[NH+]2CCOCC2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000513323876 490722652 /nfs/dbraw/zinc/72/26/52/490722652.db2.gz SLCXIOOQEVKOEK-QGZVFWFLSA-N 2 2 351.491 0.812 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000515386400 490823545 /nfs/dbraw/zinc/82/35/45/490823545.db2.gz MBWLNBBWVLZBNN-MHORFTMASA-N 3 2 352.523 0.519 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000515386400 490823547 /nfs/dbraw/zinc/82/35/47/490823547.db2.gz MBWLNBBWVLZBNN-MHORFTMASA-N 3 2 352.523 0.519 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000515386400 490823549 /nfs/dbraw/zinc/82/35/49/490823549.db2.gz MBWLNBBWVLZBNN-MHORFTMASA-N 3 2 352.523 0.519 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000515386400 490823550 /nfs/dbraw/zinc/82/35/50/490823550.db2.gz MBWLNBBWVLZBNN-MHORFTMASA-N 3 2 352.523 0.519 10 0 FCAELP C[NH+](C)CCn1ccc(C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)n1 ZINC000516086532 490849728 /nfs/dbraw/zinc/84/97/28/490849728.db2.gz ZJKOQKFLSLHUME-UHFFFAOYSA-N 2 2 370.457 0.540 10 0 FCAELP C[NH+]1CCN(C(=O)C2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)CC2)CC1 ZINC000541774394 490871723 /nfs/dbraw/zinc/87/17/23/490871723.db2.gz PIDZGTXYMZXJII-UHFFFAOYSA-N 2 2 373.501 0.775 10 0 FCAELP C[C@H]([C@H](C)NC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)[NH+]1CCOCC1 ZINC000572268209 491359529 /nfs/dbraw/zinc/35/95/29/491359529.db2.gz JSFJALGUGNSMDZ-WCXIOVBPSA-N 2 2 368.522 0.591 10 0 FCAELP O=C(N1CC[NH2+]CC1)N1CC[NH+](CCCn2c(=O)[nH]c3ccccc32)CC1 ZINC000530227112 490893814 /nfs/dbraw/zinc/89/38/14/490893814.db2.gz ASTWZGHYJRWTJE-UHFFFAOYSA-N 2 2 372.473 0.775 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000517867340 490923508 /nfs/dbraw/zinc/92/35/08/490923508.db2.gz SSXVPAMBHXRJTF-OAHLLOKOSA-N 2 2 362.478 0.534 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000517867340 490923511 /nfs/dbraw/zinc/92/35/11/490923511.db2.gz SSXVPAMBHXRJTF-OAHLLOKOSA-N 2 2 362.478 0.534 10 0 FCAELP [NH3+]CCC1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000518202433 490933096 /nfs/dbraw/zinc/93/30/96/490933096.db2.gz GWLAEZUZZRNJPC-KRWDZBQOSA-N 2 2 366.506 0.287 10 0 FCAELP COc1cccc(N2CC[C@H](CNC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])C2)c1 ZINC000518343933 490937048 /nfs/dbraw/zinc/93/70/48/490937048.db2.gz PMGBEHSKHLYBMT-WBVHZDCISA-N 2 2 361.490 0.806 10 0 FCAELP COc1cccc(N2CC[C@H](CNC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])C2)c1 ZINC000518343933 490937049 /nfs/dbraw/zinc/93/70/49/490937049.db2.gz PMGBEHSKHLYBMT-WBVHZDCISA-N 2 2 361.490 0.806 10 0 FCAELP C[NH+]1CCC(CNC(=O)c2cccc(C(N)=O)n2)([NH+]2CCCCC2)CC1 ZINC000543820334 490948624 /nfs/dbraw/zinc/94/86/24/490948624.db2.gz YNZJAWSZPUKNNC-UHFFFAOYSA-N 2 2 359.474 0.861 10 0 FCAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000543967903 490953313 /nfs/dbraw/zinc/95/33/13/490953313.db2.gz ZKBRSNLWENCNNS-KBMXLJTQSA-N 2 2 374.489 0.693 10 0 FCAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O 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ZINC000683478375 493354497 /nfs/dbraw/zinc/35/44/97/493354497.db2.gz KGVQDHNBPRWIJG-KLHKWILBSA-N 2 2 354.495 0.650 10 0 FCAELP CCOC1CC(CNC(=O)N[C@@H]2CCC[N@@H+](C)C2)([NH+]2CCOCC2)C1 ZINC000683478375 493354500 /nfs/dbraw/zinc/35/45/00/493354500.db2.gz KGVQDHNBPRWIJG-KLHKWILBSA-N 2 2 354.495 0.650 10 0 FCAELP C[C@H]1CN(C)C[C@H]1[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000561402421 491605276 /nfs/dbraw/zinc/60/52/76/491605276.db2.gz ONPLKONEZJGVEC-JKSUJKDBSA-N 2 2 367.519 0.073 10 0 FCAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000576348147 491607115 /nfs/dbraw/zinc/60/71/15/491607115.db2.gz BGUUVJGWHUAWMS-HONMWMINSA-N 2 2 353.382 0.608 10 0 FCAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000576348147 491607120 /nfs/dbraw/zinc/60/71/20/491607120.db2.gz BGUUVJGWHUAWMS-HONMWMINSA-N 2 2 353.382 0.608 10 0 FCAELP CCc1cnc(N2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000568903541 491618634 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362.430 0.376 10 0 FCAELP CN(C(=O)[C@H]1CN(C)C(=O)N1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000612959945 491959861 /nfs/dbraw/zinc/95/98/61/491959861.db2.gz NHFBLHUDTZXHPV-ZACQAIPSSA-N 2 2 365.522 0.806 10 0 FCAELP CN(C(=O)[C@H]1CN(C)C(=O)N1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000612959945 491959863 /nfs/dbraw/zinc/95/98/63/491959863.db2.gz NHFBLHUDTZXHPV-ZACQAIPSSA-N 2 2 365.522 0.806 10 0 FCAELP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595908193 491961185 /nfs/dbraw/zinc/96/11/85/491961185.db2.gz ZOJPOQJZCSXYFC-NEPJUHHUSA-N 2 2 368.400 0.806 10 0 FCAELP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595908193 491961188 /nfs/dbraw/zinc/96/11/88/491961188.db2.gz ZOJPOQJZCSXYFC-NEPJUHHUSA-N 2 2 368.400 0.806 10 0 FCAELP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000595928400 491961850 /nfs/dbraw/zinc/96/18/50/491961850.db2.gz SELXJOJUNYBANK-ZDUSSCGKSA-N 2 2 364.446 0.851 10 0 FCAELP 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370.519 0.980 10 0 FCAELP CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767999 492190699 /nfs/dbraw/zinc/19/06/99/492190699.db2.gz LGTHNLMUYPSFCO-IBGZPJMESA-N 2 2 360.502 0.960 10 0 FCAELP CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767999 492190701 /nfs/dbraw/zinc/19/07/01/492190701.db2.gz LGTHNLMUYPSFCO-IBGZPJMESA-N 2 2 360.502 0.960 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCN1C(=O)COc2ccccc21 ZINC000617768710 492191538 /nfs/dbraw/zinc/19/15/38/492191538.db2.gz RBLIEGJBTDDJNT-UHFFFAOYSA-N 2 2 362.474 0.802 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCN1C(=O)COc2ccccc21 ZINC000617768710 492191541 /nfs/dbraw/zinc/19/15/41/492191541.db2.gz RBLIEGJBTDDJNT-UHFFFAOYSA-N 2 2 362.474 0.802 10 0 FCAELP Cn1nc(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)c2ccccc2c1=O ZINC000617768762 492191558 /nfs/dbraw/zinc/19/15/58/492191558.db2.gz TVGWPXOYLAFBRB-UHFFFAOYSA-N 2 2 359.474 0.476 10 0 FCAELP Cn1nc(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c2ccccc2c1=O ZINC000617768762 492191560 /nfs/dbraw/zinc/19/15/60/492191560.db2.gz TVGWPXOYLAFBRB-UHFFFAOYSA-N 2 2 359.474 0.476 10 0 FCAELP COC(=O)[C@H](C)Oc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1F ZINC000599609015 492193482 /nfs/dbraw/zinc/19/34/82/492193482.db2.gz AOXJYYLLLVHGDS-WCQYABFASA-N 2 2 368.409 0.873 10 0 FCAELP COC(=O)[C@H](C)Oc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1F ZINC000599609015 492193484 /nfs/dbraw/zinc/19/34/84/492193484.db2.gz AOXJYYLLLVHGDS-WCQYABFASA-N 2 2 368.409 0.873 10 0 FCAELP CCC1([NH+]2CCOCC2)CC[NH+](CCc2cn(CC(=O)OC)nn2)CC1 ZINC000599664884 492197961 /nfs/dbraw/zinc/19/79/61/492197961.db2.gz SKIHJVPAXPAYIQ-UHFFFAOYSA-N 2 2 365.478 0.570 10 0 FCAELP CCC1([NH+]2CCOCC2)CC[NH+](CCC(=O)N(C)CC(=O)OC)CC1 ZINC000599668929 492198218 /nfs/dbraw/zinc/19/82/18/492198218.db2.gz JICWIBLNTSZERF-UHFFFAOYSA-N 2 2 355.479 0.585 10 0 FCAELP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000618561237 492231695 /nfs/dbraw/zinc/23/16/95/492231695.db2.gz WBODFXDMMFVIMW-DLBZAZTESA-N 2 2 365.522 0.809 10 0 FCAELP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000618561237 492231696 /nfs/dbraw/zinc/23/16/96/492231696.db2.gz WBODFXDMMFVIMW-DLBZAZTESA-N 2 2 365.522 0.809 10 0 FCAELP CC(C)[C@@H](C(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1)[NH+](C)C ZINC000619940794 492282999 /nfs/dbraw/zinc/28/29/99/492282999.db2.gz CSYASKNZTGINDF-ICSRJNTNSA-N 2 2 363.502 0.952 10 0 FCAELP CC(C)[C@@H](C(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1)[NH+](C)C ZINC000619940794 492283000 /nfs/dbraw/zinc/28/30/00/492283000.db2.gz CSYASKNZTGINDF-ICSRJNTNSA-N 2 2 363.502 0.952 10 0 FCAELP O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654360047 492294186 /nfs/dbraw/zinc/29/41/86/492294186.db2.gz ZUFSBSSNZLMLCX-ZWKOTPCHSA-N 2 2 355.442 0.892 10 0 FCAELP O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654360047 492294188 /nfs/dbraw/zinc/29/41/88/492294188.db2.gz ZUFSBSSNZLMLCX-ZWKOTPCHSA-N 2 2 355.442 0.892 10 0 FCAELP C[C@@H](CNC(=O)NCC[NH+]1CCOC(C)(C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654417401 492300212 /nfs/dbraw/zinc/30/02/12/492300212.db2.gz OMPKHFDHHQXFBW-HRCADAONSA-N 2 2 356.511 0.894 10 0 FCAELP C[C@@H](CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654417401 492300206 /nfs/dbraw/zinc/30/02/06/492300206.db2.gz OMPKHFDHHQXFBW-HRCADAONSA-N 2 2 356.511 0.894 10 0 FCAELP C[C@@H](CNC(=O)NCC[N@H+]1CCOC(C)(C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654417401 492300209 /nfs/dbraw/zinc/30/02/09/492300209.db2.gz OMPKHFDHHQXFBW-HRCADAONSA-N 2 2 356.511 0.894 10 0 FCAELP C[C@@H](CNC(=O)NCC[NH+]1CCOC(C)(C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654417401 492300210 /nfs/dbraw/zinc/30/02/10/492300210.db2.gz OMPKHFDHHQXFBW-HRCADAONSA-N 2 2 356.511 0.894 10 0 FCAELP C[C@@H](CNC(=O)NCC[N@@H+]1CCOCC1(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654426028 492300802 /nfs/dbraw/zinc/30/08/02/492300802.db2.gz DQDUMDMNHALPCQ-HRCADAONSA-N 2 2 356.511 0.894 10 0 FCAELP 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Cc1nnc(CN(C)CC(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)n1C ZINC000634195260 492326458 /nfs/dbraw/zinc/32/64/58/492326458.db2.gz SJDDEKVZBQOAAZ-UHFFFAOYSA-N 2 2 372.477 0.341 10 0 FCAELP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](C)CCN2Cc2ccccc2)C1 ZINC000620723175 492328222 /nfs/dbraw/zinc/32/82/22/492328222.db2.gz LKPAFDNQGBOHPY-RTBURBONSA-N 2 2 360.502 0.640 10 0 FCAELP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](C)CCN2Cc2ccccc2)C1 ZINC000620723175 492328224 /nfs/dbraw/zinc/32/82/24/492328224.db2.gz LKPAFDNQGBOHPY-RTBURBONSA-N 2 2 360.502 0.640 10 0 FCAELP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)C1 ZINC000620723175 492328227 /nfs/dbraw/zinc/32/82/27/492328227.db2.gz LKPAFDNQGBOHPY-RTBURBONSA-N 2 2 360.502 0.640 10 0 FCAELP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)C1 ZINC000620723175 492328229 /nfs/dbraw/zinc/32/82/29/492328229.db2.gz LKPAFDNQGBOHPY-RTBURBONSA-N 2 2 360.502 0.640 10 0 FCAELP C[C@@H](CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654648034 492328318 /nfs/dbraw/zinc/32/83/18/492328318.db2.gz BMWXCJXMAGKWGS-WNRNVDISSA-N 2 2 368.522 0.990 10 0 FCAELP C[C@@H](CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654648034 492328321 /nfs/dbraw/zinc/32/83/21/492328321.db2.gz BMWXCJXMAGKWGS-WNRNVDISSA-N 2 2 368.522 0.990 10 0 FCAELP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000620724213 492328440 /nfs/dbraw/zinc/32/84/40/492328440.db2.gz XVRCXJZXHHCNCV-PMACEKPBSA-N 2 2 371.529 0.309 10 0 FCAELP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000620724213 492328441 /nfs/dbraw/zinc/32/84/41/492328441.db2.gz XVRCXJZXHHCNCV-PMACEKPBSA-N 2 2 371.529 0.309 10 0 FCAELP CN1CC[NH+](Cc2ccccc2)[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000620724213 492328446 /nfs/dbraw/zinc/32/84/46/492328446.db2.gz XVRCXJZXHHCNCV-PMACEKPBSA-N 2 2 371.529 0.309 10 0 FCAELP CN1CC[NH+](Cc2ccccc2)[C@@H](CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000620724213 492328448 /nfs/dbraw/zinc/32/84/48/492328448.db2.gz XVRCXJZXHHCNCV-PMACEKPBSA-N 2 2 371.529 0.309 10 0 FCAELP CN(C)c1ccc(CNC(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])c[nH+]1 ZINC000647594845 492330937 /nfs/dbraw/zinc/33/09/37/492330937.db2.gz RPMCEHNSTTYDFQ-KRWDZBQOSA-N 2 2 367.453 0.849 10 0 FCAELP C[C@H](CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655626 492335265 /nfs/dbraw/zinc/33/52/65/492335265.db2.gz RXXUHLQVLCAFFJ-RZFLPCETSA-N 2 2 368.522 0.989 10 0 FCAELP C[C@H](CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655626 492335267 /nfs/dbraw/zinc/33/52/67/492335267.db2.gz RXXUHLQVLCAFFJ-RZFLPCETSA-N 2 2 368.522 0.989 10 0 FCAELP C[NH+](C)CCn1ccc(C(=O)N2CC[NH+](CCc3cnccn3)CC2)n1 ZINC000634508991 492347205 /nfs/dbraw/zinc/34/72/05/492347205.db2.gz UJRKQLXIWVRCFX-UHFFFAOYSA-N 2 2 357.462 0.235 10 0 FCAELP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)[C@@H](C)C[N@@H+]1CCO ZINC000642744017 492385350 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/nfs/dbraw/zinc/45/60/45/492456045.db2.gz XIURTFWXEOQLQR-SJLPKXTDSA-N 3 2 367.538 0.301 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@H]3CCCC[NH+]3CCO)C2)CC1 ZINC000655552376 492456049 /nfs/dbraw/zinc/45/60/49/492456049.db2.gz XIURTFWXEOQLQR-SJLPKXTDSA-N 3 2 367.538 0.301 10 0 FCAELP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)NC[C@H]3CCCC[N@@H+]3CCO)C2)CC1 ZINC000655552376 492456054 /nfs/dbraw/zinc/45/60/54/492456054.db2.gz XIURTFWXEOQLQR-SJLPKXTDSA-N 3 2 367.538 0.301 10 0 FCAELP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)NC[C@H]3CCCC[N@H+]3CCO)C2)CC1 ZINC000655552376 492456057 /nfs/dbraw/zinc/45/60/57/492456057.db2.gz XIURTFWXEOQLQR-SJLPKXTDSA-N 3 2 367.538 0.301 10 0 FCAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000648814095 492461294 /nfs/dbraw/zinc/46/12/94/492461294.db2.gz NFUPIKWMIRBSGQ-HUUCEWRRSA-N 2 2 370.519 0.974 10 0 FCAELP Cc1ncc(C[NH2+]C[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)o1 ZINC000628252124 492485748 /nfs/dbraw/zinc/48/57/48/492485748.db2.gz IKNXUDYKWMVLBO-HNNXBMFYSA-N 2 2 372.473 0.919 10 0 FCAELP CC[C@@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)[N@@H+]1CCO[C@H](CC)C1 ZINC000649070840 492488385 /nfs/dbraw/zinc/48/83/85/492488385.db2.gz WPJJCOVTRBLKRX-XHSDSOJGSA-N 2 2 354.495 0.454 10 0 FCAELP CC[C@@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)[N@H+]1CCO[C@H](CC)C1 ZINC000649070840 492488390 /nfs/dbraw/zinc/48/83/90/492488390.db2.gz WPJJCOVTRBLKRX-XHSDSOJGSA-N 2 2 354.495 0.454 10 0 FCAELP CC[C@@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)[N@@H+]1CCO[C@H](CC)C1 ZINC000649070839 492488758 /nfs/dbraw/zinc/48/87/58/492488758.db2.gz WPJJCOVTRBLKRX-OAGGEKHMSA-N 2 2 354.495 0.454 10 0 FCAELP CC[C@@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)[N@H+]1CCO[C@H](CC)C1 ZINC000649070839 492488761 /nfs/dbraw/zinc/48/87/61/492488761.db2.gz WPJJCOVTRBLKRX-OAGGEKHMSA-N 2 2 354.495 0.454 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000643541434 492494396 /nfs/dbraw/zinc/49/43/96/492494396.db2.gz KMIBTLYDFZNKDT-HXUWFJFHSA-N 2 2 371.485 0.641 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1CCC[C@H]([C@H]3CCC[NH2+]C3)C1)CC2 ZINC000643540986 492494749 /nfs/dbraw/zinc/49/47/49/492494749.db2.gz MJGFUYWNXGOSOU-HOTGVXAUSA-N 2 2 359.474 0.772 10 0 FCAELP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655954644 492495801 /nfs/dbraw/zinc/49/58/01/492495801.db2.gz DNTBPNMXHIVDFJ-SOUVJXGZSA-N 2 2 362.474 0.958 10 0 FCAELP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655954644 492495803 /nfs/dbraw/zinc/49/58/03/492495803.db2.gz DNTBPNMXHIVDFJ-SOUVJXGZSA-N 2 2 362.474 0.958 10 0 FCAELP C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655954762 492496854 /nfs/dbraw/zinc/49/68/54/492496854.db2.gz NTAHXCWSMLUZSG-MCIONIFRSA-N 2 2 360.458 0.842 10 0 FCAELP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000655955036 492497090 /nfs/dbraw/zinc/49/70/90/492497090.db2.gz WBBNFOZBDYQZNC-SOUVJXGZSA-N 2 2 362.474 0.958 10 0 FCAELP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000655955036 492497096 /nfs/dbraw/zinc/49/70/96/492497096.db2.gz WBBNFOZBDYQZNC-SOUVJXGZSA-N 2 2 362.474 0.958 10 0 FCAELP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)CC[C@H]1c1ccc(F)cc1 ZINC000643593585 492502861 /nfs/dbraw/zinc/50/28/61/492502861.db2.gz PYVLOYVYBRWOMI-DLBZAZTESA-N 2 2 371.416 0.708 10 0 FCAELP C[C@H](CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656024853 492520342 /nfs/dbraw/zinc/52/03/42/492520342.db2.gz SPOMJQGPWTUUPU-KFWWJZLASA-N 2 2 354.495 0.106 10 0 FCAELP C[C@H](CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656024853 492520345 /nfs/dbraw/zinc/52/03/45/492520345.db2.gz SPOMJQGPWTUUPU-KFWWJZLASA-N 2 2 354.495 0.106 10 0 FCAELP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656039745 492522488 /nfs/dbraw/zinc/52/24/88/492522488.db2.gz FIIIKVKCFOIBQA-IFTGGNMHSA-N 2 2 366.506 0.186 10 0 FCAELP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656039745 492522491 /nfs/dbraw/zinc/52/24/91/492522491.db2.gz FIIIKVKCFOIBQA-IFTGGNMHSA-N 2 2 366.506 0.186 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656042827 492523635 /nfs/dbraw/zinc/52/36/35/492523635.db2.gz VSDOWLRNFZIOMR-JONQDZQNSA-N 2 2 354.495 0.188 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656042827 492523639 /nfs/dbraw/zinc/52/36/39/492523639.db2.gz VSDOWLRNFZIOMR-JONQDZQNSA-N 2 2 354.495 0.188 10 0 FCAELP CC(C)(CCC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623264242 492535013 /nfs/dbraw/zinc/53/50/13/492535013.db2.gz IYEVSYHPCGUQDD-KGLIPLIRSA-N 2 2 370.457 0.668 10 0 FCAELP CC1(OCC(=O)Nc2ccc3[nH]c(CC[NH+]4CCOCC4)nc3c2)C[NH2+]C1 ZINC000649352030 492545376 /nfs/dbraw/zinc/54/53/76/492545376.db2.gz JWSNSTCFIPHJSX-UHFFFAOYSA-N 2 2 373.457 0.755 10 0 FCAELP CC1(OCC(=O)Nc2ccc3nc(CC[NH+]4CCOCC4)[nH]c3c2)C[NH2+]C1 ZINC000649352030 492545380 /nfs/dbraw/zinc/54/53/80/492545380.db2.gz JWSNSTCFIPHJSX-UHFFFAOYSA-N 2 2 373.457 0.755 10 0 FCAELP C[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656086095 492546790 /nfs/dbraw/zinc/54/67/90/492546790.db2.gz QKODSKILMXRUEO-LVQVYYBASA-N 2 2 354.495 0.153 10 0 FCAELP C[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[NH+]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656086095 492546794 /nfs/dbraw/zinc/54/67/94/492546794.db2.gz QKODSKILMXRUEO-LVQVYYBASA-N 2 2 354.495 0.153 10 0 FCAELP C[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[NH+]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656086095 492546798 /nfs/dbraw/zinc/54/67/98/492546798.db2.gz QKODSKILMXRUEO-LVQVYYBASA-N 2 2 354.495 0.153 10 0 FCAELP C[NH+](C)CCOc1cccc(CNC(=O)NC[C@@H]2COCC[N@@H+]2C)c1 ZINC000623455502 492556148 /nfs/dbraw/zinc/55/61/48/492556148.db2.gz TYRIEZATZCMFOS-MRXNPFEDSA-N 2 2 350.463 0.757 10 0 FCAELP C[NH+](C)CCOc1cccc(CNC(=O)NC[C@@H]2COCC[N@H+]2C)c1 ZINC000623455502 492556152 /nfs/dbraw/zinc/55/61/52/492556152.db2.gz TYRIEZATZCMFOS-MRXNPFEDSA-N 2 2 350.463 0.757 10 0 FCAELP Cc1cc(NCCNC(=O)NC[C@H]2C[N@H+](C)CCN2C)nc(C(C)C)[nH+]1 ZINC000623600729 492572319 /nfs/dbraw/zinc/57/23/19/492572319.db2.gz ZPJZWTCVWIBGQM-HNNXBMFYSA-N 2 2 363.510 0.865 10 0 FCAELP Cc1cc(NCCNC(=O)NC[C@H]2C[N@@H+](C)CCN2C)nc(C(C)C)[nH+]1 ZINC000623600729 492572325 /nfs/dbraw/zinc/57/23/25/492572325.db2.gz ZPJZWTCVWIBGQM-HNNXBMFYSA-N 2 2 363.510 0.865 10 0 FCAELP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2COCC[NH+]2C)[C@H](C)C1 ZINC000623621037 492574929 /nfs/dbraw/zinc/57/49/29/492574929.db2.gz MDXCWVKRWYZVDW-ZACQAIPSSA-N 2 2 356.511 0.753 10 0 FCAELP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2COCC[NH+]2C)[C@H](C)C1 ZINC000623621037 492574936 /nfs/dbraw/zinc/57/49/36/492574936.db2.gz MDXCWVKRWYZVDW-ZACQAIPSSA-N 2 2 356.511 0.753 10 0 FCAELP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2COCC[N@@H+]2C)[C@H](C)C1 ZINC000623621037 492574940 /nfs/dbraw/zinc/57/49/40/492574940.db2.gz MDXCWVKRWYZVDW-ZACQAIPSSA-N 2 2 356.511 0.753 10 0 FCAELP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2COCC[N@H+]2C)[C@H](C)C1 ZINC000623621037 492574944 /nfs/dbraw/zinc/57/49/44/492574944.db2.gz MDXCWVKRWYZVDW-ZACQAIPSSA-N 2 2 356.511 0.753 10 0 FCAELP COC[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000649742267 492577466 /nfs/dbraw/zinc/57/74/66/492577466.db2.gz VZAUAQAQLANIGA-ZWKOTPCHSA-N 2 2 363.458 0.539 10 0 FCAELP COC[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000649742267 492577469 /nfs/dbraw/zinc/57/74/69/492577469.db2.gz VZAUAQAQLANIGA-ZWKOTPCHSA-N 2 2 363.458 0.539 10 0 FCAELP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656302975 492578230 /nfs/dbraw/zinc/57/82/30/492578230.db2.gz OBLMNYDSGSKOQZ-FPCVCCKLSA-N 2 2 356.511 0.447 10 0 FCAELP CC(C)(CNC(=O)C[NH+]1CCC(Cn2cnnc2)CC1)[NH+]1CCOCC1 ZINC000649787255 492583048 /nfs/dbraw/zinc/58/30/48/492583048.db2.gz IMPVYVBIODYXRU-UHFFFAOYSA-N 2 2 364.494 0.217 10 0 FCAELP C[C@@H](NC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000656322842 492592358 /nfs/dbraw/zinc/59/23/58/492592358.db2.gz WSHUVDUPSWXNMT-CAOSSQGBSA-N 2 2 370.538 0.693 10 0 FCAELP C[C@@H](NC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000656322842 492592361 /nfs/dbraw/zinc/59/23/61/492592361.db2.gz WSHUVDUPSWXNMT-CAOSSQGBSA-N 2 2 370.538 0.693 10 0 FCAELP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656344788 492605655 /nfs/dbraw/zinc/60/56/55/492605655.db2.gz ZKLLPTLCXXODMS-CAOSSQGBSA-N 2 2 354.495 0.201 10 0 FCAELP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656344788 492605658 /nfs/dbraw/zinc/60/56/58/492605658.db2.gz ZKLLPTLCXXODMS-CAOSSQGBSA-N 2 2 354.495 0.201 10 0 FCAELP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656344788 492605662 /nfs/dbraw/zinc/60/56/62/492605662.db2.gz ZKLLPTLCXXODMS-CAOSSQGBSA-N 2 2 354.495 0.201 10 0 FCAELP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656344788 492605664 /nfs/dbraw/zinc/60/56/64/492605664.db2.gz ZKLLPTLCXXODMS-CAOSSQGBSA-N 2 2 354.495 0.201 10 0 FCAELP CCc1[nH+]c2ccccc2n1CC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650302195 492628852 /nfs/dbraw/zinc/62/88/52/492628852.db2.gz ZNQRKLWGSNOZGO-UHFFFAOYSA-N 2 2 357.458 0.831 10 0 FCAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000624283571 492633778 /nfs/dbraw/zinc/63/37/78/492633778.db2.gz SKLAVMIRAQXVNK-RHSMWYFYSA-N 2 2 367.519 0.372 10 0 FCAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000624283571 492633780 /nfs/dbraw/zinc/63/37/80/492633780.db2.gz SKLAVMIRAQXVNK-RHSMWYFYSA-N 2 2 367.519 0.372 10 0 FCAELP CCN1C(=O)CO[C@@H](C(=O)NC[C@@H]2CC[N@H+](CC)C2)[C@@H]1c1[nH+]ccn1C ZINC000624485873 492652437 /nfs/dbraw/zinc/65/24/37/492652437.db2.gz ICVZTGQXPCGPHG-NUEKZKHPSA-N 2 2 363.462 0.167 10 0 FCAELP CCN1C(=O)CO[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CC)C2)[C@@H]1c1[nH+]ccn1C ZINC000624485873 492652443 /nfs/dbraw/zinc/65/24/43/492652443.db2.gz ICVZTGQXPCGPHG-NUEKZKHPSA-N 2 2 363.462 0.167 10 0 FCAELP C[NH+]1CCC(CNC(=O)NC2COCCOC2)([NH+]2CCCCC2)CC1 ZINC000644170768 492657409 /nfs/dbraw/zinc/65/74/09/492657409.db2.gz UGKNBKPFBMXJIX-UHFFFAOYSA-N 2 2 354.495 0.651 10 0 FCAELP C[NH+](C)CCN1CCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1=O ZINC000650673197 492660009 /nfs/dbraw/zinc/66/00/09/492660009.db2.gz QBRIQLAMKCORAS-UHFFFAOYSA-N 2 2 362.478 0.177 10 0 FCAELP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000629786482 492672044 /nfs/dbraw/zinc/67/20/44/492672044.db2.gz VIJJQIPAJBHPJF-UHFFFAOYSA-N 2 2 368.503 0.087 10 0 FCAELP C[NH+](C)Cc1cc(CNC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)ccc1F ZINC000650878200 492679301 /nfs/dbraw/zinc/67/93/01/492679301.db2.gz OBGKURNTUGNOIW-MRXNPFEDSA-N 2 2 350.438 0.848 10 0 FCAELP C[NH+](C)Cc1cc(CNC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)ccc1F ZINC000650878200 492679306 /nfs/dbraw/zinc/67/93/06/492679306.db2.gz OBGKURNTUGNOIW-MRXNPFEDSA-N 2 2 350.438 0.848 10 0 FCAELP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000624742580 492679477 /nfs/dbraw/zinc/67/94/77/492679477.db2.gz YDQUFEOYLZXFDX-KRWDZBQOSA-N 2 2 368.522 0.899 10 0 FCAELP C[N@H+]1CCOC[C@@H]1CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000624742580 492679479 /nfs/dbraw/zinc/67/94/79/492679479.db2.gz YDQUFEOYLZXFDX-KRWDZBQOSA-N 2 2 368.522 0.899 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cc(Cl)cnc1N ZINC000657071585 492709034 /nfs/dbraw/zinc/70/90/34/492709034.db2.gz RKXKYSYMLPFHQX-NSHDSACASA-N 2 2 363.915 0.868 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cc(Cl)cnc1N ZINC000657071585 492709036 /nfs/dbraw/zinc/70/90/36/492709036.db2.gz RKXKYSYMLPFHQX-NSHDSACASA-N 2 2 363.915 0.868 10 0 FCAELP CCN1C(=O)CO[C@H](C(=O)NC[C@H](C)[N@H+](C)C2CC2)[C@H]1c1[nH+]ccn1C ZINC000625197466 492737740 /nfs/dbraw/zinc/73/77/40/492737740.db2.gz JINLVXDFJMAGKG-RCBQFDQVSA-N 2 2 363.462 0.307 10 0 FCAELP CCN1C(=O)CO[C@H](C(=O)NC[C@H](C)[N@@H+](C)C2CC2)[C@H]1c1[nH+]ccn1C ZINC000625197466 492737743 /nfs/dbraw/zinc/73/77/43/492737743.db2.gz JINLVXDFJMAGKG-RCBQFDQVSA-N 2 2 363.462 0.307 10 0 FCAELP Cc1c[nH+]cn1CC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000625260697 492748089 /nfs/dbraw/zinc/74/80/89/492748089.db2.gz GQMOGVNPTCTTFK-UHFFFAOYSA-N 2 2 357.462 0.700 10 0 FCAELP Cc1cc(N2CCN(C(=O)N3CC[NH2+]CC3)CC2)nc(-c2ccncc2)[nH+]1 ZINC000630520001 492749861 /nfs/dbraw/zinc/74/98/61/492749861.db2.gz TWWZGELMQILYFJ-UHFFFAOYSA-N 2 2 367.457 0.994 10 0 FCAELP C[C@H]1CC[C@@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CS1(=O)=O ZINC000657639748 492769216 /nfs/dbraw/zinc/76/92/16/492769216.db2.gz VGGYVPKQVPQHDL-DZGCQCFKSA-N 2 2 353.492 0.284 10 0 FCAELP CC[C@H](C)[C@H](NC(=O)Cn1c[nH+]cc1C)C(=O)NCC[NH+]1CCOCC1 ZINC000625483776 492796909 /nfs/dbraw/zinc/79/69/09/492796909.db2.gz VQCMPMNDVIHWDH-YOEHRIQHSA-N 2 2 365.478 0.171 10 0 FCAELP CCc1ccncc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000651711041 492810706 /nfs/dbraw/zinc/81/07/06/492810706.db2.gz XMZBIIFHJXWUNM-OAHLLOKOSA-N 2 2 359.474 0.867 10 0 FCAELP CCc1ccncc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000651711041 492810707 /nfs/dbraw/zinc/81/07/07/492810707.db2.gz XMZBIIFHJXWUNM-OAHLLOKOSA-N 2 2 359.474 0.867 10 0 FCAELP COC[C@@H](CC1CCOCC1)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000657918444 492814220 /nfs/dbraw/zinc/81/42/20/492814220.db2.gz CPMDYMFITSLABC-QZTJIDSGSA-N 2 2 369.506 0.341 10 0 FCAELP C[N@@H+]1CCO[C@@H](CS(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000631655956 492830017 /nfs/dbraw/zinc/83/00/17/492830017.db2.gz BITHETODAWZGCJ-HUUCEWRRSA-N 2 2 357.476 0.667 10 0 FCAELP C[N@H+]1CCO[C@@H](CS(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000631655956 492830018 /nfs/dbraw/zinc/83/00/18/492830018.db2.gz BITHETODAWZGCJ-HUUCEWRRSA-N 2 2 357.476 0.667 10 0 FCAELP C[NH+](C)[C@H](CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)Cc1ccccc1 ZINC000631664397 492831177 /nfs/dbraw/zinc/83/11/77/492831177.db2.gz SJOMUSIVBVHNAI-DLBZAZTESA-N 2 2 355.504 0.409 10 0 FCAELP C[NH+](C)[C@H](CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)Cc1ccccc1 ZINC000631664397 492831180 /nfs/dbraw/zinc/83/11/80/492831180.db2.gz SJOMUSIVBVHNAI-DLBZAZTESA-N 2 2 355.504 0.409 10 0 FCAELP CCN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000631824247 492858884 /nfs/dbraw/zinc/85/88/84/492858884.db2.gz ZFFFGQOQFXANJR-LBPRGKRZSA-N 2 2 350.385 0.293 10 0 FCAELP CCN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000631824247 492858888 /nfs/dbraw/zinc/85/88/88/492858888.db2.gz ZFFFGQOQFXANJR-LBPRGKRZSA-N 2 2 350.385 0.293 10 0 FCAELP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000625685225 492858994 /nfs/dbraw/zinc/85/89/94/492858994.db2.gz WHWWOJQBCRIWOG-SJORKVTESA-N 2 2 364.490 0.053 10 0 FCAELP O=C(NC[C@H]1CC[N@H+]1C1CCCC1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000625685225 492858998 /nfs/dbraw/zinc/85/89/98/492858998.db2.gz WHWWOJQBCRIWOG-SJORKVTESA-N 2 2 364.490 0.053 10 0 FCAELP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000625685220 492859120 /nfs/dbraw/zinc/85/91/20/492859120.db2.gz WHWWOJQBCRIWOG-DLBZAZTESA-N 2 2 364.490 0.053 10 0 FCAELP O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000625685220 492859123 /nfs/dbraw/zinc/85/91/23/492859123.db2.gz WHWWOJQBCRIWOG-DLBZAZTESA-N 2 2 364.490 0.053 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc2c(c1)OCO2 ZINC000658333607 492860935 /nfs/dbraw/zinc/86/09/35/492860935.db2.gz PRSMNLNVUIMGTA-ZDUSSCGKSA-N 2 2 364.446 0.742 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc2c(c1)OCO2 ZINC000658333607 492860938 /nfs/dbraw/zinc/86/09/38/492860938.db2.gz PRSMNLNVUIMGTA-ZDUSSCGKSA-N 2 2 364.446 0.742 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc2n[nH]cc2c1 ZINC000658335681 492862285 /nfs/dbraw/zinc/86/22/85/492862285.db2.gz FEBAFTHHTAIEQE-ZDUSSCGKSA-N 2 2 360.462 0.890 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc2n[nH]cc2c1 ZINC000658335681 492862289 /nfs/dbraw/zinc/86/22/89/492862289.db2.gz FEBAFTHHTAIEQE-ZDUSSCGKSA-N 2 2 360.462 0.890 10 0 FCAELP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCN(CCc2cnccn2)CC1 ZINC000631873270 492867474 /nfs/dbraw/zinc/86/74/74/492867474.db2.gz NVRYMZDZBCGTLV-PMACEKPBSA-N 2 2 355.486 0.568 10 0 FCAELP CCN1C(=O)CO[C@H](C(=O)N(C)CCCC[NH+](C)C)[C@H]1c1[nH+]ccn1C ZINC000625728579 492871422 /nfs/dbraw/zinc/87/14/22/492871422.db2.gz AKNBCMAIVVYRGX-HOTGVXAUSA-N 2 2 365.478 0.509 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N2CCC(CC[NH3+])CC2)C1=O ZINC000652177536 492890373 /nfs/dbraw/zinc/89/03/73/492890373.db2.gz NKSJRDYGPAOFBO-HNNXBMFYSA-N 2 2 362.478 0.682 10 0 FCAELP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)Cn1c[nH+]cc1C ZINC000625814136 492891698 /nfs/dbraw/zinc/89/16/98/492891698.db2.gz RTCOUHHHUMERKT-HOTGVXAUSA-N 2 2 358.446 0.798 10 0 FCAELP C[N@@H+]1CCO[C@H](CS(=O)(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000631970990 492900685 /nfs/dbraw/zinc/90/06/85/492900685.db2.gz IRJKAWRWMSVBEQ-ROUUACIJSA-N 2 2 367.515 0.901 10 0 FCAELP C[N@H+]1CCO[C@H](CS(=O)(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000631970990 492900688 /nfs/dbraw/zinc/90/06/88/492900688.db2.gz IRJKAWRWMSVBEQ-ROUUACIJSA-N 2 2 367.515 0.901 10 0 FCAELP C[NH+]1CCO[C@H](CS(=O)(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000631970990 492900691 /nfs/dbraw/zinc/90/06/91/492900691.db2.gz IRJKAWRWMSVBEQ-ROUUACIJSA-N 2 2 367.515 0.901 10 0 FCAELP C[NH+]1CCO[C@H](CS(=O)(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000631970990 492900694 /nfs/dbraw/zinc/90/06/94/492900694.db2.gz IRJKAWRWMSVBEQ-ROUUACIJSA-N 2 2 367.515 0.901 10 0 FCAELP C[C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)N1CC[NH2+]CC1=O ZINC000638081220 492901044 /nfs/dbraw/zinc/90/10/44/492901044.db2.gz IZDTYJPBEQQZBE-INIZCTEOSA-N 2 2 358.486 0.835 10 0 FCAELP C[C@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1=O ZINC000638112935 492909500 /nfs/dbraw/zinc/90/95/00/492909500.db2.gz XJQSBFYAFJIKQR-AEFFLSMTSA-N 2 2 358.486 0.787 10 0 FCAELP C[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1=O ZINC000638112935 492909502 /nfs/dbraw/zinc/90/95/02/492909502.db2.gz XJQSBFYAFJIKQR-AEFFLSMTSA-N 2 2 358.486 0.787 10 0 FCAELP CCO[C@@H]1C[N@H+](CC(=O)NCCc2ccc(OC)c(OC)c2)C[C@H]1C[NH3+] ZINC000652358119 492915784 /nfs/dbraw/zinc/91/57/84/492915784.db2.gz DIOZUVHUQNXNCS-CRAIPNDOSA-N 2 2 365.474 0.658 10 0 FCAELP CCO[C@@H]1C[N@@H+](CC(=O)NCCc2ccc(OC)c(OC)c2)C[C@H]1C[NH3+] ZINC000652358119 492915789 /nfs/dbraw/zinc/91/57/89/492915789.db2.gz DIOZUVHUQNXNCS-CRAIPNDOSA-N 2 2 365.474 0.658 10 0 FCAELP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000652392000 492922108 /nfs/dbraw/zinc/92/21/08/492922108.db2.gz WFMWOAKNZORGIA-KRWDZBQOSA-N 2 2 368.522 0.404 10 0 FCAELP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000652392000 492922110 /nfs/dbraw/zinc/92/21/10/492922110.db2.gz WFMWOAKNZORGIA-KRWDZBQOSA-N 2 2 368.522 0.404 10 0 FCAELP C[C@H](C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1=O ZINC000638307254 492931914 /nfs/dbraw/zinc/93/19/14/492931914.db2.gz INBQGHQADTZGDN-LZLYRXPVSA-N 2 2 358.486 0.834 10 0 FCAELP C[C@H](C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1=O ZINC000638307254 492931918 /nfs/dbraw/zinc/93/19/18/492931918.db2.gz INBQGHQADTZGDN-LZLYRXPVSA-N 2 2 358.486 0.834 10 0 FCAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000645627979 492950889 /nfs/dbraw/zinc/95/08/89/492950889.db2.gz ZZTAYHKAWJWZSK-HOCLYGCPSA-N 2 2 373.457 0.328 10 0 FCAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000645627979 492950891 /nfs/dbraw/zinc/95/08/91/492950891.db2.gz ZZTAYHKAWJWZSK-HOCLYGCPSA-N 2 2 373.457 0.328 10 0 FCAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)C[C@@H]1C[NH+](C)CCO1 ZINC000632217095 492952763 /nfs/dbraw/zinc/95/27/63/492952763.db2.gz SMRMLUPECSSABP-BPQIPLTHSA-N 2 2 367.515 0.757 10 0 FCAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)C[C@@H]1C[NH+](C)CCO1 ZINC000632217095 492952765 /nfs/dbraw/zinc/95/27/65/492952765.db2.gz SMRMLUPECSSABP-BPQIPLTHSA-N 2 2 367.515 0.757 10 0 FCAELP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632217095 492952767 /nfs/dbraw/zinc/95/27/67/492952767.db2.gz SMRMLUPECSSABP-BPQIPLTHSA-N 2 2 367.515 0.757 10 0 FCAELP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632217095 492952769 /nfs/dbraw/zinc/95/27/69/492952769.db2.gz SMRMLUPECSSABP-BPQIPLTHSA-N 2 2 367.515 0.757 10 0 FCAELP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)CC1 ZINC000658576671 492963925 /nfs/dbraw/zinc/96/39/25/492963925.db2.gz JEIATYIPPXYOPR-HNNXBMFYSA-N 2 2 359.474 0.307 10 0 FCAELP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)C[C@H](C)O1 ZINC000658589134 492971067 /nfs/dbraw/zinc/97/10/67/492971067.db2.gz RBCAAQHBNDXPQD-OWCLPIDISA-N 2 2 368.522 0.543 10 0 FCAELP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)C[C@H](C)O1 ZINC000658589134 492971071 /nfs/dbraw/zinc/97/10/71/492971071.db2.gz RBCAAQHBNDXPQD-OWCLPIDISA-N 2 2 368.522 0.543 10 0 FCAELP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)C[C@H](C)O1 ZINC000658589134 492971076 /nfs/dbraw/zinc/97/10/76/492971076.db2.gz RBCAAQHBNDXPQD-OWCLPIDISA-N 2 2 368.522 0.543 10 0 FCAELP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)C[C@H](C)O1 ZINC000658589134 492971079 /nfs/dbraw/zinc/97/10/79/492971079.db2.gz RBCAAQHBNDXPQD-OWCLPIDISA-N 2 2 368.522 0.543 10 0 FCAELP CN(CCC[N@H+](C)Cc1ccco1)S(=O)(=O)C[C@H]1C[NH+](C)CCO1 ZINC000632335493 492977010 /nfs/dbraw/zinc/97/70/10/492977010.db2.gz KOMZUWSLQYOTTK-MRXNPFEDSA-N 2 2 359.492 0.694 10 0 FCAELP CN(CCC[N@@H+](C)Cc1ccco1)S(=O)(=O)C[C@H]1C[NH+](C)CCO1 ZINC000632335493 492977013 /nfs/dbraw/zinc/97/70/13/492977013.db2.gz KOMZUWSLQYOTTK-MRXNPFEDSA-N 2 2 359.492 0.694 10 0 FCAELP CN(CCC[NH+](C)Cc1ccco1)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632335493 492977017 /nfs/dbraw/zinc/97/70/17/492977017.db2.gz KOMZUWSLQYOTTK-MRXNPFEDSA-N 2 2 359.492 0.694 10 0 FCAELP CN(CCC[NH+](C)Cc1ccco1)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632335493 492977019 /nfs/dbraw/zinc/97/70/19/492977019.db2.gz KOMZUWSLQYOTTK-MRXNPFEDSA-N 2 2 359.492 0.694 10 0 FCAELP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC(C[NH+]3CCOCC3)C2)cc1 ZINC000632355452 492981337 /nfs/dbraw/zinc/98/13/37/492981337.db2.gz JSVRGSDHYYOWMA-UHFFFAOYSA-N 2 2 353.488 0.701 10 0 FCAELP CCO[C@@H]1CN(C(=O)C(=O)NCc2cn3ccc(C)cc3[nH+]2)C[C@H]1C[NH3+] ZINC000652667347 492982585 /nfs/dbraw/zinc/98/25/85/492982585.db2.gz NZHQZCTYKSKXML-UKRRQHHQSA-N 2 2 359.430 0.081 10 0 FCAELP O=C(NCc1[nH+]ccn1CC(F)(F)F)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000645912030 492987377 /nfs/dbraw/zinc/98/73/77/492987377.db2.gz ADHUFHYBTSSPDF-JTQLQIEISA-N 2 2 357.340 0.719 10 0 FCAELP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000658646637 492989973 /nfs/dbraw/zinc/98/99/73/492989973.db2.gz KUBCPVPVZSTELC-UHFFFAOYSA-N 2 2 361.490 0.922 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@]3([NH3+])[C@@H]4CCCO[C@H]4C3(C)C)C2)CC1 ZINC000645978174 492994913 /nfs/dbraw/zinc/99/49/13/492994913.db2.gz WCIRWUNJDPNZBT-CNVJLJKISA-N 3 2 364.534 0.804 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@]3([NH3+])[C@@H]4CCCO[C@H]4C3(C)C)C2)CC1 ZINC000645978174 492994917 /nfs/dbraw/zinc/99/49/17/492994917.db2.gz WCIRWUNJDPNZBT-CNVJLJKISA-N 3 2 364.534 0.804 10 0 FCAELP O=C(NCCC1CC[NH2+]CC1)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000652723061 493003223 /nfs/dbraw/zinc/00/32/23/493003223.db2.gz KDCCVFMCLWVTHQ-QGZVFWFLSA-N 2 2 366.506 0.206 10 0 FCAELP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000658687266 493008200 /nfs/dbraw/zinc/00/82/00/493008200.db2.gz FVSUSOFBKXAVDM-OAHLLOKOSA-N 2 2 368.522 0.545 10 0 FCAELP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000658687266 493008202 /nfs/dbraw/zinc/00/82/02/493008202.db2.gz FVSUSOFBKXAVDM-OAHLLOKOSA-N 2 2 368.522 0.545 10 0 FCAELP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658687266 493008204 /nfs/dbraw/zinc/00/82/04/493008204.db2.gz FVSUSOFBKXAVDM-OAHLLOKOSA-N 2 2 368.522 0.545 10 0 FCAELP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000658687266 493008205 /nfs/dbraw/zinc/00/82/05/493008205.db2.gz FVSUSOFBKXAVDM-OAHLLOKOSA-N 2 2 368.522 0.545 10 0 FCAELP CCN(C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000658806573 493063466 /nfs/dbraw/zinc/06/34/66/493063466.db2.gz GYFJDDJUQJZICO-INIZCTEOSA-N 2 2 364.515 0.945 10 0 FCAELP CCN(C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000658806573 493063468 /nfs/dbraw/zinc/06/34/68/493063468.db2.gz GYFJDDJUQJZICO-INIZCTEOSA-N 2 2 364.515 0.945 10 0 FCAELP CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653097909 493069566 /nfs/dbraw/zinc/06/95/66/493069566.db2.gz YMXBMDJZEBXCOY-QWHCGFSZSA-N 2 2 366.428 0.915 10 0 FCAELP CCOC1CC(CNC(=O)N[C@@H]2CC[NH2+][C@H]2CC)([NH+]2CCOCC2)C1 ZINC000627020444 493081562 /nfs/dbraw/zinc/08/15/62/493081562.db2.gz GQKOOGQKFLEWRL-BNQMIIOLSA-N 2 2 354.495 0.696 10 0 FCAELP [NH3+]CC1(CCNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000653222197 493084090 /nfs/dbraw/zinc/08/40/90/493084090.db2.gz XDKFUNXHSJRRHK-UHFFFAOYSA-N 2 2 359.474 0.756 10 0 FCAELP Cc1cc(N)cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000632996310 493100945 /nfs/dbraw/zinc/10/09/45/493100945.db2.gz ZCGYBLKQAVVZHM-HNNXBMFYSA-N 2 2 359.474 0.800 10 0 FCAELP Cc1cc(N)cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000632996310 493100948 /nfs/dbraw/zinc/10/09/48/493100948.db2.gz ZCGYBLKQAVVZHM-HNNXBMFYSA-N 2 2 359.474 0.800 10 0 FCAELP C[C@@H]1CC[C@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)C[NH2+]1 ZINC000627195113 493106252 /nfs/dbraw/zinc/10/62/52/493106252.db2.gz JSFKJFPCRUDHRZ-ZACQAIPSSA-N 2 2 365.522 0.855 10 0 FCAELP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627201146 493107282 /nfs/dbraw/zinc/10/72/82/493107282.db2.gz XTCLGYNNDUAJGI-BZUAXINKSA-N 2 2 351.495 0.465 10 0 FCAELP C[C@@]1(F)C[NH2+]CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)C1 ZINC000627224966 493109923 /nfs/dbraw/zinc/10/99/23/493109923.db2.gz RHZBZNOQYNLNCH-FUHWJXTLSA-N 2 2 365.453 0.625 10 0 FCAELP C[C@@]1(F)C[NH2+]CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)C1 ZINC000627224966 493109924 /nfs/dbraw/zinc/10/99/24/493109924.db2.gz RHZBZNOQYNLNCH-FUHWJXTLSA-N 2 2 365.453 0.625 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@H]1C[NH3+] ZINC000633076644 493116052 /nfs/dbraw/zinc/11/60/52/493116052.db2.gz LDHLHZJIVWRARW-ZIAGYGMSSA-N 2 2 350.488 0.446 10 0 FCAELP COc1cc[nH+]cc1NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000658999582 493122999 /nfs/dbraw/zinc/12/29/99/493122999.db2.gz MHPDDXVYLBMMJA-CYBMUJFWSA-N 2 2 350.419 0.598 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000633101134 493125378 /nfs/dbraw/zinc/12/53/78/493125378.db2.gz ACKFVBCDHUSXKE-SOLBZPMBSA-N 2 2 358.486 0.773 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000633101134 493125382 /nfs/dbraw/zinc/12/53/82/493125382.db2.gz ACKFVBCDHUSXKE-SOLBZPMBSA-N 2 2 358.486 0.773 10 0 FCAELP O=C(NCCNc1cccc[nH+]1)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659072464 493139576 /nfs/dbraw/zinc/13/95/76/493139576.db2.gz ZPOYEXAXUSIFSB-INIZCTEOSA-N 2 2 369.425 0.909 10 0 FCAELP O=C(NCCNc1cccc[nH+]1)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659072465 493140209 /nfs/dbraw/zinc/14/02/09/493140209.db2.gz ZPOYEXAXUSIFSB-MRXNPFEDSA-N 2 2 369.425 0.909 10 0 FCAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000627297559 493140434 /nfs/dbraw/zinc/14/04/34/493140434.db2.gz MPLHAOLNOMBEDA-ZWMNYZCKSA-N 2 2 366.412 0.693 10 0 FCAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000627297559 493140435 /nfs/dbraw/zinc/14/04/35/493140435.db2.gz MPLHAOLNOMBEDA-ZWMNYZCKSA-N 2 2 366.412 0.693 10 0 FCAELP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C[NH2+]1 ZINC000627302967 493142164 /nfs/dbraw/zinc/14/21/64/493142164.db2.gz CATGGKPJJOJGEQ-TZMCWYRMSA-N 2 2 350.488 0.479 10 0 FCAELP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C[NH2+]1 ZINC000627302967 493142167 /nfs/dbraw/zinc/14/21/67/493142167.db2.gz CATGGKPJJOJGEQ-TZMCWYRMSA-N 2 2 350.488 0.479 10 0 FCAELP O=C(CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000653825130 493184636 /nfs/dbraw/zinc/18/46/36/493184636.db2.gz SRKBWDHBXATTBW-JKSUJKDBSA-N 2 2 364.515 0.143 10 0 FCAELP O=C(CN1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000653825130 493184639 /nfs/dbraw/zinc/18/46/39/493184639.db2.gz SRKBWDHBXATTBW-JKSUJKDBSA-N 2 2 364.515 0.143 10 0 FCAELP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000659478254 493190113 /nfs/dbraw/zinc/19/01/13/493190113.db2.gz BTOGFQWEAWCXJG-ZIAGYGMSSA-N 2 2 350.467 0.584 10 0 FCAELP C[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc2n(n1)CCCC2 ZINC000647293527 493190524 /nfs/dbraw/zinc/19/05/24/493190524.db2.gz MRUIUCOGMPCFEQ-JKSUJKDBSA-N 2 2 361.490 0.803 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H](OC(F)F)C3)C2)CC1 ZINC000672637431 493220037 /nfs/dbraw/zinc/22/00/37/493220037.db2.gz GZXYSCUMTCXMLW-JSGCOSHPSA-N 2 2 374.432 0.111 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H](OC(F)F)C3)C2)CC1 ZINC000672637431 493220038 /nfs/dbraw/zinc/22/00/38/493220038.db2.gz GZXYSCUMTCXMLW-JSGCOSHPSA-N 2 2 374.432 0.111 10 0 FCAELP CO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC[C@@H]1C ZINC000672638548 493221922 /nfs/dbraw/zinc/22/19/22/493221922.db2.gz UBSBBVXFGVPCDM-ZMSDIMECSA-N 2 2 366.506 0.155 10 0 FCAELP CO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC[C@@H]1C ZINC000672638548 493221923 /nfs/dbraw/zinc/22/19/23/493221923.db2.gz UBSBBVXFGVPCDM-ZMSDIMECSA-N 2 2 366.506 0.155 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666978845 493245559 /nfs/dbraw/zinc/24/55/59/493245559.db2.gz GYXRTXFDSPIHNY-QGZVFWFLSA-N 3 2 355.527 0.422 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666978845 493245563 /nfs/dbraw/zinc/24/55/63/493245563.db2.gz GYXRTXFDSPIHNY-QGZVFWFLSA-N 3 2 355.527 0.422 10 0 FCAELP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)N1CC2CC1(C[NH3+])C2)c1cccc(F)c1 ZINC000659683634 493250864 /nfs/dbraw/zinc/25/08/64/493250864.db2.gz YRPSAHMNUHQZHC-IHBYNMNLSA-N 2 2 371.416 0.715 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC(F)(F)C[C@H]3CO)CC2)CC1 ZINC000681960968 493257137 /nfs/dbraw/zinc/25/71/37/493257137.db2.gz ZUSAXATXZBNUHV-HNNXBMFYSA-N 2 2 360.449 0.957 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659698495 493259631 /nfs/dbraw/zinc/25/96/31/493259631.db2.gz OLFNOLDCBPGSCF-NVXWUHKLSA-N 2 2 366.506 0.062 10 0 FCAELP CC1(C)CN(C(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC[N@@H+]1CCO ZINC000659793554 493290909 /nfs/dbraw/zinc/29/09/09/493290909.db2.gz VGPBEWKPZRTGRQ-UHFFFAOYSA-N 2 2 363.462 0.031 10 0 FCAELP CC1(C)CN(C(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC[N@H+]1CCO ZINC000659793554 493290910 /nfs/dbraw/zinc/29/09/10/493290910.db2.gz VGPBEWKPZRTGRQ-UHFFFAOYSA-N 2 2 363.462 0.031 10 0 FCAELP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000673130376 493294109 /nfs/dbraw/zinc/29/41/09/493294109.db2.gz LGOPDGOGEOMXGZ-UHFFFAOYSA-N 2 2 370.457 0.899 10 0 FCAELP CC(C)[NH+]1CCC([NH+]2CCN(Cc3coc(S(N)(=O)=O)c3)CC2)CC1 ZINC000660107935 493325873 /nfs/dbraw/zinc/32/58/73/493325873.db2.gz UEKTZBBKJBVJTR-UHFFFAOYSA-N 2 2 370.519 0.917 10 0 FCAELP Cn1ncc(Br)c1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000683770409 493370280 /nfs/dbraw/zinc/37/02/80/493370280.db2.gz ZJQWZRDRAKOWQO-ZDUSSCGKSA-N 2 2 372.311 0.679 10 0 FCAELP CN(C(=O)c1ccnc2c1CC(=O)N2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668616918 493384921 /nfs/dbraw/zinc/38/49/21/493384921.db2.gz HKPQPBNGUDZBMY-AWEZNQCLSA-N 2 2 357.458 0.817 10 0 FCAELP CN(C(=O)c1ccnc2c1CC(=O)N2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668616918 493384923 /nfs/dbraw/zinc/38/49/23/493384923.db2.gz HKPQPBNGUDZBMY-AWEZNQCLSA-N 2 2 357.458 0.817 10 0 FCAELP C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1[nH+]ccn1C ZINC000660852869 493386868 /nfs/dbraw/zinc/38/68/68/493386868.db2.gz KAKRPCUXNJQOBC-KBPBESRZSA-N 2 2 350.467 0.723 10 0 FCAELP C[C@H](NC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1[nH+]ccn1C ZINC000660852869 493386869 /nfs/dbraw/zinc/38/68/69/493386869.db2.gz KAKRPCUXNJQOBC-KBPBESRZSA-N 2 2 350.467 0.723 10 0 FCAELP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](Cc3cn(-c4cc[nH+]cc4)nc3C)C[C@H]21 ZINC000668632116 493387523 /nfs/dbraw/zinc/38/75/23/493387523.db2.gz BQJJRLSEZATQMW-BBWFWOEESA-N 2 2 362.455 0.820 10 0 FCAELP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](Cc3cn(-c4cc[nH+]cc4)nc3C)C[C@H]21 ZINC000668632116 493387526 /nfs/dbraw/zinc/38/75/26/493387526.db2.gz BQJJRLSEZATQMW-BBWFWOEESA-N 2 2 362.455 0.820 10 0 FCAELP C[NH+](C)C[C@]1(O)CCCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000684174840 493399073 /nfs/dbraw/zinc/39/90/73/493399073.db2.gz MQHSPRZQWPPGKE-LJQANCHMSA-N 2 2 361.490 0.119 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N[C@@H]3COC(C)(C)C3)CC2)CC1 ZINC000668720709 493401133 /nfs/dbraw/zinc/40/11/33/493401133.db2.gz BCNPZVHPEDNGRZ-HNNXBMFYSA-N 2 2 366.506 0.345 10 0 FCAELP CN(C)c1[nH+]cc(CNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)n1C ZINC000668867216 493424658 /nfs/dbraw/zinc/42/46/58/493424658.db2.gz NBMQGWQUPMVTTN-GFCCVEGCSA-N 2 2 350.467 0.091 10 0 FCAELP CN(C)c1[nH+]cc(CNC(=O)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)n1C ZINC000668867216 493424660 /nfs/dbraw/zinc/42/46/60/493424660.db2.gz NBMQGWQUPMVTTN-GFCCVEGCSA-N 2 2 350.467 0.091 10 0 FCAELP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000685076356 493447375 /nfs/dbraw/zinc/44/73/75/493447375.db2.gz IZXPYVNLEKHFBS-QGZVFWFLSA-N 2 2 369.469 0.952 10 0 FCAELP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000685076356 493447377 /nfs/dbraw/zinc/44/73/77/493447377.db2.gz IZXPYVNLEKHFBS-QGZVFWFLSA-N 2 2 369.469 0.952 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC(OCCCO)CC3)C2)CC1 ZINC000674981478 493462926 /nfs/dbraw/zinc/46/29/26/493462926.db2.gz XLROTKJNBYRJFQ-INIZCTEOSA-N 2 2 368.522 0.728 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC(OCCCO)CC3)C2)CC1 ZINC000674981478 493462928 /nfs/dbraw/zinc/46/29/28/493462928.db2.gz XLROTKJNBYRJFQ-INIZCTEOSA-N 2 2 368.522 0.728 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CCCCC[C@H]3C(N)=O)C2)CC1 ZINC000675102427 493467714 /nfs/dbraw/zinc/46/77/14/493467714.db2.gz ZHBVFQFPXSTAHZ-UAGQMJEPSA-N 2 2 365.522 0.888 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CCCCC[C@H]3C(N)=O)C2)CC1 ZINC000675102427 493467718 /nfs/dbraw/zinc/46/77/18/493467718.db2.gz ZHBVFQFPXSTAHZ-UAGQMJEPSA-N 2 2 365.522 0.888 10 0 FCAELP O=C(NCCC[NH+]1CCOCC1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000675608100 493494521 /nfs/dbraw/zinc/49/45/21/493494521.db2.gz RSFNKRNZBQUCQP-UHFFFAOYSA-N 2 2 358.402 0.044 10 0 FCAELP Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000662255273 493500483 /nfs/dbraw/zinc/50/04/83/493500483.db2.gz BTHQNKWFYWDLPO-DLBZAZTESA-N 2 2 367.515 0.974 10 0 FCAELP Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000662255273 493500486 /nfs/dbraw/zinc/50/04/86/493500486.db2.gz BTHQNKWFYWDLPO-DLBZAZTESA-N 2 2 367.515 0.974 10 0 FCAELP COc1cc(OC)cc(-n2nnnc2C[N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662258891 493500844 /nfs/dbraw/zinc/50/08/44/493500844.db2.gz NRNPBCAYMPCBGV-CQSZACIVSA-N 2 2 374.445 0.632 10 0 FCAELP COc1cc(OC)cc(-n2nnnc2C[N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662258891 493500847 /nfs/dbraw/zinc/50/08/47/493500847.db2.gz NRNPBCAYMPCBGV-CQSZACIVSA-N 2 2 374.445 0.632 10 0 FCAELP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@H]3[C@@H](C2)[C@H](OC)CS3(=O)=O)cc1 ZINC000662312576 493505355 /nfs/dbraw/zinc/50/53/55/493505355.db2.gz IJEOLJLBCWLLBG-XBVQOTNRSA-N 2 2 354.472 0.481 10 0 FCAELP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@H]3[C@@H](C2)[C@H](OC)CS3(=O)=O)cc1 ZINC000662312576 493505357 /nfs/dbraw/zinc/50/53/57/493505357.db2.gz IJEOLJLBCWLLBG-XBVQOTNRSA-N 2 2 354.472 0.481 10 0 FCAELP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319810 493506025 /nfs/dbraw/zinc/50/60/25/493506025.db2.gz MTLGLKZRITVXRH-GOEBONIOSA-N 2 2 354.495 0.155 10 0 FCAELP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319810 493506027 /nfs/dbraw/zinc/50/60/27/493506027.db2.gz MTLGLKZRITVXRH-GOEBONIOSA-N 2 2 354.495 0.155 10 0 FCAELP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCO1 ZINC000669502155 493508186 /nfs/dbraw/zinc/50/81/86/493508186.db2.gz IIJFIRAWCTUWJK-IRXDYDNUSA-N 3 2 367.538 0.694 10 0 FCAELP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cn1 ZINC000676098978 493525176 /nfs/dbraw/zinc/52/51/76/493525176.db2.gz YPTZIFZJJYUQJH-UHFFFAOYSA-N 2 2 359.434 0.513 10 0 FCAELP O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662704475 493533033 /nfs/dbraw/zinc/53/30/33/493533033.db2.gz IPTAUIRHLMHGME-INIZCTEOSA-N 2 2 362.478 0.387 10 0 FCAELP CCN1CC[C@H](NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1=O ZINC000670046547 493543201 /nfs/dbraw/zinc/54/32/01/493543201.db2.gz OKSULIAVDHYZPE-WFVVYAPDSA-N 2 2 363.506 0.560 10 0 FCAELP CCN1CC[C@H](NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1=O ZINC000670046547 493543203 /nfs/dbraw/zinc/54/32/03/493543203.db2.gz OKSULIAVDHYZPE-WFVVYAPDSA-N 2 2 363.506 0.560 10 0 FCAELP O=C1C[C@@H]([NH2+][C@@H]2CCN(c3ccccc3)C2)CN1CC[NH+]1CCOCC1 ZINC000676418313 493550855 /nfs/dbraw/zinc/55/08/55/493550855.db2.gz LYXCZHTUGSCDMP-QZTJIDSGSA-N 2 2 358.486 0.788 10 0 FCAELP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)N(C)CCC[NH3+])CC2)s1 ZINC000662930489 493555280 /nfs/dbraw/zinc/55/52/80/493555280.db2.gz RAGLPIISNSFSBY-UHFFFAOYSA-N 2 2 352.504 0.762 10 0 FCAELP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 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/nfs/dbraw/zinc/56/21/40/493562140.db2.gz AXWSXGDMVWHPPY-UXHICEINSA-N 2 2 372.513 0.784 10 0 FCAELP O=C(C[C@H]1C[NH+](Cc2ccccc2)CCO1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000670408967 493562142 /nfs/dbraw/zinc/56/21/42/493562142.db2.gz AXWSXGDMVWHPPY-UXHICEINSA-N 2 2 372.513 0.784 10 0 FCAELP O=C(C[C@H]1C[NH+](Cc2ccccc2)CCO1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000670408967 493562144 /nfs/dbraw/zinc/56/21/44/493562144.db2.gz AXWSXGDMVWHPPY-UXHICEINSA-N 2 2 372.513 0.784 10 0 FCAELP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000670409324 493563198 /nfs/dbraw/zinc/56/31/98/493563198.db2.gz KCXPXNJLTRBFLU-TVFCKZIOSA-N 2 2 352.523 0.626 10 0 FCAELP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000670409324 493563199 /nfs/dbraw/zinc/56/31/99/493563199.db2.gz KCXPXNJLTRBFLU-TVFCKZIOSA-N 2 2 352.523 0.626 10 0 FCAELP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000676705823 493567827 /nfs/dbraw/zinc/56/78/27/493567827.db2.gz 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ZINC000425498842 535109660 /nfs/dbraw/zinc/10/96/60/535109660.db2.gz HLENOJFZDWDNNH-SJORKVTESA-N 2 2 364.494 0.388 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC[C@@H](n3ccnn3)C2)C1 ZINC000425498842 535109665 /nfs/dbraw/zinc/10/96/65/535109665.db2.gz HLENOJFZDWDNNH-SJORKVTESA-N 2 2 364.494 0.388 10 0 FCAELP CCCN(C(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1)C1CC[NH2+]CC1 ZINC000423692442 535187862 /nfs/dbraw/zinc/18/78/62/535187862.db2.gz CDPMESIESQTBNH-UHFFFAOYSA-N 2 2 374.489 0.424 10 0 FCAELP C[NH+](C)Cc1ccc(NC(=O)C(=O)N2CC[NH2+]CC2)cc1Br ZINC000415282707 536013313 /nfs/dbraw/zinc/01/33/13/536013313.db2.gz LLHFUVHYUVMQJI-UHFFFAOYSA-N 2 2 369.263 0.881 10 0 FCAELP COC(=O)c1ccc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)c(C)c1 ZINC000594822724 546836367 /nfs/dbraw/zinc/83/63/67/546836367.db2.gz ZUCJKTDIRUZGHW-UHFFFAOYSA-N 2 2 371.503 0.943 10 0 FCAELP COC(=O)c1ccc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(C)c1 ZINC000594822724 546836371 /nfs/dbraw/zinc/83/63/71/546836371.db2.gz ZUCJKTDIRUZGHW-UHFFFAOYSA-N 2 2 371.503 0.943 10 0 FCAELP NS(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647899347 546863201 /nfs/dbraw/zinc/86/32/01/546863201.db2.gz HCPBVHXVEACOOR-CZUORRHYSA-N 2 2 366.487 0.737 10 0 FCAELP NS(=O)(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647899347 546863206 /nfs/dbraw/zinc/86/32/06/546863206.db2.gz HCPBVHXVEACOOR-CZUORRHYSA-N 2 2 366.487 0.737 10 0 FCAELP COCCCNC(=O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000550269778 547081498 /nfs/dbraw/zinc/08/14/98/547081498.db2.gz FLFWGIZPZIUWEB-UHFFFAOYSA-N 2 2 354.495 0.206 10 0 FCAELP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC000550692664 547098459 /nfs/dbraw/zinc/09/84/59/547098459.db2.gz ZGUZUFQIIQRIDC-OAGGEKHMSA-N 2 2 354.495 0.012 10 0 FCAELP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC000550692664 547098461 /nfs/dbraw/zinc/09/84/61/547098461.db2.gz ZGUZUFQIIQRIDC-OAGGEKHMSA-N 2 2 354.495 0.012 10 0 FCAELP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000551164098 547130965 /nfs/dbraw/zinc/13/09/65/547130965.db2.gz IFOYEJZQILUMQZ-MRXNPFEDSA-N 2 2 350.507 0.921 10 0 FCAELP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000551164098 547130972 /nfs/dbraw/zinc/13/09/72/547130972.db2.gz IFOYEJZQILUMQZ-MRXNPFEDSA-N 2 2 350.507 0.921 10 0 FCAELP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000553136905 547256073 /nfs/dbraw/zinc/25/60/73/547256073.db2.gz VAPOBUPFZCRXSR-QQFBHYJXSA-N 2 2 354.495 0.060 10 0 FCAELP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000553136905 547256078 /nfs/dbraw/zinc/25/60/78/547256078.db2.gz VAPOBUPFZCRXSR-QQFBHYJXSA-N 2 2 354.495 0.060 10 0 FCAELP CO[C@H]1C[C@@H](C[NH+](C)C)N(c2cc(N3CC(n4cc[nH+]c4)C3)[nH+]cn2)C1 ZINC000685942921 571103317 /nfs/dbraw/zinc/10/33/17/571103317.db2.gz UCPLMNIBUNAWRQ-HOCLYGCPSA-N 3 2 357.462 0.890 10 0 FCAELP CO[C@H]1C[C@@H](C[NH+](C)C)N(c2cc(N3CC(n4cc[nH+]c4)C3)ncn2)C1 ZINC000685942921 571103318 /nfs/dbraw/zinc/10/33/18/571103318.db2.gz UCPLMNIBUNAWRQ-HOCLYGCPSA-N 2 2 357.462 0.890 10 0 FCAELP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000931661747 664469018 /nfs/dbraw/zinc/46/90/18/664469018.db2.gz SSVYOXKTAYOWEL-ZDUSSCGKSA-N 2 2 353.492 0.421 10 0 FCAELP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000931661747 664469019 /nfs/dbraw/zinc/46/90/19/664469019.db2.gz SSVYOXKTAYOWEL-ZDUSSCGKSA-N 2 2 353.492 0.421 10 0 FCAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(CS(=O)(=O)N(C)C)cc1 ZINC000925805333 664823567 /nfs/dbraw/zinc/82/35/67/664823567.db2.gz SMMPDYXKCACVRO-PBHICJAKSA-N 2 2 355.504 0.935 10 0 FCAELP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895847790 665061443 /nfs/dbraw/zinc/06/14/43/665061443.db2.gz HWLIOUJPDKSQBP-DOTOQJQBSA-N 2 2 355.504 0.031 10 0 FCAELP C[C@H](NC(=O)C1C[NH+]([C@H]2CCOC2)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000896685947 665103156 /nfs/dbraw/zinc/10/31/56/665103156.db2.gz MIPNFPZBLJLRON-RDJZCZTQSA-N 2 2 351.491 0.857 10 0 FCAELP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000925169347 665177311 /nfs/dbraw/zinc/17/73/11/665177311.db2.gz CEFAQYFGCYMUGF-KLHDSHLOSA-N 2 2 356.536 0.663 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000925169347 665177313 /nfs/dbraw/zinc/17/73/13/665177313.db2.gz CEFAQYFGCYMUGF-KLHDSHLOSA-N 2 2 356.536 0.663 10 0 FCAELP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925169347 665177315 /nfs/dbraw/zinc/17/73/15/665177315.db2.gz CEFAQYFGCYMUGF-KLHDSHLOSA-N 2 2 356.536 0.663 10 0 FCAELP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000925169347 665177317 /nfs/dbraw/zinc/17/73/17/665177317.db2.gz CEFAQYFGCYMUGF-KLHDSHLOSA-N 2 2 356.536 0.663 10 0 FCAELP S=C(NCCC[NH+]1CCOCC1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000905632118 666032204 /nfs/dbraw/zinc/03/22/04/666032204.db2.gz OEDBZWJOXMINKC-LSDHHAIUSA-N 2 2 358.577 0.753 10 0 FCAELP S=C(NCCC[NH+]1CCOCC1)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000905632118 666032206 /nfs/dbraw/zinc/03/22/06/666032206.db2.gz OEDBZWJOXMINKC-LSDHHAIUSA-N 2 2 358.577 0.753 10 0 FCAELP COC(=O)c1nc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000906662144 666061431 /nfs/dbraw/zinc/06/14/31/666061431.db2.gz UPFBIVMZQNZUTH-NSHDSACASA-N 2 2 352.460 0.828 10 0 FCAELP COC(=O)c1nc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000906662144 666061434 /nfs/dbraw/zinc/06/14/34/666061434.db2.gz UPFBIVMZQNZUTH-NSHDSACASA-N 2 2 352.460 0.828 10 0 FCAELP C/C(=C/C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)C[NH+]1CCOCC1 ZINC000908036995 666180094 /nfs/dbraw/zinc/18/00/94/666180094.db2.gz SWOXRZHHQOQIEM-MTMYEVCSSA-N 2 2 351.491 0.836 10 0 FCAELP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2CCCC[NH+]2CCO)C1 ZINC000908541806 666211779 /nfs/dbraw/zinc/21/17/79/666211779.db2.gz QZDUXWWVHDFCTL-HZPDHXFCSA-N 2 2 355.479 0.225 10 0 FCAELP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@H]2CCCC[NH+]2CCO)C1 ZINC000908541806 666211780 /nfs/dbraw/zinc/21/17/80/666211780.db2.gz QZDUXWWVHDFCTL-HZPDHXFCSA-N 2 2 355.479 0.225 10 0 FCAELP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000908541806 666211782 /nfs/dbraw/zinc/21/17/82/666211782.db2.gz QZDUXWWVHDFCTL-HZPDHXFCSA-N 2 2 355.479 0.225 10 0 FCAELP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@H]2CCCC[N@H+]2CCO)C1 ZINC000908541806 666211784 /nfs/dbraw/zinc/21/17/84/666211784.db2.gz QZDUXWWVHDFCTL-HZPDHXFCSA-N 2 2 355.479 0.225 10 0 FCAELP COCC[NH+](CCOC)C1CN(C(=O)c2ccc(C[NH+](C)C)nc2)C1 ZINC000911860391 666377483 /nfs/dbraw/zinc/37/74/83/666377483.db2.gz VPEIKRFDGOVWJK-UHFFFAOYSA-N 2 2 350.463 0.562 10 0 FCAELP O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000913186219 666512730 /nfs/dbraw/zinc/51/27/30/666512730.db2.gz BHAXLHZEAWNKKT-SJLPKXTDSA-N 2 2 351.422 0.257 10 0 FCAELP O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000913186219 666512733 /nfs/dbraw/zinc/51/27/33/666512733.db2.gz BHAXLHZEAWNKKT-SJLPKXTDSA-N 2 2 351.422 0.257 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(N3C(=O)N[C@]4(CCSC4)C3=O)CC2)CC1 ZINC000349343178 666547768 /nfs/dbraw/zinc/54/77/68/666547768.db2.gz QECDEUAKOCXEDP-KRWDZBQOSA-N 2 2 352.504 0.973 10 0 FCAELP O=C1NC2(CCOCC2)C(=O)N1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000151826147 666647067 /nfs/dbraw/zinc/64/70/67/666647067.db2.gz ZFRXACURGGZJJB-UHFFFAOYSA-N 2 2 350.463 0.853 10 0 FCAELP C[NH+]1CCN(C(C)(C)CNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000913997173 666679988 /nfs/dbraw/zinc/67/99/88/666679988.db2.gz IZBPWORDDDOMJU-HOTGVXAUSA-N 2 2 369.579 0.891 10 0 FCAELP C[NH+]1CCN(C(C)(C)CNC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000913997173 666679989 /nfs/dbraw/zinc/67/99/89/666679989.db2.gz IZBPWORDDDOMJU-HOTGVXAUSA-N 2 2 369.579 0.891 10 0 FCAELP CN1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000913997173 666679990 /nfs/dbraw/zinc/67/99/90/666679990.db2.gz IZBPWORDDDOMJU-HOTGVXAUSA-N 2 2 369.579 0.891 10 0 FCAELP CN1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000913997173 666679991 /nfs/dbraw/zinc/67/99/91/666679991.db2.gz IZBPWORDDDOMJU-HOTGVXAUSA-N 2 2 369.579 0.891 10 0 FCAELP C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000914064970 666689220 /nfs/dbraw/zinc/68/92/20/666689220.db2.gz WXDCEKMWMQVVPA-CABCVRRESA-N 2 2 369.535 0.030 10 0 FCAELP C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000914064970 666689222 /nfs/dbraw/zinc/68/92/22/666689222.db2.gz WXDCEKMWMQVVPA-CABCVRRESA-N 2 2 369.535 0.030 10 0 FCAELP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000917223365 667064585 /nfs/dbraw/zinc/06/45/85/667064585.db2.gz HTUHBFLEXXJOLY-PMPSAXMXSA-N 2 2 355.552 0.501 10 0 FCAELP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000917223365 667064588 /nfs/dbraw/zinc/06/45/88/667064588.db2.gz HTUHBFLEXXJOLY-PMPSAXMXSA-N 2 2 355.552 0.501 10 0 FCAELP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000917223365 667064592 /nfs/dbraw/zinc/06/45/92/667064592.db2.gz HTUHBFLEXXJOLY-PMPSAXMXSA-N 2 2 355.552 0.501 10 0 FCAELP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000917223365 667064597 /nfs/dbraw/zinc/06/45/97/667064597.db2.gz HTUHBFLEXXJOLY-PMPSAXMXSA-N 2 2 355.552 0.501 10 0 FCAELP COC[C@H](C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(C)C ZINC000929261031 667579740 /nfs/dbraw/zinc/57/97/40/667579740.db2.gz YAHRFYYJEOIYPT-INIZCTEOSA-N 2 2 362.540 0.015 10 0 FCAELP C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@H+](C)[C@@H](C)C3)C2)CC[NH+]1C ZINC000839693737 667719635 /nfs/dbraw/zinc/71/96/35/667719635.db2.gz QOEMXBRTAVVLQU-ZYGGUILKSA-N 2 2 350.507 0.728 10 0 FCAELP C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@@H+](C)[C@@H](C)C3)C2)CC[NH+]1C ZINC000839693737 667719638 /nfs/dbraw/zinc/71/96/38/667719638.db2.gz QOEMXBRTAVVLQU-ZYGGUILKSA-N 2 2 350.507 0.728 10 0 FCAELP C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[NH+](C)[C@@H](C)C3)C2)CC[N@@H+]1C ZINC000839693737 667719641 /nfs/dbraw/zinc/71/96/41/667719641.db2.gz QOEMXBRTAVVLQU-ZYGGUILKSA-N 2 2 350.507 0.728 10 0 FCAELP C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[NH+](C)[C@@H](C)C3)C2)CC[N@H+]1C ZINC000839693737 667719643 /nfs/dbraw/zinc/71/96/43/667719643.db2.gz QOEMXBRTAVVLQU-ZYGGUILKSA-N 2 2 350.507 0.728 10 0 FCAELP CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+][C@H]2CC[NH2+]C23CCC3)CCC1 ZINC000923397120 667831055 /nfs/dbraw/zinc/83/10/55/667831055.db2.gz AFFUAJNNBAWKLA-KBPBESRZSA-N 2 2 359.536 0.862 10 0 FCAELP C[C@@H]1C[N@H+](CC(=O)NCc2ccc(S(C)(=O)=O)cc2)CC[C@@H]1C[NH3+] ZINC000923494440 667841282 /nfs/dbraw/zinc/84/12/82/667841282.db2.gz MXHRYXMJVSZIEQ-UKRRQHHQSA-N 2 2 353.488 0.623 10 0 FCAELP C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(S(C)(=O)=O)cc2)CC[C@@H]1C[NH3+] ZINC000923494440 667841287 /nfs/dbraw/zinc/84/12/87/667841287.db2.gz MXHRYXMJVSZIEQ-UKRRQHHQSA-N 2 2 353.488 0.623 10 0 FCAELP O[C@H](C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(F)ccc1F ZINC000819077431 668976853 /nfs/dbraw/zinc/97/68/53/668976853.db2.gz 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CCN(OC)C(=O)CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000828170681 669622143 /nfs/dbraw/zinc/62/21/43/669622143.db2.gz RWAORCFDKMBTGV-OAHLLOKOSA-N 2 2 355.483 0.206 10 0 FCAELP CCN(OC)C(=O)CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000828170681 669622146 /nfs/dbraw/zinc/62/21/46/669622146.db2.gz RWAORCFDKMBTGV-OAHLLOKOSA-N 2 2 355.483 0.206 10 0 FCAELP CON(C)C(=O)CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000817796390 670033413 /nfs/dbraw/zinc/03/34/13/670033413.db2.gz JGBKGDLHZOVXFX-UHFFFAOYSA-N 2 2 355.483 0.256 10 0 FCAELP CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000843363350 670807044 /nfs/dbraw/zinc/80/70/44/670807044.db2.gz YGAUNNAWAAFODP-HOTGVXAUSA-N 2 2 352.479 0.751 10 0 FCAELP CCOC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000843363350 670807056 /nfs/dbraw/zinc/80/70/56/670807056.db2.gz YGAUNNAWAAFODP-HOTGVXAUSA-N 2 2 352.479 0.751 10 0 FCAELP C[NH+](C)CCN1CC[N@H+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1=O ZINC000844377349 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CC[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000898137108 1192862718 /nfs/dbraw/zinc/86/27/18/1192862718.db2.gz LPNYTTDHMAQCGE-IRXDYDNUSA-N 2 2 374.485 0.596 10 0 FCAELP CC[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000898137108 1192862719 /nfs/dbraw/zinc/86/27/19/1192862719.db2.gz LPNYTTDHMAQCGE-IRXDYDNUSA-N 2 2 374.485 0.596 10 0 FCAELP CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001719726703 1179801640 /nfs/dbraw/zinc/80/16/40/1179801640.db2.gz LMIOOHIRSVKQTO-HZPDHXFCSA-N 2 2 363.506 0.905 10 0 FCAELP CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001719726703 1179801643 /nfs/dbraw/zinc/80/16/43/1179801643.db2.gz LMIOOHIRSVKQTO-HZPDHXFCSA-N 2 2 363.506 0.905 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCCC2CC[NH+](Cc3nnnn3C)CC2)CC[N@@H+]1C ZINC001267943389 1183168710 /nfs/dbraw/zinc/16/87/10/1183168710.db2.gz LUSAUTJWABCNGL-JKSUJKDBSA-N 2 2 363.510 0.659 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCCC2CC[NH+](Cc3nnnn3C)CC2)CC[N@H+]1C ZINC001267943389 1183168716 /nfs/dbraw/zinc/16/87/16/1183168716.db2.gz LUSAUTJWABCNGL-JKSUJKDBSA-N 2 2 363.510 0.659 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001267963450 1183206308 /nfs/dbraw/zinc/20/63/08/1183206308.db2.gz OMVUOWUJJRNONQ-BZUAXINKSA-N 2 2 359.474 0.630 10 0 FCAELP CN(CC[NH+]1CCN(C(=O)CC[NH+](C)C)CC1)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001745703611 1187485125 /nfs/dbraw/zinc/48/51/25/1187485125.db2.gz NVEZSMYPLZKUCI-ZWKOTPCHSA-N 2 2 364.534 0.977 10 0 FCAELP CC[C@H](CO)N1CC[NH+]([C@@H](C)CCN2CC[NH+]([C@H](CC)CO)CC2)CC1 ZINC000245670971 1187511961 /nfs/dbraw/zinc/51/19/61/1187511961.db2.gz CYVYIQDQDSAKMD-XUVXKRRUSA-N 2 2 370.582 0.542 10 0 FCAELP C[C@@H](C[NH2+]CCN1C(=O)CCC1=O)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001482334131 1188321505 /nfs/dbraw/zinc/32/15/05/1188321505.db2.gz MYTMXCFHNMENCO-BFHYXJOUSA-N 2 2 361.446 0.109 10 0 FCAELP COc1nccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n1 ZINC001482334334 1188321649 /nfs/dbraw/zinc/32/16/49/1188321649.db2.gz PWYWHTMOWCFIKB-BPLDGKMQSA-N 2 2 358.446 0.959 10 0 FCAELP C[C@@]1(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CCC[N@H+](CCO)C1 ZINC001270973518 1189460531 /nfs/dbraw/zinc/46/05/31/1189460531.db2.gz BZBHQEXTNKYIRR-AOIWGVFYSA-N 2 2 369.506 0.077 10 0 FCAELP C[C@@]1(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CCC[N@@H+](CCO)C1 ZINC001270973518 1189460545 /nfs/dbraw/zinc/46/05/45/1189460545.db2.gz BZBHQEXTNKYIRR-AOIWGVFYSA-N 2 2 369.506 0.077 10 0 FCAELP C[C@@H](NC(=O)CN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC000896571256 1190096656 /nfs/dbraw/zinc/09/66/56/1190096656.db2.gz PHRJBNLIBUMQAL-QUCCMNQESA-N 2 2 373.545 0.555 10 0 FCAELP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000550898599 1193819076 /nfs/dbraw/zinc/81/90/76/1193819076.db2.gz HDGDPEXOYCHSOA-RHSMWYFYSA-N 2 2 371.485 0.766 10 0 FCAELP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000550898599 1193819078 /nfs/dbraw/zinc/81/90/78/1193819078.db2.gz HDGDPEXOYCHSOA-RHSMWYFYSA-N 2 2 371.485 0.766 10 0 FCAELP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000551848106 1193873710 /nfs/dbraw/zinc/87/37/10/1193873710.db2.gz AKHKOLJTSWXOAX-IAGOWNOFSA-N 2 2 369.469 0.603 10 0 FCAELP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000552769027 1193950862 /nfs/dbraw/zinc/95/08/62/1193950862.db2.gz YJSMDZOZRSEBMI-HWOWSKLDSA-N 2 2 361.490 0.973 10 0 FCAELP C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC000553040703 1193967420 /nfs/dbraw/zinc/96/74/20/1193967420.db2.gz LUYUSWGFZNCJQS-WBVHZDCISA-N 2 2 366.506 0.299 10 0 FCAELP C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)[N@@H+](C)C1CC1 ZINC000553040703 1193967422 /nfs/dbraw/zinc/96/74/22/1193967422.db2.gz LUYUSWGFZNCJQS-WBVHZDCISA-N 2 2 366.506 0.299 10 0 FCAELP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC000898988132 1194092700 /nfs/dbraw/zinc/09/27/00/1194092700.db2.gz SDSLBGOVDKWURV-UXHICEINSA-N 2 2 372.513 0.640 10 0 FCAELP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC000898988132 1194092703 /nfs/dbraw/zinc/09/27/03/1194092703.db2.gz SDSLBGOVDKWURV-UXHICEINSA-N 2 2 372.513 0.640 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CC(c4ccccn4)=NO3)C2)CC1 ZINC000906659241 1195646422 /nfs/dbraw/zinc/64/64/22/1195646422.db2.gz AAEYMGOFFYPADB-RDTXWAMCSA-N 2 2 357.458 0.859 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CC(c4ccccn4)=NO3)C2)CC1 ZINC000906659241 1195646428 /nfs/dbraw/zinc/64/64/28/1195646428.db2.gz AAEYMGOFFYPADB-RDTXWAMCSA-N 2 2 357.458 0.859 10 0 FCAELP CN(C(=O)CCNC(=O)CO)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000907124776 1195679785 /nfs/dbraw/zinc/67/97/85/1195679785.db2.gz SIASFONQIDSTBI-DLBZAZTESA-N 2 2 368.522 0.281 10 0 FCAELP CN(C(=O)CCNC(=O)CO)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000907124776 1195679789 /nfs/dbraw/zinc/67/97/89/1195679789.db2.gz SIASFONQIDSTBI-DLBZAZTESA-N 2 2 368.522 0.281 10 0 FCAELP CC[C@H](CO)[NH+]1CCN(CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000788479788 1200962046 /nfs/dbraw/zinc/96/20/46/1200962046.db2.gz BZQZTNMQFGSTBL-QGZVFWFLSA-N 2 2 370.538 0.928 10 0 FCAELP C[NH+]1CCN(C(=O)c2ccc(-c3noc(C[C@H]4CC[NH2+]C4)n3)cn2)CC1 ZINC000822972188 1203243014 /nfs/dbraw/zinc/24/30/14/1203243014.db2.gz HQCNSHLXADJMDR-CYBMUJFWSA-N 2 2 356.430 0.671 10 0 FCAELP CN(C(=O)c1cn(C(F)(F)CO)nn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001145066339 1204678463 /nfs/dbraw/zinc/67/84/63/1204678463.db2.gz QPBKZUCNBUDABD-ZDUSSCGKSA-N 2 2 372.420 0.060 10 0 FCAELP CN(C(=O)c1cn(C(F)(F)CO)nn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001145066339 1204678466 /nfs/dbraw/zinc/67/84/66/1204678466.db2.gz QPBKZUCNBUDABD-ZDUSSCGKSA-N 2 2 372.420 0.060 10 0 FCAELP CNC(=O)N[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001176112677 1206310591 /nfs/dbraw/zinc/31/05/91/1206310591.db2.gz AFLIOUDFTCTZIL-MRXNPFEDSA-N 2 2 374.489 0.514 10 0 FCAELP CNC(=O)N[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001176112677 1206310595 /nfs/dbraw/zinc/31/05/95/1206310595.db2.gz AFLIOUDFTCTZIL-MRXNPFEDSA-N 2 2 374.489 0.514 10 0 FCAELP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCN(c4cccc[nH+]4)CC3)CC[C@H]21 ZINC000867281424 1208269022 /nfs/dbraw/zinc/26/90/22/1208269022.db2.gz BUNXASCCDNQRHC-JKSUJKDBSA-N 2 2 357.458 0.283 10 0 FCAELP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCN(c4cccc[nH+]4)CC3)CC[C@H]21 ZINC000867281424 1208269027 /nfs/dbraw/zinc/26/90/27/1208269027.db2.gz BUNXASCCDNQRHC-JKSUJKDBSA-N 2 2 357.458 0.283 10 0 FCAELP CN(CCOCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001487583029 1208381836 /nfs/dbraw/zinc/38/18/36/1208381836.db2.gz PEIHEYYMRDQYQJ-RRFJBIMHSA-N 2 2 363.462 0.056 10 0 FCAELP CN(CCOCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001487583029 1208381838 /nfs/dbraw/zinc/38/18/38/1208381838.db2.gz PEIHEYYMRDQYQJ-RRFJBIMHSA-N 2 2 363.462 0.056 10 0 FCAELP CN(CCOCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001487583029 1208381844 /nfs/dbraw/zinc/38/18/44/1208381844.db2.gz PEIHEYYMRDQYQJ-RRFJBIMHSA-N 2 2 363.462 0.056 10 0 FCAELP CN(CCOCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001487583029 1208381847 /nfs/dbraw/zinc/38/18/47/1208381847.db2.gz PEIHEYYMRDQYQJ-RRFJBIMHSA-N 2 2 363.462 0.056 10 0 FCAELP Cc1[nH+]c[nH]c1CC(=O)NCC1=CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001488629121 1208546054 /nfs/dbraw/zinc/54/60/54/1208546054.db2.gz AXJIUCPAEDZUTD-GDBMZVCRSA-N 2 2 359.474 0.876 10 0 FCAELP Cc1[nH+]c[nH]c1CC(=O)NCC1=CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001488629121 1208546061 /nfs/dbraw/zinc/54/60/61/1208546061.db2.gz AXJIUCPAEDZUTD-GDBMZVCRSA-N 2 2 359.474 0.876 10 0 FCAELP C[NH+](C)CCC(=O)N1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001488863580 1208555624 /nfs/dbraw/zinc/55/56/24/1208555624.db2.gz HXVJXHWNCCXAJP-RBSFLKMASA-N 2 2 363.462 0.199 10 0 FCAELP C[NH+](C)CCC(=O)N1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001488863580 1208555630 /nfs/dbraw/zinc/55/56/30/1208555630.db2.gz HXVJXHWNCCXAJP-RBSFLKMASA-N 2 2 363.462 0.199 10 0 FCAELP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NCC2CCC2)C1 ZINC001488962199 1208588377 /nfs/dbraw/zinc/58/83/77/1208588377.db2.gz YCIHKDWDKVEMFW-JKSUJKDBSA-N 2 2 361.490 0.753 10 0 FCAELP CCOCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H]1CC ZINC001489122514 1208631550 /nfs/dbraw/zinc/63/15/50/1208631550.db2.gz GRJMGXDLVBVZCH-GVDBMIGSSA-N 2 2 368.522 0.593 10 0 FCAELP CCOCCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H]1CC ZINC001489122514 1208631552 /nfs/dbraw/zinc/63/15/52/1208631552.db2.gz GRJMGXDLVBVZCH-GVDBMIGSSA-N 2 2 368.522 0.593 10 0 FCAELP CCOCCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@H]1CC ZINC001489122514 1208631555 /nfs/dbraw/zinc/63/15/55/1208631555.db2.gz GRJMGXDLVBVZCH-GVDBMIGSSA-N 2 2 368.522 0.593 10 0 FCAELP CCOCCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@H]1CC ZINC001489122514 1208631559 /nfs/dbraw/zinc/63/15/59/1208631559.db2.gz GRJMGXDLVBVZCH-GVDBMIGSSA-N 2 2 368.522 0.593 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001489140043 1208641306 /nfs/dbraw/zinc/64/13/06/1208641306.db2.gz BZDFOFPOUJNWNQ-UONOGXRCSA-N 2 2 352.483 0.309 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001489140043 1208641315 /nfs/dbraw/zinc/64/13/15/1208641315.db2.gz BZDFOFPOUJNWNQ-UONOGXRCSA-N 2 2 352.483 0.309 10 0 FCAELP CCS(=O)(=O)CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001489209115 1208673472 /nfs/dbraw/zinc/67/34/72/1208673472.db2.gz LOUWQRAVVMZJCM-CVEARBPZSA-N 2 2 368.503 0.488 10 0 FCAELP CCS(=O)(=O)CCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001489209115 1208673474 /nfs/dbraw/zinc/67/34/74/1208673474.db2.gz LOUWQRAVVMZJCM-CVEARBPZSA-N 2 2 368.503 0.488 10 0 FCAELP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001489478110 1208857085 /nfs/dbraw/zinc/85/70/85/1208857085.db2.gz WFWLKOCHGWTMIA-IVMMDQJWSA-N 2 2 367.469 0.904 10 0 FCAELP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001489494145 1208890022 /nfs/dbraw/zinc/89/00/22/1208890022.db2.gz DQIWFJDCADEIFJ-KLHDSHLOSA-N 2 2 361.490 0.829 10 0 FCAELP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001489494145 1208890023 /nfs/dbraw/zinc/89/00/23/1208890023.db2.gz DQIWFJDCADEIFJ-KLHDSHLOSA-N 2 2 361.490 0.829 10 0 FCAELP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001489686854 1209087482 /nfs/dbraw/zinc/08/74/82/1209087482.db2.gz AAHHXHWQZAQSGI-OAGGEKHMSA-N 2 2 354.495 0.201 10 0 FCAELP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001489686854 1209087486 /nfs/dbraw/zinc/08/74/86/1209087486.db2.gz AAHHXHWQZAQSGI-OAGGEKHMSA-N 2 2 354.495 0.201 10 0 FCAELP CC(C)[NH+](C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001489686854 1209087489 /nfs/dbraw/zinc/08/74/89/1209087489.db2.gz AAHHXHWQZAQSGI-OAGGEKHMSA-N 2 2 354.495 0.201 10 0 FCAELP CC(C)[NH+](C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001489686854 1209087491 /nfs/dbraw/zinc/08/74/91/1209087491.db2.gz AAHHXHWQZAQSGI-OAGGEKHMSA-N 2 2 354.495 0.201 10 0 FCAELP CCC[N@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001490237874 1209283697 /nfs/dbraw/zinc/28/36/97/1209283697.db2.gz NJRJDCRZXCVZLH-BEFAXECRSA-N 2 2 361.490 0.991 10 0 FCAELP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001490237874 1209283703 /nfs/dbraw/zinc/28/37/03/1209283703.db2.gz NJRJDCRZXCVZLH-BEFAXECRSA-N 2 2 361.490 0.991 10 0 FCAELP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3nc(=O)n(C)[nH]3)C2)ccn1 ZINC000856603584 1209717568 /nfs/dbraw/zinc/71/75/68/1209717568.db2.gz LTTINNVWFNEVEW-MRXNPFEDSA-N 2 2 360.462 0.997 10 0 FCAELP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3nc(=O)n(C)[nH]3)C2)ccn1 ZINC000856603584 1209717572 /nfs/dbraw/zinc/71/75/72/1209717572.db2.gz LTTINNVWFNEVEW-MRXNPFEDSA-N 2 2 360.462 0.997 10 0 FCAELP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)ccn1 ZINC000856603584 1209717575 /nfs/dbraw/zinc/71/75/75/1209717575.db2.gz LTTINNVWFNEVEW-MRXNPFEDSA-N 2 2 360.462 0.997 10 0 FCAELP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)ccn1 ZINC000856603584 1209717578 /nfs/dbraw/zinc/71/75/78/1209717578.db2.gz LTTINNVWFNEVEW-MRXNPFEDSA-N 2 2 360.462 0.997 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)N[C@H](C[C@H]4CCCOC4)C3=O)C2)CC1 ZINC000863504219 1209943667 /nfs/dbraw/zinc/94/36/67/1209943667.db2.gz FPPKXMIAPPHDCC-HYVNUMGLSA-N 2 2 364.490 0.892 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)N[C@H](C[C@H]4CCCOC4)C3=O)C2)CC1 ZINC000863504219 1209943669 /nfs/dbraw/zinc/94/36/69/1209943669.db2.gz FPPKXMIAPPHDCC-HYVNUMGLSA-N 2 2 364.490 0.892 10 0 FCAELP NC(=O)c1ccc(CC[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)cc1 ZINC000866665943 1210000779 /nfs/dbraw/zinc/00/07/79/1210000779.db2.gz IUBFHBWLSFWAMU-UHFFFAOYSA-N 2 2 354.458 0.902 10 0 FCAELP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+]([C@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000866714106 1210005298 /nfs/dbraw/zinc/00/52/98/1210005298.db2.gz GEUPOXGZPADZDB-ZFVVBOAOSA-N 2 2 374.416 0.798 10 0 FCAELP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+]([C@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000866714106 1210005303 /nfs/dbraw/zinc/00/53/03/1210005303.db2.gz GEUPOXGZPADZDB-ZFVVBOAOSA-N 2 2 374.416 0.798 10 0 FCAELP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC[C@H]21 ZINC000867586964 1210016132 /nfs/dbraw/zinc/01/61/32/1210016132.db2.gz PRFNASKDOUUZFA-RTBURBONSA-N 2 2 370.497 0.883 10 0 FCAELP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC[C@H]21 ZINC000867586964 1210016134 /nfs/dbraw/zinc/01/61/34/1210016134.db2.gz PRFNASKDOUUZFA-RTBURBONSA-N 2 2 370.497 0.883 10 0 FCAELP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3cn(CCC[NH3+])nn3)C2)c1 ZINC000867998702 1210038617 /nfs/dbraw/zinc/03/86/17/1210038617.db2.gz ZAPSIAVRQHDKET-KRWDZBQOSA-N 2 2 372.473 0.566 10 0 FCAELP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)c3cn(CCC[NH3+])nn3)C2)c1 ZINC000867998702 1210038620 /nfs/dbraw/zinc/03/86/20/1210038620.db2.gz ZAPSIAVRQHDKET-KRWDZBQOSA-N 2 2 372.473 0.566 10 0 FCAELP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000870977248 1210124320 /nfs/dbraw/zinc/12/43/20/1210124320.db2.gz CPJQZDBMESUIPD-IRXDYDNUSA-N 2 2 363.458 0.593 10 0 FCAELP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000870977248 1210124324 /nfs/dbraw/zinc/12/43/24/1210124324.db2.gz CPJQZDBMESUIPD-IRXDYDNUSA-N 2 2 363.458 0.593 10 0 FCAELP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870997775 1210125789 /nfs/dbraw/zinc/12/57/89/1210125789.db2.gz QGPYKAYJTFQJAO-BMFZPTHFSA-N 2 2 368.397 0.274 10 0 FCAELP CC[NH+]1CCN(CC(=O)NC[C@H]2C[N@H+](Cc3ccccc3C)CCO2)CC1 ZINC000871285897 1210139655 /nfs/dbraw/zinc/13/96/55/1210139655.db2.gz WLXCEZKRUBXJPB-FQEVSTJZSA-N 2 2 374.529 0.950 10 0 FCAELP CC[NH+]1CCN(CC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3C)CCO2)CC1 ZINC000871285897 1210139659 /nfs/dbraw/zinc/13/96/59/1210139659.db2.gz WLXCEZKRUBXJPB-FQEVSTJZSA-N 2 2 374.529 0.950 10 0 FCAELP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CC[C@@H](O)[C@@H](O)C2)CC1 ZINC000879612647 1210491441 /nfs/dbraw/zinc/49/14/41/1210491441.db2.gz IZGYQDWDZBADGJ-MOPGFXCFSA-N 2 2 361.486 0.457 10 0 FCAELP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CC[C@@H](O)[C@@H](O)C2)CC1 ZINC000879612647 1210491457 /nfs/dbraw/zinc/49/14/57/1210491457.db2.gz IZGYQDWDZBADGJ-MOPGFXCFSA-N 2 2 361.486 0.457 10 0 FCAELP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CC[C@@H](O)[C@@H](O)C2)CC1 ZINC000879612647 1210491474 /nfs/dbraw/zinc/49/14/74/1210491474.db2.gz IZGYQDWDZBADGJ-MOPGFXCFSA-N 2 2 361.486 0.457 10 0 FCAELP COCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001274356103 1211036887 /nfs/dbraw/zinc/03/68/87/1211036887.db2.gz AVAIHYHZADLBHI-SJORKVTESA-N 2 2 369.506 0.483 10 0 FCAELP Cn1nccc1[C@H]1NC(=O)N(CC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1=O ZINC000925327717 1211495858 /nfs/dbraw/zinc/49/58/58/1211495858.db2.gz FUKUPCSAFCEYMP-MRXNPFEDSA-N 2 2 374.489 0.963 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1C[NH3+] ZINC000926370414 1211540811 /nfs/dbraw/zinc/54/08/11/1211540811.db2.gz RQNZQPPTDIXBAS-AEFFLSMTSA-N 2 2 358.486 0.774 10 0 FCAELP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000927818849 1211583419 /nfs/dbraw/zinc/58/34/19/1211583419.db2.gz YGDBSKJSNXLJBB-WBVHZDCISA-N 2 2 373.501 0.344 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCc2nnn(C)c2C1 ZINC000927853748 1211585385 /nfs/dbraw/zinc/58/53/85/1211585385.db2.gz RFGFBNWVZFLTSC-CQSZACIVSA-N 2 2 363.510 0.340 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCc2nnn(C)c2C1 ZINC000927853748 1211585389 /nfs/dbraw/zinc/58/53/89/1211585389.db2.gz RFGFBNWVZFLTSC-CQSZACIVSA-N 2 2 363.510 0.340 10 0 FCAELP O=C(NCCCCCN1CC[NH2+]CC1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000927870138 1211587967 /nfs/dbraw/zinc/58/79/67/1211587967.db2.gz MHBOZIXRSDUQDQ-UHFFFAOYSA-N 2 2 358.446 0.465 10 0 FCAELP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000928647086 1211607457 /nfs/dbraw/zinc/60/74/57/1211607457.db2.gz DVFMIWPFMVEXDA-KURKYZTESA-N 2 2 363.506 0.682 10 0 FCAELP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000928647086 1211607460 /nfs/dbraw/zinc/60/74/60/1211607460.db2.gz DVFMIWPFMVEXDA-KURKYZTESA-N 2 2 363.506 0.682 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000930811461 1211723233 /nfs/dbraw/zinc/72/32/33/1211723233.db2.gz VYOWPDUAIJKADR-UHFFFAOYSA-N 2 2 361.490 0.992 10 0 FCAELP Cc1cc(CNC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cc(C)[nH+]1 ZINC000930872782 1211725980 /nfs/dbraw/zinc/72/59/80/1211725980.db2.gz SHPDHVBZYVUGFG-IRXDYDNUSA-N 2 2 360.458 0.372 10 0 FCAELP Cc1cc(CNC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cc(C)[nH+]1 ZINC000930872782 1211725985 /nfs/dbraw/zinc/72/59/85/1211725985.db2.gz SHPDHVBZYVUGFG-IRXDYDNUSA-N 2 2 360.458 0.372 10 0 FCAELP C[C@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000930949964 1211730409 /nfs/dbraw/zinc/73/04/09/1211730409.db2.gz UILZAOSIIPRHDN-OAGGEKHMSA-N 2 2 370.538 0.647 10 0 FCAELP C[C@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000930949964 1211730411 /nfs/dbraw/zinc/73/04/11/1211730411.db2.gz UILZAOSIIPRHDN-OAGGEKHMSA-N 2 2 370.538 0.647 10 0 FCAELP CCO[C@@H](CNC(=O)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C)C[NH+](C)C ZINC000931150391 1211743144 /nfs/dbraw/zinc/74/31/44/1211743144.db2.gz SKOYOKIKGJUOLB-RDJZCZTQSA-N 2 2 362.474 0.372 10 0 FCAELP CCO[C@@H](CNC(=O)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C)C[NH+](C)C ZINC000931150391 1211743147 /nfs/dbraw/zinc/74/31/47/1211743147.db2.gz SKOYOKIKGJUOLB-RDJZCZTQSA-N 2 2 362.474 0.372 10 0 FCAELP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000900174902 1217967887 /nfs/dbraw/zinc/96/78/87/1217967887.db2.gz QYXXYGRHFOCQNB-PZJWPPBQSA-N 2 2 374.529 0.766 10 0 FCAELP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000900174902 1217967891 /nfs/dbraw/zinc/96/78/91/1217967891.db2.gz QYXXYGRHFOCQNB-PZJWPPBQSA-N 2 2 374.529 0.766 10 0 FCAELP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000900174902 1217967901 /nfs/dbraw/zinc/96/79/01/1217967901.db2.gz QYXXYGRHFOCQNB-PZJWPPBQSA-N 2 2 374.529 0.766 10 0 FCAELP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000900174902 1217967907 /nfs/dbraw/zinc/96/79/07/1217967907.db2.gz QYXXYGRHFOCQNB-PZJWPPBQSA-N 2 2 374.529 0.766 10 0 FCAELP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)cc2)CC1 ZINC000900209147 1217971461 /nfs/dbraw/zinc/97/14/61/1217971461.db2.gz PXWALAHPSRNKKN-TZIWHRDSSA-N 2 2 374.529 0.895 10 0 FCAELP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)cc2)CC1 ZINC000900209147 1217971466 /nfs/dbraw/zinc/97/14/66/1217971466.db2.gz PXWALAHPSRNKKN-TZIWHRDSSA-N 2 2 374.529 0.895 10 0 FCAELP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000900208723 1217971881 /nfs/dbraw/zinc/97/18/81/1217971881.db2.gz CDPSZUATIZKKSJ-PXNSSMCTSA-N 2 2 374.485 0.146 10 0 FCAELP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000900208723 1217971885 /nfs/dbraw/zinc/97/18/85/1217971885.db2.gz CDPSZUATIZKKSJ-PXNSSMCTSA-N 2 2 374.485 0.146 10 0 FCAELP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C3C[NH+]([C@@H]4CCOC4)C3)cc2)CC1 ZINC000900348373 1217981453 /nfs/dbraw/zinc/98/14/53/1217981453.db2.gz XRWLQCHOYKSUNT-GOSISDBHSA-N 2 2 372.469 0.733 10 0 FCAELP C/C(=C\C(=O)NCc1cccnc1N1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000900398554 1217985670 /nfs/dbraw/zinc/98/56/70/1217985670.db2.gz PQSPNYXWLIOOPZ-SAPNQHFASA-N 2 2 373.501 0.728 10 0 FCAELP C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C[C@@H]1n1cc[nH+]c1 ZINC000903760924 1218519414 /nfs/dbraw/zinc/51/94/14/1218519414.db2.gz XKPXZJDKYABXJL-LOWDOPEQSA-N 2 2 373.379 0.641 10 0 FCAELP Cc1c(C[C@H](C[NH3+])CN2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)cnn1C ZINC000903879302 1218559547 /nfs/dbraw/zinc/55/95/47/1218559547.db2.gz XSYLAOLTCUIZJQ-HZPDHXFCSA-N 2 2 362.522 0.131 10 0 FCAELP CS(=O)(=O)CC1(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001490901284 1219613343 /nfs/dbraw/zinc/61/33/43/1219613343.db2.gz BOTMBQKTEFVUKR-AAVRWANBSA-N 2 2 366.487 0.575 10 0 FCAELP CS(=O)(=O)CC1(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001490901284 1219613344 /nfs/dbraw/zinc/61/33/44/1219613344.db2.gz BOTMBQKTEFVUKR-AAVRWANBSA-N 2 2 366.487 0.575 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000783985233 1221227112 /nfs/dbraw/zinc/22/71/12/1221227112.db2.gz TZVPWGDLCWLPMQ-MSOLQXFVSA-N 2 2 374.533 0.795 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000783985233 1221227115 /nfs/dbraw/zinc/22/71/15/1221227115.db2.gz TZVPWGDLCWLPMQ-MSOLQXFVSA-N 2 2 374.533 0.795 10 0 FCAELP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C[C@H]1C(F)(F)F ZINC001119066465 1221862085 /nfs/dbraw/zinc/86/20/85/1221862085.db2.gz LGXICIOAGDAGHG-VXGBXAGGSA-N 2 2 373.379 0.711 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3noc4c3COCC4)C2)CC1 ZINC001119610043 1221940032 /nfs/dbraw/zinc/94/00/32/1221940032.db2.gz VGYOVISIVNRUKW-CYBMUJFWSA-N 2 2 363.462 0.715 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3noc4c3COCC4)C2)CC1 ZINC001119610043 1221940039 /nfs/dbraw/zinc/94/00/39/1221940039.db2.gz VGYOVISIVNRUKW-CYBMUJFWSA-N 2 2 363.462 0.715 10 0 FCAELP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H](C[NH2+]Cc1cnnn1C)C1CC1 ZINC001277703626 1226164390 /nfs/dbraw/zinc/16/43/90/1226164390.db2.gz XKIBNGVZHMOUML-BZUAXINKSA-N 2 2 357.462 0.679 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848935302 1245388952 /nfs/dbraw/zinc/38/89/52/1245388952.db2.gz KUISPRWOBVPAMR-UHDSXZAQSA-N 2 2 368.522 0.589 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848935302 1245388959 /nfs/dbraw/zinc/38/89/59/1245388959.db2.gz KUISPRWOBVPAMR-UHDSXZAQSA-N 2 2 368.522 0.589 10 0 FCAELP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCC[NH+]2CCOC(C)(C)C2)cn1 ZINC000849513794 1245398795 /nfs/dbraw/zinc/39/87/95/1245398795.db2.gz DXIJFULAERZFMY-DLBZAZTESA-N 2 2 363.506 0.682 10 0 FCAELP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCC[NH+]2CCOC(C)(C)C2)cn1 ZINC000849513794 1245398802 /nfs/dbraw/zinc/39/88/02/1245398802.db2.gz DXIJFULAERZFMY-DLBZAZTESA-N 2 2 363.506 0.682 10 0 FCAELP Cn1cc([C@H]2C[NH+](C)CC[C@@H]2C(=O)NCC[N@@H+]2CCOC(C)(C)C2)cn1 ZINC000849513794 1245398809 /nfs/dbraw/zinc/39/88/09/1245398809.db2.gz DXIJFULAERZFMY-DLBZAZTESA-N 2 2 363.506 0.682 10 0 FCAELP Cn1cc([C@H]2C[NH+](C)CC[C@@H]2C(=O)NCC[N@H+]2CCOC(C)(C)C2)cn1 ZINC000849513794 1245398816 /nfs/dbraw/zinc/39/88/16/1245398816.db2.gz DXIJFULAERZFMY-DLBZAZTESA-N 2 2 363.506 0.682 10 0 FCAELP C/C(=C/C(=O)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1)C[NH+]1CCOCC1 ZINC000909368035 1245481882 /nfs/dbraw/zinc/48/18/82/1245481882.db2.gz QHZUMYVTRIAALJ-WAIALKQBSA-N 2 2 364.490 0.078 10 0 FCAELP C/C(=C\C(=O)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1)C[NH+]1CCOCC1 ZINC000909368037 1245482219 /nfs/dbraw/zinc/48/22/19/1245482219.db2.gz QHZUMYVTRIAALJ-ZQHZRZASSA-N 2 2 364.490 0.078 10 0 FCAELP Cn1nnc2c1C[C@H](NC(=O)N[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000918905049 1245588096 /nfs/dbraw/zinc/58/80/96/1245588096.db2.gz CNQLOBJDLQBJOA-KGLIPLIRSA-N 2 2 361.494 0.140 10 0 FCAELP Cn1nnc2c1C[C@H](NC(=O)N[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000918905049 1245588104 /nfs/dbraw/zinc/58/81/04/1245588104.db2.gz CNQLOBJDLQBJOA-KGLIPLIRSA-N 2 2 361.494 0.140 10 0 FCAELP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001515241512 1265480124 /nfs/dbraw/zinc/48/01/24/1265480124.db2.gz VXELEUIFWXJDHP-OWCLPIDISA-N 2 2 365.478 0.203 10 0 FCAELP Cc1cc(C)c(CNC(=O)C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c[nH+]1 ZINC001328971967 1265667125 /nfs/dbraw/zinc/66/71/25/1265667125.db2.gz HDYNNKSVWLKSGM-GOSISDBHSA-N 2 2 374.485 0.932 10 0 FCAELP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)C1 ZINC001329952561 1265905518 /nfs/dbraw/zinc/90/55/18/1265905518.db2.gz QHNVSNRETCSKGG-XHSDSOJGSA-N 2 2 359.474 0.554 10 0 FCAELP CNc1cc(CNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc[nH+]1 ZINC001520799900 1266005508 /nfs/dbraw/zinc/00/55/08/1266005508.db2.gz JIMVLRMVPJUAEV-UHFFFAOYSA-N 2 2 362.478 0.865 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001520919337 1266039061 /nfs/dbraw/zinc/03/90/61/1266039061.db2.gz CXZRSFUZBWWXME-OIISXLGYSA-N 2 2 359.474 0.721 10 0 FCAELP CC(C)C[C@@H](C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)n1cc[nH+]c1 ZINC001520928341 1266043950 /nfs/dbraw/zinc/04/39/50/1266043950.db2.gz VPJCILMTKFEYJK-XYJFISCASA-N 2 2 350.463 0.812 10 0 FCAELP CC(C)C[C@@H](C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)n1cc[nH+]c1 ZINC001520928341 1266043961 /nfs/dbraw/zinc/04/39/61/1266043961.db2.gz VPJCILMTKFEYJK-XYJFISCASA-N 2 2 350.463 0.812 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)[C@@H](C)C[NH2+]1 ZINC001331474780 1266222048 /nfs/dbraw/zinc/22/20/48/1266222048.db2.gz KZGBLFDIBHVSGK-DLTLXFJOSA-N 2 2 362.449 0.896 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)[C@@H](C)C[NH2+]1 ZINC001331474780 1266222054 /nfs/dbraw/zinc/22/20/54/1266222054.db2.gz KZGBLFDIBHVSGK-DLTLXFJOSA-N 2 2 362.449 0.896 10 0 FCAELP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001521934759 1266241611 /nfs/dbraw/zinc/24/16/11/1266241611.db2.gz QOSKEFRLMMHGSC-BZUAXINKSA-N 2 2 361.490 0.515 10 0 FCAELP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001521934759 1266241622 /nfs/dbraw/zinc/24/16/22/1266241622.db2.gz QOSKEFRLMMHGSC-BZUAXINKSA-N 2 2 361.490 0.515 10 0 FCAELP CN(C(=O)c1cn([C@@H]2CC[C@H]2O)nn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001262155427 1260271027 /nfs/dbraw/zinc/27/10/27/1260271027.db2.gz KWUBHCHCIASPFU-USXIJHARSA-N 2 2 362.478 0.214 10 0 FCAELP CN(C(=O)c1cn([C@@H]2CC[C@H]2O)nn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001262155427 1260271034 /nfs/dbraw/zinc/27/10/34/1260271034.db2.gz KWUBHCHCIASPFU-USXIJHARSA-N 2 2 362.478 0.214 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@]34C[C@@H]3CCCC4)C2)CC1 ZINC001262252643 1260289951 /nfs/dbraw/zinc/28/99/51/1260289951.db2.gz WQIGSQMYYONCHD-TWOQFEAHSA-N 2 2 362.518 0.968 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@]34C[C@@H]3CCCC4)C2)CC1 ZINC001262252643 1260289955 /nfs/dbraw/zinc/28/99/55/1260289955.db2.gz WQIGSQMYYONCHD-TWOQFEAHSA-N 2 2 362.518 0.968 10 0 FCAELP CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001264647834 1260390718 /nfs/dbraw/zinc/39/07/18/1260390718.db2.gz UYEMKVPKOPNDGM-OIISXLGYSA-N 2 2 361.490 0.887 10 0 FCAELP CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001264647834 1260390723 /nfs/dbraw/zinc/39/07/23/1260390723.db2.gz UYEMKVPKOPNDGM-OIISXLGYSA-N 2 2 361.490 0.887 10 0 FCAELP Cc1nc(CN2CC[NH+](CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c(C)o1 ZINC001265258896 1260410164 /nfs/dbraw/zinc/41/01/64/1260410164.db2.gz SGESPVCLAYJHTF-RHSMWYFYSA-N 2 2 363.506 0.865 10 0 FCAELP Cc1nc(CN2CC[NH+](CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c(C)o1 ZINC001265258896 1260410169 /nfs/dbraw/zinc/41/01/69/1260410169.db2.gz SGESPVCLAYJHTF-RHSMWYFYSA-N 2 2 363.506 0.865 10 0 FCAELP COC[C@]1(c2nc(CC(=O)N3CCC([NH+](C)C)CC3)no2)CCCC[NH2+]1 ZINC001332278370 1266369678 /nfs/dbraw/zinc/36/96/78/1266369678.db2.gz QZRCNNQBEOCXSG-SFHVURJKSA-N 2 2 365.478 0.780 10 0 FCAELP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001281793251 1261199056 /nfs/dbraw/zinc/19/90/56/1261199056.db2.gz VAERWTVOXRJMPO-HLLBOEOZSA-N 2 2 361.490 0.800 10 0 FCAELP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001281793251 1261199057 /nfs/dbraw/zinc/19/90/57/1261199057.db2.gz VAERWTVOXRJMPO-HLLBOEOZSA-N 2 2 361.490 0.800 10 0 FCAELP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC001332414999 1266398792 /nfs/dbraw/zinc/39/87/92/1266398792.db2.gz BAIHIMLPVIGICG-HNNXBMFYSA-N 2 2 363.462 0.088 10 0 FCAELP C[NH+](C)CC1(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@H]32)CC1 ZINC001281984732 1261320823 /nfs/dbraw/zinc/32/08/23/1261320823.db2.gz CMVSFAAGYOOQTA-KCYZZUKISA-N 2 2 371.485 0.914 10 0 FCAELP C[NH+](C)CC1(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@H]32)CC1 ZINC001281984732 1261320828 /nfs/dbraw/zinc/32/08/28/1261320828.db2.gz CMVSFAAGYOOQTA-KCYZZUKISA-N 2 2 371.485 0.914 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001282274350 1261399675 /nfs/dbraw/zinc/39/96/75/1261399675.db2.gz QMLANDWRCOPZIG-XHSDSOJGSA-N 2 2 366.506 0.155 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001282274350 1261399680 /nfs/dbraw/zinc/39/96/80/1261399680.db2.gz QMLANDWRCOPZIG-XHSDSOJGSA-N 2 2 366.506 0.155 10 0 FCAELP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001282301461 1261408958 /nfs/dbraw/zinc/40/89/58/1261408958.db2.gz KYZFEMDIKYSNRS-CVEARBPZSA-N 2 2 361.490 0.611 10 0 FCAELP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1c[nH+]cn1C)[NH+](C)C ZINC001522189900 1266408897 /nfs/dbraw/zinc/40/88/97/1266408897.db2.gz OERZDCKQUKVFMK-GRZALLJUSA-N 2 2 361.490 0.797 10 0 FCAELP 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CCS(=O)(=O)CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001717549008 1287429147 /nfs/dbraw/zinc/42/91/47/1287429147.db2.gz PSIGGEZTXQGMKQ-IIAWOOMASA-N 2 2 359.536 0.588 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H](CO)[NH2+]CCc1ccccc1F ZINC001717777277 1287438540 /nfs/dbraw/zinc/43/85/40/1287438540.db2.gz BKCJISJJXIBLKV-BZUAXINKSA-N 2 2 360.433 0.972 10 0 FCAELP Cc1nc(C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)o1 ZINC001717939034 1287447349 /nfs/dbraw/zinc/44/73/49/1287447349.db2.gz XVFHFRRXLCQUGN-DAXOMENPSA-N 2 2 352.479 0.883 10 0 FCAELP Cc1nc(C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(C)o1 ZINC001717939034 1287447353 /nfs/dbraw/zinc/44/73/53/1287447353.db2.gz XVFHFRRXLCQUGN-DAXOMENPSA-N 2 2 352.479 0.883 10 0 FCAELP Cc1nc(C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)c(C)o1 ZINC001717939034 1287447361 /nfs/dbraw/zinc/44/73/61/1287447361.db2.gz XVFHFRRXLCQUGN-DAXOMENPSA-N 2 2 352.479 0.883 10 0 FCAELP Cc1nc(C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)c(C)o1 ZINC001717939034 1287447365 /nfs/dbraw/zinc/44/73/65/1287447365.db2.gz XVFHFRRXLCQUGN-DAXOMENPSA-N 2 2 352.479 0.883 10 0 FCAELP O=C(CC[NH+]1CCCCC1)NCC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001582193094 1281169591 /nfs/dbraw/zinc/16/95/91/1281169591.db2.gz QXHHRTBJUABIDO-HZPDHXFCSA-N 2 2 359.474 0.964 10 0 FCAELP O=C(CC[NH+]1CCCCC1)NCC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001582193094 1281169594 /nfs/dbraw/zinc/16/95/94/1281169594.db2.gz QXHHRTBJUABIDO-HZPDHXFCSA-N 2 2 359.474 0.964 10 0 FCAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]21 ZINC001718337320 1287495921 /nfs/dbraw/zinc/49/59/21/1287495921.db2.gz GROAIHCLJLEGRE-QCODTGAPSA-N 2 2 359.474 0.421 10 0 FCAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]21 ZINC001718337320 1287495927 /nfs/dbraw/zinc/49/59/27/1287495927.db2.gz GROAIHCLJLEGRE-QCODTGAPSA-N 2 2 359.474 0.421 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)Cc4[nH]cc[nH+]4)[C@@H]3C2)CC[N@@H+]1C ZINC001718340438 1287495959 /nfs/dbraw/zinc/49/59/59/1287495959.db2.gz ZDDFWJWBWNAFIR-RFBLXINOSA-N 2 2 359.474 0.503 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)Cc4[nH]cc[nH+]4)[C@@H]3C2)CC[N@H+]1C ZINC001718340438 1287495962 /nfs/dbraw/zinc/49/59/62/1287495962.db2.gz ZDDFWJWBWNAFIR-RFBLXINOSA-N 2 2 359.474 0.503 10 0 FCAELP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)CC[NH+]2CC[C@@H](F)C2)CC1 ZINC001632788227 1282209127 /nfs/dbraw/zinc/20/91/27/1282209127.db2.gz RDXSPVUNPDVKOQ-MRXNPFEDSA-N 2 2 356.486 0.823 10 0 FCAELP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)CC[NH+]2CC[C@@H](F)C2)CC1 ZINC001632788227 1282209136 /nfs/dbraw/zinc/20/91/36/1282209136.db2.gz RDXSPVUNPDVKOQ-MRXNPFEDSA-N 2 2 356.486 0.823 10 0 FCAELP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)CC[N@@H+]2CC[C@@H](F)C2)CC1 ZINC001632788227 1282209146 /nfs/dbraw/zinc/20/91/46/1282209146.db2.gz RDXSPVUNPDVKOQ-MRXNPFEDSA-N 2 2 356.486 0.823 10 0 FCAELP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)CC[N@H+]2CC[C@@H](F)C2)CC1 ZINC001632788227 1282209155 /nfs/dbraw/zinc/20/91/55/1282209155.db2.gz RDXSPVUNPDVKOQ-MRXNPFEDSA-N 2 2 356.486 0.823 10 0 FCAELP C[NH+](C)CCSc1nc(CC(=O)N2CC[N@H+](C)C[C@H]2CO)cs1 ZINC001586015865 1282267999 /nfs/dbraw/zinc/26/79/99/1282267999.db2.gz LXGRSTPANPPHOS-ZDUSSCGKSA-N 2 2 358.533 0.474 10 0 FCAELP C[NH+](C)CCSc1nc(CC(=O)N2CC[N@@H+](C)C[C@H]2CO)cs1 ZINC001586015865 1282268007 /nfs/dbraw/zinc/26/80/07/1282268007.db2.gz LXGRSTPANPPHOS-ZDUSSCGKSA-N 2 2 358.533 0.474 10 0 FCAELP CCC[N@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001719052236 1287625045 /nfs/dbraw/zinc/62/50/45/1287625045.db2.gz ONIQJKNWTLFNIX-GVDBMIGSSA-N 2 2 366.506 0.108 10 0 FCAELP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001719052236 1287625050 /nfs/dbraw/zinc/62/50/50/1287625050.db2.gz ONIQJKNWTLFNIX-GVDBMIGSSA-N 2 2 366.506 0.108 10 0 FCAELP CCC[NH+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001719052236 1287625054 /nfs/dbraw/zinc/62/50/54/1287625054.db2.gz ONIQJKNWTLFNIX-GVDBMIGSSA-N 2 2 366.506 0.108 10 0 FCAELP CCC[NH+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001719052236 1287625057 /nfs/dbraw/zinc/62/50/57/1287625057.db2.gz ONIQJKNWTLFNIX-GVDBMIGSSA-N 2 2 366.506 0.108 10 0 FCAELP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001684485165 1284186562 /nfs/dbraw/zinc/18/65/62/1284186562.db2.gz RQDXMYIOOOAQLU-LSDHHAIUSA-N 2 2 358.446 0.949 10 0 FCAELP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001702512841 1285693858 /nfs/dbraw/zinc/69/38/58/1285693858.db2.gz LYNCPXAKKNGPEX-QKPAOTATSA-N 2 2 361.490 0.875 10 0 FCAELP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001702512841 1285693862 /nfs/dbraw/zinc/69/38/62/1285693862.db2.gz LYNCPXAKKNGPEX-QKPAOTATSA-N 2 2 361.490 0.875 10 0 FCAELP CC[NH+](CC)CC(=O)N[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)[C@@H]1C ZINC001702698604 1285793357 /nfs/dbraw/zinc/79/33/57/1285793357.db2.gz YFOJUCKCTULLBR-PMPSAXMXSA-N 2 2 361.490 0.893 10 0 FCAELP CCC[N@H+](C)CC(=O)N1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC001702709310 1285807406 /nfs/dbraw/zinc/80/74/06/1285807406.db2.gz UYQBWRFWHRUXRB-OAGGEKHMSA-N 2 2 361.490 0.893 10 0 FCAELP CCC[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC001702709310 1285807416 /nfs/dbraw/zinc/80/74/16/1285807416.db2.gz UYQBWRFWHRUXRB-OAGGEKHMSA-N 2 2 361.490 0.893 10 0 FCAELP CC[NH+](CC)CC(=O)N1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@]2(C)C1 ZINC001702771477 1285850263 /nfs/dbraw/zinc/85/02/63/1285850263.db2.gz UZEPFHPNNPNZHX-APWZRJJASA-N 2 2 361.490 0.922 10 0 FCAELP CCN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001704286187 1286213943 /nfs/dbraw/zinc/21/39/43/1286213943.db2.gz DWHKIBHSWLKKDS-ARFHVFGLSA-N 2 2 361.490 0.830 10 0 FCAELP CCN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001704286187 1286213948 /nfs/dbraw/zinc/21/39/48/1286213948.db2.gz DWHKIBHSWLKKDS-ARFHVFGLSA-N 2 2 361.490 0.830 10 0 FCAELP Cc1cc(C)c(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)c(C)[nH+]1 ZINC001707110604 1286450075 /nfs/dbraw/zinc/45/00/75/1286450075.db2.gz HZNZNRAZOWGAOY-UONOGXRCSA-N 2 2 361.446 0.690 10 0 FCAELP C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@@H]1CCC[NH2+]CC(=O)NC(N)=O ZINC001707177274 1286492027 /nfs/dbraw/zinc/49/20/27/1286492027.db2.gz XGTCUDHPSFJDJM-ZIAGYGMSSA-N 2 2 364.450 0.075 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC001707256792 1287108985 /nfs/dbraw/zinc/10/89/85/1287108985.db2.gz SGATYPOVGGFLPA-PMPSAXMXSA-N 2 2 371.547 0.875 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC001707256792 1287108988 /nfs/dbraw/zinc/10/89/88/1287108988.db2.gz SGATYPOVGGFLPA-PMPSAXMXSA-N 2 2 371.547 0.875 10 0 FCAELP C[N@H+](CCO)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001707271349 1287132563 /nfs/dbraw/zinc/13/25/63/1287132563.db2.gz DHORZVICMUZMGZ-KSZLIROESA-N 2 2 369.506 0.171 10 0 FCAELP C[N@@H+](CCO)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001707271349 1287132566 /nfs/dbraw/zinc/13/25/66/1287132566.db2.gz DHORZVICMUZMGZ-KSZLIROESA-N 2 2 369.506 0.171 10 0 FCAELP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001736113602 1289154712 /nfs/dbraw/zinc/15/47/12/1289154712.db2.gz ZGTYIPWZCNEIAX-LSDHHAIUSA-N 2 2 359.474 0.839 10 0 FCAELP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001736113602 1289154717 /nfs/dbraw/zinc/15/47/17/1289154717.db2.gz ZGTYIPWZCNEIAX-LSDHHAIUSA-N 2 2 359.474 0.839 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CCN1C(=O)COCC[NH+](C)C ZINC001719623199 1288194530 /nfs/dbraw/zinc/19/45/30/1288194530.db2.gz NDPDFRHWYZEPGD-HIFRSBDPSA-N 2 2 351.451 0.026 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CCN1C(=O)COCC[NH+](C)C ZINC001719623199 1288194532 /nfs/dbraw/zinc/19/45/32/1288194532.db2.gz NDPDFRHWYZEPGD-HIFRSBDPSA-N 2 2 351.451 0.026 10 0 FCAELP O=C(NC[C@]1(O)CC[N@H+](CCOCC2CCC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001724401802 1288440496 /nfs/dbraw/zinc/44/04/96/1288440496.db2.gz MQEADTVOEIFATC-GPMSIDNRSA-N 2 2 362.474 0.883 10 0 FCAELP O=C(NC[C@]1(O)CC[N@@H+](CCOCC2CCC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001724401802 1288440505 /nfs/dbraw/zinc/44/05/05/1288440505.db2.gz MQEADTVOEIFATC-GPMSIDNRSA-N 2 2 362.474 0.883 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(CCO)CC[NH2+]C[C@@H]1CCCOC1 ZINC001724681288 1288448252 /nfs/dbraw/zinc/44/82/52/1288448252.db2.gz NVKWBAFUSHKDLO-ARFHVFGLSA-N 2 2 350.463 0.361 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2C[NH+](CC(=O)NCC3CC3)C2)CC[N@@H+]1C ZINC001725250186 1288462936 /nfs/dbraw/zinc/46/29/36/1288462936.db2.gz RVLVVUGHSAIDDU-XOKHGSTOSA-N 2 2 350.507 0.679 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2C[NH+](CC(=O)NCC3CC3)C2)CC[N@H+]1C ZINC001725250186 1288462945 /nfs/dbraw/zinc/46/29/45/1288462945.db2.gz RVLVVUGHSAIDDU-XOKHGSTOSA-N 2 2 350.507 0.679 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001725364126 1288467051 /nfs/dbraw/zinc/46/70/51/1288467051.db2.gz PNVKEZJYDANLGS-KBUPBQIOSA-N 2 2 361.490 0.923 10 0 FCAELP CCNC(=O)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001731421651 1288556478 /nfs/dbraw/zinc/55/64/78/1288556478.db2.gz MMXFOFOZMPUMCT-ARFHVFGLSA-N 2 2 361.490 0.830 10 0 FCAELP CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001731421651 1288556481 /nfs/dbraw/zinc/55/64/81/1288556481.db2.gz MMXFOFOZMPUMCT-ARFHVFGLSA-N 2 2 361.490 0.830 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](C[C@@H](C)CS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001732127971 1288576180 /nfs/dbraw/zinc/57/61/80/1288576180.db2.gz UZNXNRMXTIUPQR-VNQPRFMTSA-N 2 2 359.536 0.445 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](C[C@@H](C)CS(C)(=O)=O)C2)CC[N@H+]1C ZINC001732127971 1288576182 /nfs/dbraw/zinc/57/61/82/1288576182.db2.gz UZNXNRMXTIUPQR-VNQPRFMTSA-N 2 2 359.536 0.445 10 0 FCAELP CC(C)C[C@H](C[NH2+]Cc1nncn1C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001732469523 1288584351 /nfs/dbraw/zinc/58/43/51/1288584351.db2.gz CTMOMVSBPKIEMW-RBSFLKMASA-N 2 2 359.478 0.973 10 0 FCAELP C[C@H](C[NH2+]CC(=O)N(C)CC1CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001732441201 1288584582 /nfs/dbraw/zinc/58/45/82/1288584582.db2.gz UNSHUHQQRQFWIL-FVQBIDKESA-N 2 2 361.490 0.829 10 0 FCAELP C[C@H](CC[NH2+]CC(=O)Nc1cnccn1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001732700523 1288592312 /nfs/dbraw/zinc/59/23/12/1288592312.db2.gz FENCYUNSKRMCBO-JHJVBQTASA-N 2 2 357.418 0.426 10 0 FCAELP C[C@H](CC[NH2+]CC(=O)Nc1cnccn1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001732700523 1288592313 /nfs/dbraw/zinc/59/23/13/1288592313.db2.gz FENCYUNSKRMCBO-JHJVBQTASA-N 2 2 357.418 0.426 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@]2(CO)CCC[NH+](CC(=O)NC(C)(C)C)C2)CC[N@@H+]1C ZINC001733590179 1288622457 /nfs/dbraw/zinc/62/24/57/1288622457.db2.gz YAAPPILEXVXTIZ-SPYBWZPUSA-N 2 2 368.522 0.184 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@]2(CO)CCC[NH+](CC(=O)NC(C)(C)C)C2)CC[N@H+]1C ZINC001733590179 1288622461 /nfs/dbraw/zinc/62/24/61/1288622461.db2.gz YAAPPILEXVXTIZ-SPYBWZPUSA-N 2 2 368.522 0.184 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@]2(CO)CCC[N@H+](CC(=O)NC(C)(C)C)C2)CC[NH+]1C ZINC001733590179 1288622465 /nfs/dbraw/zinc/62/24/65/1288622465.db2.gz YAAPPILEXVXTIZ-SPYBWZPUSA-N 2 2 368.522 0.184 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@]2(CO)CCC[N@@H+](CC(=O)NC(C)(C)C)C2)CC[NH+]1C ZINC001733590179 1288622469 /nfs/dbraw/zinc/62/24/69/1288622469.db2.gz YAAPPILEXVXTIZ-SPYBWZPUSA-N 2 2 368.522 0.184 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2cnnn2C)C1 ZINC001733664555 1288624196 /nfs/dbraw/zinc/62/41/96/1288624196.db2.gz CIVZMAFKTSGTHN-FVQBIDKESA-N 2 2 357.462 0.681 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2nnc(-c3ccco3)o2)CC[N@@H+]1C ZINC001734366546 1288651450 /nfs/dbraw/zinc/65/14/50/1288651450.db2.gz RDVQILOQFKRZQQ-JHJVBQTASA-N 2 2 363.418 0.237 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2nnc(-c3ccco3)o2)CC[N@H+]1C ZINC001734366546 1288651451 /nfs/dbraw/zinc/65/14/51/1288651451.db2.gz RDVQILOQFKRZQQ-JHJVBQTASA-N 2 2 363.418 0.237 10 0 FCAELP O=C(CCCn1cc[nH+]c1)N1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001735709882 1288784801 /nfs/dbraw/zinc/78/48/01/1288784801.db2.gz OLNVZZDAXHSFNX-DLBZAZTESA-N 2 2 359.474 0.818 10 0 FCAELP CC[NH+](CC)CC(=O)N1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001736275612 1289235421 /nfs/dbraw/zinc/23/54/21/1289235421.db2.gz MFJJPSXQOKFBBU-VYDXJSESSA-N 2 2 361.490 0.893 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@](CO)([NH2+]Cc3cnon3)C2)CC[N@@H+]1C ZINC001700232321 1289588620 /nfs/dbraw/zinc/58/86/20/1289588620.db2.gz GLSHGYVNKNUKNO-ZMSDIMECSA-N 2 2 351.451 0.243 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@](CO)([NH2+]Cc3cnon3)C2)CC[N@H+]1C ZINC001700232321 1289588626 /nfs/dbraw/zinc/58/86/26/1289588626.db2.gz GLSHGYVNKNUKNO-ZMSDIMECSA-N 2 2 351.451 0.243 10 0 FCAELP Cc1noc([C@@H](C)[N@H+](C)CCOCCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)n1 ZINC001700700957 1289604138 /nfs/dbraw/zinc/60/41/38/1289604138.db2.gz CJIAWBISYKEMAV-UMVBOHGHSA-N 2 2 353.467 0.844 10 0 FCAELP Cc1noc([C@@H](C)[N@@H+](C)CCOCCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)n1 ZINC001700700957 1289604153 /nfs/dbraw/zinc/60/41/53/1289604153.db2.gz CJIAWBISYKEMAV-UMVBOHGHSA-N 2 2 353.467 0.844 10 0 FCAELP Cc1noc([C@@H](C)[NH+](C)CCOCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001700700957 1289604166 /nfs/dbraw/zinc/60/41/66/1289604166.db2.gz CJIAWBISYKEMAV-UMVBOHGHSA-N 2 2 353.467 0.844 10 0 FCAELP Cc1noc([C@@H](C)[NH+](C)CCOCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001700700957 1289604178 /nfs/dbraw/zinc/60/41/78/1289604178.db2.gz CJIAWBISYKEMAV-UMVBOHGHSA-N 2 2 353.467 0.844 10 0 FCAELP C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]Cc1cc(=O)n2nccc2[nH]1 ZINC001700754098 1289605766 /nfs/dbraw/zinc/60/57/66/1289605766.db2.gz MIUASGCHDPBDFX-IACUBPJLSA-N 2 2 369.429 0.486 10 0 FCAELP CCC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001739422616 1289953494 /nfs/dbraw/zinc/95/34/94/1289953494.db2.gz SWCGNIDGYUFCDU-BZUAXINKSA-N 2 2 365.478 0.254 10 0 FCAELP CCC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001739422616 1289953503 /nfs/dbraw/zinc/95/35/03/1289953503.db2.gz SWCGNIDGYUFCDU-BZUAXINKSA-N 2 2 365.478 0.254 10 0 FCAELP Cn1c[nH+]cc1[C@H](CO)NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC001630598909 1290679815 /nfs/dbraw/zinc/67/98/15/1290679815.db2.gz JLGXUGYAZJBVOB-AWEZNQCLSA-N 2 2 372.429 0.500 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CC(C(=O)OC(C)(C)C)=NO1 ZINC001645218928 1291010065 /nfs/dbraw/zinc/01/00/65/1291010065.db2.gz GXVBVNLJSBBITH-CQSZACIVSA-N 2 2 356.467 0.473 10 0 FCAELP 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CC(C)CNC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001656368911 1291516551 /nfs/dbraw/zinc/51/65/51/1291516551.db2.gz BQELHFLMQIFLQA-OWCLPIDISA-N 2 2 363.506 0.998 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC(C3CC3)C3CC3)C2)CC[N@@H+]1C ZINC001665462808 1291861475 /nfs/dbraw/zinc/86/14/75/1291861475.db2.gz HWJYORAZDULQCC-XOKHGSTOSA-N 2 2 362.518 0.822 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC(C3CC3)C3CC3)C2)CC[N@H+]1C ZINC001665462808 1291861490 /nfs/dbraw/zinc/86/14/90/1291861490.db2.gz HWJYORAZDULQCC-XOKHGSTOSA-N 2 2 362.518 0.822 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)NC(C3CC3)C3CC3)C2)CC[NH+]1C ZINC001665462808 1291861502 /nfs/dbraw/zinc/86/15/02/1291861502.db2.gz HWJYORAZDULQCC-XOKHGSTOSA-N 2 2 362.518 0.822 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(C3CC3)C3CC3)C2)CC[NH+]1C ZINC001665462808 1291861516 /nfs/dbraw/zinc/86/15/16/1291861516.db2.gz HWJYORAZDULQCC-XOKHGSTOSA-N 2 2 362.518 0.822 10 0 FCAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C[NH2+]Cc1nc(N(C)C)no1 ZINC001666621228 1291915452 /nfs/dbraw/zinc/91/54/52/1291915452.db2.gz XBNURXLDHSGGLZ-YNEHKIRRSA-N 2 2 361.450 0.515 10 0 FCAELP C[C@H](C[N@H+](C)CC1CCS(=O)(=O)CC1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001669826505 1292004769 /nfs/dbraw/zinc/00/47/69/1292004769.db2.gz LAKZLUVVNQTDJY-BPLDGKMQSA-N 2 2 368.503 0.775 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CCn1cncn1 ZINC001674480627 1292143731 /nfs/dbraw/zinc/14/37/31/1292143731.db2.gz JARIPWYSNHDZFO-BZUAXINKSA-N 2 2 357.462 0.738 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CCn1cncn1 ZINC001674480627 1292143736 /nfs/dbraw/zinc/14/37/36/1292143736.db2.gz JARIPWYSNHDZFO-BZUAXINKSA-N 2 2 357.462 0.738 10 0 FCAELP COCCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001677414629 1292234290 /nfs/dbraw/zinc/23/42/90/1292234290.db2.gz HKDDAKDALISBGC-HIEASXQVSA-N 2 2 369.506 0.482 10 0 FCAELP CC[NH+](CC)CC(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001679141946 1292294845 /nfs/dbraw/zinc/29/48/45/1292294845.db2.gz PLWNIEZZKQHIIQ-KLHDSHLOSA-N 2 2 361.490 0.876 10 0 FCAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001686228797 1292841167 /nfs/dbraw/zinc/84/11/67/1292841167.db2.gz GJICOEKTTPHVKB-SIXLDLHFSA-N 2 2 359.474 0.695 10 0 FCAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCC[N@H+]1C ZINC001686228797 1292841181 /nfs/dbraw/zinc/84/11/81/1292841181.db2.gz GJICOEKTTPHVKB-SIXLDLHFSA-N 2 2 359.474 0.695 10 0 FCAELP C[C@@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2[nH+]ccn2C)C3)C1 ZINC001686229122 1292842316 /nfs/dbraw/zinc/84/23/16/1292842316.db2.gz TWXHLRBKRLMZDF-VQHPVUNQSA-N 2 2 373.501 0.943 10 0 FCAELP C[C@@H]1CC[N@@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2[nH+]ccn2C)C3)C1 ZINC001686229122 1292842326 /nfs/dbraw/zinc/84/23/26/1292842326.db2.gz TWXHLRBKRLMZDF-VQHPVUNQSA-N 2 2 373.501 0.943 10 0 FCAELP CC[C@@H]1C[C@H]1C(=O)NCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001687874943 1293022539 /nfs/dbraw/zinc/02/25/39/1293022539.db2.gz VVLSPGVYRIANLF-BRWVUGGUSA-N 2 2 350.507 0.777 10 0 FCAELP CC[C@@H]1C[C@H]1C(=O)NCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001687874943 1293022543 /nfs/dbraw/zinc/02/25/43/1293022543.db2.gz VVLSPGVYRIANLF-BRWVUGGUSA-N 2 2 350.507 0.777 10 0 FCAELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNS(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000694894514 836098070 /nfs/dbraw/zinc/09/80/70/836098070.db2.gz QEGFRFURLGYFBH-MSOLQXFVSA-N 2 2 366.531 0.474 10 0 FCAELP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNS(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000694894514 836098081 /nfs/dbraw/zinc/09/80/81/836098081.db2.gz QEGFRFURLGYFBH-MSOLQXFVSA-N 2 2 366.531 0.474 10 0 FCAELP CN(CCC[NH2+]C[C@H]1CCCS(=O)(=O)C1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001276058044 861307769 /nfs/dbraw/zinc/30/77/69/861307769.db2.gz OMARVWASEALZIW-RBSFLKMASA-N 2 2 368.503 0.776 10 0 FCAELP CN(CCC[NH2+]C[C@H]1CCCS(=O)(=O)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001276058044 861307788 /nfs/dbraw/zinc/30/77/88/861307788.db2.gz OMARVWASEALZIW-RBSFLKMASA-N 2 2 368.503 0.776 10 0 FCAELP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC001123705289 848627311 /nfs/dbraw/zinc/62/73/11/848627311.db2.gz LNRZJCLMFMKOIG-GVDBMIGSSA-N 2 2 354.495 0.317 10 0 FCAELP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC001123705289 848627317 /nfs/dbraw/zinc/62/73/17/848627317.db2.gz LNRZJCLMFMKOIG-GVDBMIGSSA-N 2 2 354.495 0.317 10 0 FCAELP CCc1noc([C@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001279718034 863021933 /nfs/dbraw/zinc/02/19/33/863021933.db2.gz QSOULAFPVBBMMK-BFHYXJOUSA-N 2 2 353.467 0.444 10 0 FCAELP CCc1noc([C@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001279718034 863021941 /nfs/dbraw/zinc/02/19/41/863021941.db2.gz QSOULAFPVBBMMK-BFHYXJOUSA-N 2 2 353.467 0.444 10 0 FCAELP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC001261890315 858701330 /nfs/dbraw/zinc/70/13/30/858701330.db2.gz AXUPIPPEKIOJLK-USWWRNFRSA-N 2 2 350.385 0.168 10 0 FCAELP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC001261890315 858701333 /nfs/dbraw/zinc/70/13/33/858701333.db2.gz AXUPIPPEKIOJLK-USWWRNFRSA-N 2 2 350.385 0.168 10 0 FCAELP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C)n1 ZINC001264301653 859348570 /nfs/dbraw/zinc/34/85/70/859348570.db2.gz YYAQGJLIGFCHDY-ZIAGYGMSSA-N 2 2 353.467 0.535 10 0 FCAELP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C)n1 ZINC001264301653 859348576 /nfs/dbraw/zinc/34/85/76/859348576.db2.gz YYAQGJLIGFCHDY-ZIAGYGMSSA-N 2 2 353.467 0.535 10 0 FCAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001264488568 859366387 /nfs/dbraw/zinc/36/63/87/859366387.db2.gz WIGHOGCJCWLZPN-UONOGXRCSA-N 2 2 371.507 0.027 10 0 FCAELP CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001264731130 859444835 /nfs/dbraw/zinc/44/48/35/859444835.db2.gz DIOMMEAHKPLWSY-OAGGEKHMSA-N 2 2 354.495 0.058 10 0 FCAELP CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001264731130 859444839 /nfs/dbraw/zinc/44/48/39/859444839.db2.gz DIOMMEAHKPLWSY-OAGGEKHMSA-N 2 2 354.495 0.058 10 0 FCAELP Cc1cc(C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)nn1C ZINC001284493752 864569448 /nfs/dbraw/zinc/56/94/48/864569448.db2.gz VQWSIZJKVCCFRR-DJIMGWMZSA-N 2 2 351.495 0.320 10 0 FCAELP Cc1cc(C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)nn1C ZINC001284493752 864569453 /nfs/dbraw/zinc/56/94/53/864569453.db2.gz VQWSIZJKVCCFRR-DJIMGWMZSA-N 2 2 351.495 0.320 10 0 FCAELP Cc1cc(C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)nn1C ZINC001284493752 864569460 /nfs/dbraw/zinc/56/94/60/864569460.db2.gz VQWSIZJKVCCFRR-DJIMGWMZSA-N 2 2 351.495 0.320 10 0 FCAELP Cc1cc(C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)nn1C ZINC001284493752 864569465 /nfs/dbraw/zinc/56/94/65/864569465.db2.gz VQWSIZJKVCCFRR-DJIMGWMZSA-N 2 2 351.495 0.320 10 0 FCAELP CS(=O)(=O)CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001316629160 867367011 /nfs/dbraw/zinc/36/70/11/867367011.db2.gz DHDFXIISFUSDBU-AAVRWANBSA-N 2 2 354.476 0.432 10 0 FCAELP CS(=O)(=O)CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001316629160 867367029 /nfs/dbraw/zinc/36/70/29/867367029.db2.gz DHDFXIISFUSDBU-AAVRWANBSA-N 2 2 354.476 0.432 10 0 FCAELP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H]1C ZINC001316787133 867481303 /nfs/dbraw/zinc/48/13/03/867481303.db2.gz RMYINGNWUXDDNT-CABCVRRESA-N 2 2 354.495 0.060 10 0 FCAELP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H]1C ZINC001316787133 867481314 /nfs/dbraw/zinc/48/13/14/867481314.db2.gz RMYINGNWUXDDNT-CABCVRRESA-N 2 2 354.495 0.060 10 0 FCAELP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1CC[N@H+](CCOCCO)C1 ZINC001318483735 867677120 /nfs/dbraw/zinc/67/71/20/867677120.db2.gz SRBGAUHIBHRXII-BZUAXINKSA-N 2 2 350.463 0.455 10 0 FCAELP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1CC[N@@H+](CCOCCO)C1 ZINC001318483735 867677131 /nfs/dbraw/zinc/67/71/31/867677131.db2.gz SRBGAUHIBHRXII-BZUAXINKSA-N 2 2 350.463 0.455 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2nc(C3CCC3)no2)CC[N@@H+]1C ZINC001320233586 868117187 /nfs/dbraw/zinc/11/71/87/868117187.db2.gz RZVPDRMYEYMGFP-MRVWCRGKSA-N 2 2 351.451 0.244 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2nc(C3CCC3)no2)CC[N@H+]1C ZINC001320233586 868117193 /nfs/dbraw/zinc/11/71/93/868117193.db2.gz RZVPDRMYEYMGFP-MRVWCRGKSA-N 2 2 351.451 0.244 10 0 FCAELP O=C(NCC1([NH2+]CC2CCS(=O)(=O)CC2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001323468961 869205543 /nfs/dbraw/zinc/20/55/43/869205543.db2.gz STDYDVWQHKIPFR-ZIAGYGMSSA-N 2 2 366.487 0.576 10 0 FCAELP O=C(NCC1([NH2+]CC2CCS(=O)(=O)CC2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001323468961 869205555 /nfs/dbraw/zinc/20/55/55/869205555.db2.gz STDYDVWQHKIPFR-ZIAGYGMSSA-N 2 2 366.487 0.576 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC2(CCO)C[NH+](CCOC3CCC3)C2)CC[N@@H+]1C ZINC001329666433 872165486 /nfs/dbraw/zinc/16/54/86/872165486.db2.gz CSXBAWKEPISHIX-DLBZAZTESA-N 2 2 353.507 0.839 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC2(CCO)C[NH+](CCOC3CCC3)C2)CC[N@H+]1C ZINC001329666433 872165490 /nfs/dbraw/zinc/16/54/90/872165490.db2.gz CSXBAWKEPISHIX-DLBZAZTESA-N 2 2 353.507 0.839 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC001331916274 873302060 /nfs/dbraw/zinc/30/20/60/873302060.db2.gz OLQRPDRWZYBOSB-HZPDHXFCSA-N 2 2 350.467 0.072 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC001331916274 873302077 /nfs/dbraw/zinc/30/20/77/873302077.db2.gz OLQRPDRWZYBOSB-HZPDHXFCSA-N 2 2 350.467 0.072 10 0 FCAELP C[C@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)CC(F)F ZINC001332358120 873474972 /nfs/dbraw/zinc/47/49/72/873474972.db2.gz XPOINIYAGYMMEA-ZDUSSCGKSA-N 2 2 362.465 0.878 10 0 FCAELP C[C@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)CC(F)F ZINC001332358120 873474978 /nfs/dbraw/zinc/47/49/78/873474978.db2.gz XPOINIYAGYMMEA-ZDUSSCGKSA-N 2 2 362.465 0.878 10 0 FCAELP CC[NH+]1CCC(NC(=O)C[N@H+](C)Cc2c[nH]c(C)c(OC)c2=O)CC1 ZINC001333225476 873862899 /nfs/dbraw/zinc/86/28/99/873862899.db2.gz NXEHLNRUESHDFH-UHFFFAOYSA-N 2 2 350.463 0.724 10 0 FCAELP CC[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2c[nH]c(C)c(OC)c2=O)CC1 ZINC001333225476 873862907 /nfs/dbraw/zinc/86/29/07/873862907.db2.gz NXEHLNRUESHDFH-UHFFFAOYSA-N 2 2 350.463 0.724 10 0 FCAELP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292099398 214076503 /nfs/dbraw/zinc/07/65/03/214076503.db2.gz HRNVYJOTALJZEZ-GUYCJALGSA-N 2 2 366.487 0.689 10 0 FCAELP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292099398 214076506 /nfs/dbraw/zinc/07/65/06/214076506.db2.gz HRNVYJOTALJZEZ-GUYCJALGSA-N 2 2 366.487 0.689 10 0 FCAELP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292099398 214076508 /nfs/dbraw/zinc/07/65/08/214076508.db2.gz HRNVYJOTALJZEZ-GUYCJALGSA-N 2 2 366.487 0.689 10 0 FCAELP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292099398 214076512 /nfs/dbraw/zinc/07/65/12/214076512.db2.gz HRNVYJOTALJZEZ-GUYCJALGSA-N 2 2 366.487 0.689 10 0 FCAELP CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccc2c(c1)C[NH+](CC(N)=O)CC2 ZINC000333025881 215225397 /nfs/dbraw/zinc/22/53/97/215225397.db2.gz KSRTVYRBAAAHHI-QGZVFWFLSA-N 2 2 374.489 0.947 10 0 FCAELP CN1CC[N@@H+](C)C[C@H]1CNC(=O)Nc1ccc2c(c1)C[NH+](CC(N)=O)CC2 ZINC000333025881 215225401 /nfs/dbraw/zinc/22/54/01/215225401.db2.gz KSRTVYRBAAAHHI-QGZVFWFLSA-N 2 2 374.489 0.947 10 0 FCAELP CN1CC[NH+](C)C[C@H]1CNC(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000333025881 215225404 /nfs/dbraw/zinc/22/54/04/215225404.db2.gz KSRTVYRBAAAHHI-QGZVFWFLSA-N 2 2 374.489 0.947 10 0 FCAELP CN1CC[NH+](C)C[C@H]1CNC(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000333025881 215225408 /nfs/dbraw/zinc/22/54/08/215225408.db2.gz KSRTVYRBAAAHHI-QGZVFWFLSA-N 2 2 374.489 0.947 10 0 FCAELP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000333274889 215257660 /nfs/dbraw/zinc/25/76/60/215257660.db2.gz LEAKLICUEZZARX-CTWPCTMYSA-N 2 2 364.534 0.820 10 0 FCAELP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000333274889 215257663 /nfs/dbraw/zinc/25/76/63/215257663.db2.gz LEAKLICUEZZARX-CTWPCTMYSA-N 2 2 364.534 0.820 10 0 FCAELP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000333462502 215285388 /nfs/dbraw/zinc/28/53/88/215285388.db2.gz UWUNSPZUKHECPF-CQSZACIVSA-N 2 2 354.476 0.636 10 0 FCAELP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC000333462502 215285391 /nfs/dbraw/zinc/28/53/91/215285391.db2.gz UWUNSPZUKHECPF-CQSZACIVSA-N 2 2 354.476 0.636 10 0 FCAELP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000333729657 215313719 /nfs/dbraw/zinc/31/37/19/215313719.db2.gz VWQURTMFJRICIL-IXDOHACOSA-N 2 2 365.522 0.713 10 0 FCAELP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333898964 215329232 /nfs/dbraw/zinc/32/92/32/215329232.db2.gz ZMPDGLUMYMIVAF-HZPDHXFCSA-N 2 2 351.495 0.467 10 0 FCAELP CN(Cc1[nH+]ccn1C)C(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000285290993 213318844 /nfs/dbraw/zinc/31/88/44/213318844.db2.gz VJZKAFGBSZUHHR-INIZCTEOSA-N 2 2 357.458 0.668 10 0 FCAELP CC[NH+](CC)CCCNC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000284855781 213234160 /nfs/dbraw/zinc/23/41/60/213234160.db2.gz KCMKWDVMIHDDTH-UHFFFAOYSA-N 2 2 358.446 0.732 10 0 FCAELP C[C@H]1C[C@H](NC(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2)C[N@@H+]1C1CC1 ZINC000284781796 213217741 /nfs/dbraw/zinc/21/77/41/213217741.db2.gz FMPGPBTTZHQCQO-ZFWWWQNUSA-N 2 2 368.441 0.625 10 0 FCAELP C[C@H]1C[C@H](NC(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2)C[N@H+]1C1CC1 ZINC000284781796 213217742 /nfs/dbraw/zinc/21/77/42/213217742.db2.gz FMPGPBTTZHQCQO-ZFWWWQNUSA-N 2 2 368.441 0.625 10 0 FCAELP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1)c1ccsc1 ZINC000284345100 213116967 /nfs/dbraw/zinc/11/69/67/213116967.db2.gz RMWSKQIBABXDJS-HNNXBMFYSA-N 2 2 350.488 0.774 10 0 FCAELP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000284085515 213071414 /nfs/dbraw/zinc/07/14/14/213071414.db2.gz VKSNXMOXVKAOPU-DOTOQJQBSA-N 2 2 357.458 0.677 10 0 FCAELP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366585832 216000652 /nfs/dbraw/zinc/00/06/52/216000652.db2.gz NNEJPRHGZVNRCD-FQEVSTJZSA-N 2 2 372.513 0.737 10 0 FCAELP O=C(C[N@H+]1C[C@H](O)C2(CC2)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000366638524 216009266 /nfs/dbraw/zinc/00/92/66/216009266.db2.gz FGMLATYEFBESCL-INIZCTEOSA-N 2 2 351.491 0.594 10 0 FCAELP O=C(C[N@@H+]1C[C@H](O)C2(CC2)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000366638524 216009269 /nfs/dbraw/zinc/00/92/69/216009269.db2.gz FGMLATYEFBESCL-INIZCTEOSA-N 2 2 351.491 0.594 10 0 FCAELP C[C@H](O)[C@@H]1C[NH+](Cc2ccc(C[N@@H+]3CCO[C@H]([C@H](C)O)C3)cc2)CCO1 ZINC000412098926 237164960 /nfs/dbraw/zinc/16/49/60/237164960.db2.gz USZQGEBKOGCETM-FVCZOJIISA-N 2 2 364.486 0.850 10 0 FCAELP C[C@H](O)[C@@H]1C[NH+](Cc2ccc(C[N@H+]3CCO[C@H]([C@H](C)O)C3)cc2)CCO1 ZINC000412098926 237164965 /nfs/dbraw/zinc/16/49/65/237164965.db2.gz USZQGEBKOGCETM-FVCZOJIISA-N 2 2 364.486 0.850 10 0 FCAELP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000246338326 209385540 /nfs/dbraw/zinc/38/55/40/209385540.db2.gz OSDUFRAYQMCBAV-IRXDYDNUSA-N 2 2 354.495 0.603 10 0 FCAELP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000246338326 209385542 /nfs/dbraw/zinc/38/55/42/209385542.db2.gz OSDUFRAYQMCBAV-IRXDYDNUSA-N 2 2 354.495 0.603 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)CC1 ZINC000246198037 209382068 /nfs/dbraw/zinc/38/20/68/209382068.db2.gz AJCKXEPHTDGMQQ-RTBURBONSA-N 3 2 365.566 0.641 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)CC1 ZINC000246198037 209382071 /nfs/dbraw/zinc/38/20/71/209382071.db2.gz AJCKXEPHTDGMQQ-RTBURBONSA-N 3 2 365.566 0.641 10 0 FCAELP CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)CC1 ZINC000246198037 209382076 /nfs/dbraw/zinc/38/20/76/209382076.db2.gz AJCKXEPHTDGMQQ-RTBURBONSA-N 2 2 365.566 0.641 10 0 FCAELP CCN1CCN(C(=O)[C@@H](C)[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)CC1 ZINC000246198037 209382078 /nfs/dbraw/zinc/38/20/78/209382078.db2.gz AJCKXEPHTDGMQQ-RTBURBONSA-N 2 2 365.566 0.641 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000246200859 209381309 /nfs/dbraw/zinc/38/13/09/209381309.db2.gz VWTKBXLVWGEILF-ZWKOTPCHSA-N 3 2 354.539 0.733 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000246200859 209381313 /nfs/dbraw/zinc/38/13/13/209381313.db2.gz VWTKBXLVWGEILF-ZWKOTPCHSA-N 3 2 354.539 0.733 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000246200859 209381317 /nfs/dbraw/zinc/38/13/17/209381317.db2.gz VWTKBXLVWGEILF-ZWKOTPCHSA-N 3 2 354.539 0.733 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000246200859 209381306 /nfs/dbraw/zinc/38/13/06/209381306.db2.gz VWTKBXLVWGEILF-ZWKOTPCHSA-N 3 2 354.539 0.733 10 0 FCAELP O=C1C[C@H]([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)CN1CC[NH+]1CCOCC1 ZINC000194105038 209323625 /nfs/dbraw/zinc/32/36/25/209323625.db2.gz ZCWVWOSMIRMYBP-OGWHTMIXSA-N 2 2 363.502 0.857 10 0 FCAELP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)n1 ZINC000190750112 209276765 /nfs/dbraw/zinc/27/67/65/209276765.db2.gz SMIKSLLCMHHKNR-AWEZNQCLSA-N 2 2 359.434 0.271 10 0 FCAELP C[C@@H](O)CN(C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[C@@H](C)CO ZINC000190618648 209275737 /nfs/dbraw/zinc/27/57/37/209275737.db2.gz YBKREDMPPASTCY-DLBZAZTESA-N 2 2 370.538 0.710 10 0 FCAELP C[NH+](C)Cc1ccc(N2CCN(C(=O)c3n[nH]c4c3C[NH2+]CC4)CC2)nc1 ZINC000188900351 209241029 /nfs/dbraw/zinc/24/10/29/209241029.db2.gz JLANKYFBESREJF-UHFFFAOYSA-N 2 2 369.473 0.474 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)C1 ZINC000931430704 674114610 /nfs/dbraw/zinc/11/46/10/674114610.db2.gz QNXUMHCPPDAAKO-KSZLIROESA-N 3 2 352.523 0.343 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)C1 ZINC000931430704 674114611 /nfs/dbraw/zinc/11/46/11/674114611.db2.gz QNXUMHCPPDAAKO-KSZLIROESA-N 3 2 352.523 0.343 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)C1 ZINC000931430704 674114613 /nfs/dbraw/zinc/11/46/13/674114613.db2.gz QNXUMHCPPDAAKO-KSZLIROESA-N 3 2 352.523 0.343 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)C1 ZINC000931430704 674114615 /nfs/dbraw/zinc/11/46/15/674114615.db2.gz QNXUMHCPPDAAKO-KSZLIROESA-N 3 2 352.523 0.343 10 0 FCAELP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)c1 ZINC000415071236 245347390 /nfs/dbraw/zinc/34/73/90/245347390.db2.gz WEIACEFMHZGZJO-UHFFFAOYSA-N 2 2 368.441 0.792 10 0 FCAELP O=C(Nc1ccc2c(c1)C[NH2+]C2)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000415127819 245350700 /nfs/dbraw/zinc/35/07/00/245350700.db2.gz RQSGMVFNGKUVDS-SFHVURJKSA-N 2 2 372.469 0.942 10 0 FCAELP O=C(CC[N@@H+]1CCO[C@]2(CCOC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000185157193 209172640 /nfs/dbraw/zinc/17/26/40/209172640.db2.gz YWEVQEMGKPQOIZ-LJQANCHMSA-N 2 2 360.458 0.612 10 0 FCAELP O=C(CC[N@H+]1CCO[C@]2(CCOC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000185157193 209172643 /nfs/dbraw/zinc/17/26/43/209172643.db2.gz YWEVQEMGKPQOIZ-LJQANCHMSA-N 2 2 360.458 0.612 10 0 FCAELP Cc1nc(N2CC[NH+](C[C@H]3CCCN(S(C)(=O)=O)C3)CC2)cc[nH+]1 ZINC000183769069 209152030 /nfs/dbraw/zinc/15/20/30/209152030.db2.gz RQTHDEFFRBBCFV-OAHLLOKOSA-N 2 2 353.492 0.579 10 0 FCAELP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000375505938 217276389 /nfs/dbraw/zinc/27/63/89/217276389.db2.gz IRWOOLZIQSSHHM-UHFFFAOYSA-N 2 2 373.457 0.432 10 0 FCAELP CC[C@@H]1C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@]2(CCOC2)O1 ZINC000376019604 217345430 /nfs/dbraw/zinc/34/54/30/217345430.db2.gz BKYYEQYNOQKXJV-MJGOQNOKSA-N 2 2 361.490 0.998 10 0 FCAELP CC[C@@H]1C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@]2(CCOC2)O1 ZINC000376019604 217345432 /nfs/dbraw/zinc/34/54/32/217345432.db2.gz BKYYEQYNOQKXJV-MJGOQNOKSA-N 2 2 361.490 0.998 10 0 FCAELP CCN1CCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1=O ZINC000376297022 217381469 /nfs/dbraw/zinc/38/14/69/217381469.db2.gz VWZASSRNMAASAX-UHFFFAOYSA-N 2 2 365.522 0.810 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCO[C@@]4(CCCOC4)C3)C2)CC1 ZINC000376344106 217387611 /nfs/dbraw/zinc/38/76/11/217387611.db2.gz OAQDNYMKRMDUJL-APWZRJJASA-N 2 2 366.506 0.746 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCO[C@@]4(CCCOC4)C3)C2)CC1 ZINC000376344106 217387615 /nfs/dbraw/zinc/38/76/15/217387615.db2.gz OAQDNYMKRMDUJL-APWZRJJASA-N 2 2 366.506 0.746 10 0 FCAELP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000419327876 246101727 /nfs/dbraw/zinc/10/17/27/246101727.db2.gz NYLWTPQXSYVHPF-RTBURBONSA-N 2 2 374.529 0.718 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000419327876 246101730 /nfs/dbraw/zinc/10/17/30/246101730.db2.gz NYLWTPQXSYVHPF-RTBURBONSA-N 2 2 374.529 0.718 10 0 FCAELP C[NH+](C)[C@@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccsc1 ZINC000419419528 246152319 /nfs/dbraw/zinc/15/23/19/246152319.db2.gz ZDPNBUYCLHJUBT-ZNMIVQPWSA-N 2 2 350.488 0.820 10 0 FCAELP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000419652680 246230225 /nfs/dbraw/zinc/23/02/25/246230225.db2.gz XWFGSZDHUVJHST-QGZVFWFLSA-N 2 2 355.442 0.758 10 0 FCAELP [NH3+][C@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000419712355 246262845 /nfs/dbraw/zinc/26/28/45/246262845.db2.gz PDBORYVIZPWWRQ-ZDUSSCGKSA-N 2 2 350.850 0.374 10 0 FCAELP [NH3+][C@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000419712355 246262849 /nfs/dbraw/zinc/26/28/49/246262849.db2.gz PDBORYVIZPWWRQ-ZDUSSCGKSA-N 2 2 350.850 0.374 10 0 FCAELP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCCCCC1 ZINC000419733027 246275457 /nfs/dbraw/zinc/27/54/57/246275457.db2.gz UEAUARFATHPNRB-OAHLLOKOSA-N 2 2 359.474 0.944 10 0 FCAELP O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000419954501 246385644 /nfs/dbraw/zinc/38/56/44/246385644.db2.gz RCXHQPFMHIDVCK-CQSZACIVSA-N 2 2 350.488 0.651 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCCC3)CC2)cc[nH+]1 ZINC000419961009 246390019 /nfs/dbraw/zinc/39/00/19/246390019.db2.gz FQAIXNCADNYERJ-MRXNPFEDSA-N 2 2 374.489 0.457 10 0 FCAELP O=C(C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000423394700 247020717 /nfs/dbraw/zinc/02/07/17/247020717.db2.gz ZYMFVCJNBYUXPR-VQIMIIECSA-N 2 2 358.442 0.663 10 0 FCAELP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000423396024 247020851 /nfs/dbraw/zinc/02/08/51/247020851.db2.gz SXLATSCDSDDMGS-OAGGEKHMSA-N 2 2 359.474 0.554 10 0 FCAELP O=C(C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423577183 247060099 /nfs/dbraw/zinc/06/00/99/247060099.db2.gz GIUOOPUGIAIJIL-OAGGEKHMSA-N 2 2 371.485 0.603 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC[NH2+]1 ZINC000423582401 247062523 /nfs/dbraw/zinc/06/25/23/247062523.db2.gz XGTORXIHKBETNF-GJZGRUSLSA-N 2 2 359.474 0.746 10 0 FCAELP C[NH2+]C1CCN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000423609590 247074064 /nfs/dbraw/zinc/07/40/64/247074064.db2.gz MCJQQRHIPIWDJP-MRXNPFEDSA-N 2 2 358.486 0.930 10 0 FCAELP C[NH2+]C1CCN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000423609590 247074070 /nfs/dbraw/zinc/07/40/70/247074070.db2.gz MCJQQRHIPIWDJP-MRXNPFEDSA-N 2 2 358.486 0.930 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N3CCC[C@@H](C)[C@H]3C[NH3+])CC2)cc[nH+]1 ZINC000423729518 247131364 /nfs/dbraw/zinc/13/13/64/247131364.db2.gz KKUGKQATXYNRMC-UKRRQHHQSA-N 2 2 360.462 0.019 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)Nc1cncc(N[C@@H](C)C[NH+]2CCOCC2)n1 ZINC000439096580 248109851 /nfs/dbraw/zinc/10/98/51/248109851.db2.gz FXGSJLYZHHWJAD-HOTGVXAUSA-N 2 2 364.494 0.742 10 0 FCAELP C[C@H](O)C[N@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@@H](C)CO ZINC000443335936 248321274 /nfs/dbraw/zinc/32/12/74/248321274.db2.gz XBFCTBRBYRIZAN-BZSNNMDCSA-N 2 2 363.502 0.955 10 0 FCAELP C[C@H](O)C[N@@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@@H](C)CO ZINC000443335936 248321275 /nfs/dbraw/zinc/32/12/75/248321275.db2.gz XBFCTBRBYRIZAN-BZSNNMDCSA-N 2 2 363.502 0.955 10 0 FCAELP NC(=O)N[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000270663106 211242827 /nfs/dbraw/zinc/24/28/27/211242827.db2.gz QUYBCJGDLHWFFX-QGZVFWFLSA-N 2 2 359.474 0.641 10 0 FCAELP NC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000270663106 211242832 /nfs/dbraw/zinc/24/28/32/211242832.db2.gz QUYBCJGDLHWFFX-QGZVFWFLSA-N 2 2 359.474 0.641 10 0 FCAELP 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0.928 10 0 FCAELP O=C(C[N@H+]1CCC[C@H](Cn2cncn2)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000106172543 208217384 /nfs/dbraw/zinc/21/73/84/208217384.db2.gz HETCYEAZAHEIBV-KRWDZBQOSA-N 2 2 372.473 0.928 10 0 FCAELP C[C@@H](CNC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)[NH+]1CCOCC1 ZINC000108552200 208247605 /nfs/dbraw/zinc/24/76/05/208247605.db2.gz PTOVTKHQESEHIT-ROUUACIJSA-N 2 2 367.538 0.519 10 0 FCAELP C[C@@H](CNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)[NH+]1CCOCC1 ZINC000108552200 208247611 /nfs/dbraw/zinc/24/76/11/208247611.db2.gz PTOVTKHQESEHIT-ROUUACIJSA-N 2 2 367.538 0.519 10 0 FCAELP Cn1cc(C[N@@H+]2CCCN(C(=O)NCCC[NH+]3CCOCC3)CC2)cn1 ZINC000115781498 208326101 /nfs/dbraw/zinc/32/61/01/208326101.db2.gz LOTSROZKUGPWHG-UHFFFAOYSA-N 2 2 364.494 0.360 10 0 FCAELP Cn1cc(C[N@H+]2CCCN(C(=O)NCCC[NH+]3CCOCC3)CC2)cn1 ZINC000115781498 208326107 /nfs/dbraw/zinc/32/61/07/208326107.db2.gz LOTSROZKUGPWHG-UHFFFAOYSA-N 2 2 364.494 0.360 10 0 FCAELP COC(=O)[C@H]1CSCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000413405835 533501895 /nfs/dbraw/zinc/50/18/95/533501895.db2.gz QDUQWOCOANWZJH-CQSZACIVSA-N 2 2 372.535 0.560 10 0 FCAELP CCOC(=O)N1CCN(c2[nH+]cnc(N3CC[NH+](CC)CC3)c2N)CC1 ZINC000040726853 136120339 /nfs/dbraw/zinc/12/03/39/136120339.db2.gz VIZNMJLIJMEJLK-UHFFFAOYSA-N 2 2 363.466 0.479 10 0 FCAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@@](O)(C(F)(F)F)C2)CC1 ZINC000179312624 209076024 /nfs/dbraw/zinc/07/60/24/209076024.db2.gz VOVLJEVCCHTIGC-AWEZNQCLSA-N 2 2 352.401 0.721 10 0 FCAELP CN(C)C(=O)N1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C(C)(C)C1 ZINC000408131913 230011906 /nfs/dbraw/zinc/01/19/06/230011906.db2.gz IPBIDCLBJUBMHF-UHFFFAOYSA-N 2 2 365.522 0.807 10 0 FCAELP CN(C)C(=O)N1CC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C(C)(C)C1 ZINC000408131913 230011911 /nfs/dbraw/zinc/01/19/11/230011911.db2.gz IPBIDCLBJUBMHF-UHFFFAOYSA-N 2 2 365.522 0.807 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CCC(C[NH+](C)C)CC2)CC1 ZINC000410859411 230277249 /nfs/dbraw/zinc/27/72/49/230277249.db2.gz GROILNCKBBYMMK-UHFFFAOYSA-N 2 2 373.501 0.839 10 0 FCAELP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000562802887 491189568 /nfs/dbraw/zinc/18/95/68/491189568.db2.gz FPBYPHHPNUOGQI-JZXOWHBKSA-N 2 2 368.547 0.835 10 0 FCAELP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000328268785 488922247 /nfs/dbraw/zinc/92/22/47/488922247.db2.gz FGIMGPPIDNMZSY-YIOZNXECSA-N 2 2 351.491 0.842 10 0 FCAELP CCC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364205611 488934891 /nfs/dbraw/zinc/93/48/91/488934891.db2.gz HMHUMACPSKZXAH-UKRRQHHQSA-N 2 2 354.520 0.583 10 0 FCAELP CCC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364205611 488934894 /nfs/dbraw/zinc/93/48/94/488934894.db2.gz HMHUMACPSKZXAH-UKRRQHHQSA-N 2 2 354.520 0.583 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSc2nc(N)cc(N)[nH+]2)C1 ZINC000031355186 487758825 /nfs/dbraw/zinc/75/88/25/487758825.db2.gz INKRJQHGEFFYEP-LLVKDONJSA-N 2 2 354.480 0.206 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CSc2nc(N)cc(N)[nH+]2)C1 ZINC000031355186 487758828 /nfs/dbraw/zinc/75/88/28/487758828.db2.gz INKRJQHGEFFYEP-LLVKDONJSA-N 2 2 354.480 0.206 10 0 FCAELP CC(=O)NC1CC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000050991872 488120072 /nfs/dbraw/zinc/12/00/72/488120072.db2.gz NPJHOBSNUFVXGD-KRWDZBQOSA-N 2 2 354.495 0.060 10 0 FCAELP CC(=O)NC1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000050991872 488120076 /nfs/dbraw/zinc/12/00/76/488120076.db2.gz NPJHOBSNUFVXGD-KRWDZBQOSA-N 2 2 354.495 0.060 10 0 FCAELP CC(C)NC(=O)CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000073534257 488384775 /nfs/dbraw/zinc/38/47/75/488384775.db2.gz SPINMZAYDLDEED-UHFFFAOYSA-N 2 2 353.511 0.761 10 0 FCAELP C[NH+]1CCC(CNC(=O)NCCCn2ccnn2)([NH+]2CCCCC2)CC1 ZINC000183529311 488392912 /nfs/dbraw/zinc/39/29/12/488392912.db2.gz UAYHBWJCRVSZCU-UHFFFAOYSA-N 2 2 363.510 0.918 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCN(c3cc(OC)ncn3)CC2)CC1 ZINC000184076630 488394853 /nfs/dbraw/zinc/39/48/53/488394853.db2.gz RQLSSPOHUSEYFY-HNNXBMFYSA-N 2 2 362.478 0.160 10 0 FCAELP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000192500617 488422852 /nfs/dbraw/zinc/42/28/52/488422852.db2.gz CGHJNACGBKZRSO-MRXNPFEDSA-N 2 2 369.535 0.920 10 0 FCAELP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000192500617 488422854 /nfs/dbraw/zinc/42/28/54/488422854.db2.gz CGHJNACGBKZRSO-MRXNPFEDSA-N 2 2 369.535 0.920 10 0 FCAELP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000192551947 488423075 /nfs/dbraw/zinc/42/30/75/488423075.db2.gz GDZDGULBZKCCOH-UHFFFAOYSA-N 2 2 355.508 0.530 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(c3nnc[nH]3)CC2)C1 ZINC000083424859 488448196 /nfs/dbraw/zinc/44/81/96/488448196.db2.gz ZSZJGPMJXVSEHJ-INIZCTEOSA-N 2 2 364.494 0.457 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(c3nnc[nH]3)CC2)C1 ZINC000083424859 488448197 /nfs/dbraw/zinc/44/81/97/488448197.db2.gz ZSZJGPMJXVSEHJ-INIZCTEOSA-N 2 2 364.494 0.457 10 0 FCAELP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CC[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC000246543694 488473492 /nfs/dbraw/zinc/47/34/92/488473492.db2.gz YGSHIGSFZHJUBU-ROUUACIJSA-N 2 2 369.554 0.622 10 0 FCAELP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CC[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC000246543694 488473494 /nfs/dbraw/zinc/47/34/94/488473494.db2.gz YGSHIGSFZHJUBU-ROUUACIJSA-N 2 2 369.554 0.622 10 0 FCAELP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CC[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC000246543694 488473496 /nfs/dbraw/zinc/47/34/96/488473496.db2.gz YGSHIGSFZHJUBU-ROUUACIJSA-N 2 2 369.554 0.622 10 0 FCAELP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CC[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC000246543694 488473497 /nfs/dbraw/zinc/47/34/97/488473497.db2.gz YGSHIGSFZHJUBU-ROUUACIJSA-N 2 2 369.554 0.622 10 0 FCAELP C[C@@H]1CCCN1S(=O)(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000248700692 488501412 /nfs/dbraw/zinc/50/14/12/488501412.db2.gz KXHRMBRJEKTJQI-VPSFDDGASA-N 2 2 356.536 0.958 10 0 FCAELP C[C@@H]1CCCN1S(=O)(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000248700692 488501414 /nfs/dbraw/zinc/50/14/14/488501414.db2.gz KXHRMBRJEKTJQI-VPSFDDGASA-N 2 2 356.536 0.958 10 0 FCAELP Cn1cc([C@@H]2CC[NH+](CC(O)C[N@H+]3CC[C@@H](c4cnn(C)c4)C3)C2)cn1 ZINC000248745714 488502082 /nfs/dbraw/zinc/50/20/82/488502082.db2.gz RWJMYPIGBIIGPF-HZPDHXFCSA-N 2 2 358.490 0.793 10 0 FCAELP Cn1cc([C@@H]2CC[NH+](CC(O)C[N@@H+]3CC[C@@H](c4cnn(C)c4)C3)C2)cn1 ZINC000248745714 488502083 /nfs/dbraw/zinc/50/20/83/488502083.db2.gz RWJMYPIGBIIGPF-HZPDHXFCSA-N 2 2 358.490 0.793 10 0 FCAELP CC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000249681183 488513701 /nfs/dbraw/zinc/51/37/01/488513701.db2.gz CEUIFZJMFNIUFG-DOTOQJQBSA-N 2 2 359.474 0.719 10 0 FCAELP CC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000249681183 488513704 /nfs/dbraw/zinc/51/37/04/488513704.db2.gz CEUIFZJMFNIUFG-DOTOQJQBSA-N 2 2 359.474 0.719 10 0 FCAELP C[C@H]1CC[N@H+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)C[C@H]1n1cc[nH+]c1 ZINC000253556585 488521842 /nfs/dbraw/zinc/52/18/42/488521842.db2.gz UDZZWJZOFJFTSS-WCQYABFASA-N 2 2 372.429 0.828 10 0 FCAELP C[C@H]1CC[N@@H+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)C[C@H]1n1cc[nH+]c1 ZINC000253556585 488521844 /nfs/dbraw/zinc/52/18/44/488521844.db2.gz UDZZWJZOFJFTSS-WCQYABFASA-N 2 2 372.429 0.828 10 0 FCAELP CN(CCCN1CC[NH+](C)CC1)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000112297226 488534173 /nfs/dbraw/zinc/53/41/73/488534173.db2.gz NWIPBKMIGJOFDS-UHFFFAOYSA-N 2 2 374.533 0.543 10 0 FCAELP CN(CCC[NH+]1CCN(C)CC1)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000112297226 488534175 /nfs/dbraw/zinc/53/41/75/488534175.db2.gz NWIPBKMIGJOFDS-UHFFFAOYSA-N 2 2 374.533 0.543 10 0 FCAELP Cn1c2ccc(C[N@@H+]3CCC[C@@H](N4CC[NH2+]CC4=O)C3)cc2sc1=O ZINC000262002289 488545482 /nfs/dbraw/zinc/54/54/82/488545482.db2.gz UGCJMUWRNNKGCE-CQSZACIVSA-N 2 2 360.483 0.996 10 0 FCAELP Cn1c2ccc(C[N@H+]3CCC[C@@H](N4CC[NH2+]CC4=O)C3)cc2sc1=O ZINC000262002289 488545484 /nfs/dbraw/zinc/54/54/84/488545484.db2.gz UGCJMUWRNNKGCE-CQSZACIVSA-N 2 2 360.483 0.996 10 0 FCAELP CCNC(=O)N1CC[C@@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000120591788 488562301 /nfs/dbraw/zinc/56/23/01/488562301.db2.gz RFZUEDRMMVSOBL-CQSZACIVSA-N 2 2 354.499 0.115 10 0 FCAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC[N@@H+]1C ZINC000123559130 488586232 /nfs/dbraw/zinc/58/62/32/488586232.db2.gz VSPIAEPTWCQRLS-HZPDHXFCSA-N 2 2 362.474 0.979 10 0 FCAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC[N@H+]1C ZINC000123559130 488586234 /nfs/dbraw/zinc/58/62/34/488586234.db2.gz VSPIAEPTWCQRLS-HZPDHXFCSA-N 2 2 362.474 0.979 10 0 FCAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC[NH+]1C ZINC000123559130 488586236 /nfs/dbraw/zinc/58/62/36/488586236.db2.gz VSPIAEPTWCQRLS-HZPDHXFCSA-N 2 2 362.474 0.979 10 0 FCAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC[NH+]1C ZINC000123559130 488586238 /nfs/dbraw/zinc/58/62/38/488586238.db2.gz VSPIAEPTWCQRLS-HZPDHXFCSA-N 2 2 362.474 0.979 10 0 FCAELP CC(C)(CNC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1)[NH+]1CCOCC1 ZINC000125050572 488597586 /nfs/dbraw/zinc/59/75/86/488597586.db2.gz UFOKXBYFMHNUMN-HZPDHXFCSA-N 2 2 366.506 0.204 10 0 FCAELP CC(C)(CNC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1)[NH+]1CCOCC1 ZINC000125050572 488597588 /nfs/dbraw/zinc/59/75/88/488597588.db2.gz UFOKXBYFMHNUMN-HZPDHXFCSA-N 2 2 366.506 0.204 10 0 FCAELP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC(F)(F)C[NH2+]3)cn2)CC1 ZINC000262912895 488599005 /nfs/dbraw/zinc/59/90/05/488599005.db2.gz FWFFNZCCMPARMO-AWEZNQCLSA-N 2 2 353.417 0.837 10 0 FCAELP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@@H]3CC(F)(F)C[NH2+]3)c2)CC1 ZINC000263111936 488604649 /nfs/dbraw/zinc/60/46/49/488604649.db2.gz AHTWKRCZYBDDHB-HNNXBMFYSA-N 2 2 366.412 0.939 10 0 FCAELP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC1(c2noc(C[NH+](C)C)n2)CCCC1 ZINC000263262411 488607884 /nfs/dbraw/zinc/60/78/84/488607884.db2.gz SZKDZDYBHWQCMC-AWEZNQCLSA-N 2 2 366.466 0.116 10 0 FCAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)C1 ZINC000132160156 488651364 /nfs/dbraw/zinc/65/13/64/488651364.db2.gz JLCPVQMWVJEBMB-VYDXJSESSA-N 2 2 365.522 0.709 10 0 FCAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)C1 ZINC000132160156 488651365 /nfs/dbraw/zinc/65/13/65/488651365.db2.gz JLCPVQMWVJEBMB-VYDXJSESSA-N 2 2 365.522 0.709 10 0 FCAELP O=C(C[N@@H+]1CCO[C@]2(CCOC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000274469316 488711207 /nfs/dbraw/zinc/71/12/07/488711207.db2.gz ZARDLNHYPOHZJH-HXUWFJFHSA-N 2 2 359.470 0.822 10 0 FCAELP O=C(C[N@H+]1CCO[C@]2(CCOC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000274469316 488711208 /nfs/dbraw/zinc/71/12/08/488711208.db2.gz ZARDLNHYPOHZJH-HXUWFJFHSA-N 2 2 359.470 0.822 10 0 FCAELP CC[NH+](CC)CCNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000154966453 488749457 /nfs/dbraw/zinc/74/94/57/488749457.db2.gz GXWMBQOCHXCOLN-UHFFFAOYSA-N 2 2 353.511 0.572 10 0 FCAELP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@H]([NH+](C)C)C3)c2)CC1 ZINC000170843230 488816839 /nfs/dbraw/zinc/81/68/39/488816839.db2.gz ARSPADSWTLOMJE-SFHVURJKSA-N 2 2 373.501 0.535 10 0 FCAELP CNC(=O)[C@H]1CCCC[N@@H+]1CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000170910534 488817541 /nfs/dbraw/zinc/81/75/41/488817541.db2.gz RYXCLKZBFBQQHJ-JKSUJKDBSA-N 2 2 354.495 0.060 10 0 FCAELP CNC(=O)[C@H]1CCCC[N@H+]1CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000170910534 488817542 /nfs/dbraw/zinc/81/75/42/488817542.db2.gz RYXCLKZBFBQQHJ-JKSUJKDBSA-N 2 2 354.495 0.060 10 0 FCAELP CNC(=O)[C@H]1CCCC[NH+]1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000170910534 488817543 /nfs/dbraw/zinc/81/75/43/488817543.db2.gz RYXCLKZBFBQQHJ-JKSUJKDBSA-N 2 2 354.495 0.060 10 0 FCAELP CNC(=O)[C@H]1CCCC[NH+]1CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000170910534 488817544 /nfs/dbraw/zinc/81/75/44/488817544.db2.gz RYXCLKZBFBQQHJ-JKSUJKDBSA-N 2 2 354.495 0.060 10 0 FCAELP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172744150 488837036 /nfs/dbraw/zinc/83/70/36/488837036.db2.gz FUVSCOQCAXWKII-FQEVSTJZSA-N 2 2 372.513 0.737 10 0 FCAELP C[NH+]1CCC(CNC(=O)NCCNC(=O)C2CC2)([NH+]2CCCCC2)CC1 ZINC000173430306 488842719 /nfs/dbraw/zinc/84/27/19/488842719.db2.gz SZYCDMCMPVGRAG-UHFFFAOYSA-N 2 2 365.522 0.762 10 0 FCAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCCN3CCOCC3)CC2)C1 ZINC000173681609 488844474 /nfs/dbraw/zinc/84/44/74/488844474.db2.gz MHUCNORZICOKHN-IBGZPJMESA-N 2 2 354.539 0.436 10 0 FCAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCCN3CCOCC3)CC2)C1 ZINC000173681609 488844475 /nfs/dbraw/zinc/84/44/75/488844475.db2.gz MHUCNORZICOKHN-IBGZPJMESA-N 2 2 354.539 0.436 10 0 FCAELP CCN1CC[NH+](CCCCNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000173785444 488845235 /nfs/dbraw/zinc/84/52/35/488845235.db2.gz UFVPHHVTUFVDQI-SFHVURJKSA-N 2 2 367.538 0.520 10 0 FCAELP CNC(=O)CC1CC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000175038104 488852786 /nfs/dbraw/zinc/85/27/86/488852786.db2.gz MHOLQJFNANTJMA-KRWDZBQOSA-N 2 2 368.522 0.308 10 0 FCAELP CNC(=O)CC1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000175038104 488852787 /nfs/dbraw/zinc/85/27/87/488852787.db2.gz MHOLQJFNANTJMA-KRWDZBQOSA-N 2 2 368.522 0.308 10 0 FCAELP CNC(=O)CC1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000175038083 488852876 /nfs/dbraw/zinc/85/28/76/488852876.db2.gz MHOLQJFNANTJMA-QGZVFWFLSA-N 2 2 368.522 0.308 10 0 FCAELP CNC(=O)CC1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000175038083 488852877 /nfs/dbraw/zinc/85/28/77/488852877.db2.gz MHOLQJFNANTJMA-QGZVFWFLSA-N 2 2 368.522 0.308 10 0 FCAELP C[C@H]1CN(C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000175657932 488854879 /nfs/dbraw/zinc/85/48/79/488854879.db2.gz BZRARRUUIBBBDA-FUHWJXTLSA-N 2 2 367.538 0.375 10 0 FCAELP C[C@H]1CN(C(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000175657932 488854880 /nfs/dbraw/zinc/85/48/80/488854880.db2.gz BZRARRUUIBBBDA-FUHWJXTLSA-N 2 2 367.538 0.375 10 0 FCAELP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000176046424 488857143 /nfs/dbraw/zinc/85/71/43/488857143.db2.gz NCKUTCJEYPZCJO-HNNXBMFYSA-N 2 2 362.474 0.832 10 0 FCAELP Cc1cc(N2CCC(NC(=O)NC[C@@H]3C[N@H+](C)CCO3)CC2)nc(C)[nH+]1 ZINC000176142924 488857461 /nfs/dbraw/zinc/85/74/61/488857461.db2.gz AFUUWHXZQXNVOG-MRXNPFEDSA-N 2 2 362.478 0.692 10 0 FCAELP Cc1cc(N2CCC(NC(=O)NC[C@@H]3C[N@@H+](C)CCO3)CC2)nc(C)[nH+]1 ZINC000176142924 488857462 /nfs/dbraw/zinc/85/74/62/488857462.db2.gz AFUUWHXZQXNVOG-MRXNPFEDSA-N 2 2 362.478 0.692 10 0 FCAELP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)c3ccc(C[NH3+])o3)CC2)C1 ZINC000178884972 488860605 /nfs/dbraw/zinc/86/06/05/488860605.db2.gz JYCDGAQJVFXTEZ-INIZCTEOSA-N 2 2 350.463 0.605 10 0 FCAELP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)c3ccc(C[NH3+])o3)CC2)C1 ZINC000178884972 488860606 /nfs/dbraw/zinc/86/06/06/488860606.db2.gz JYCDGAQJVFXTEZ-INIZCTEOSA-N 2 2 350.463 0.605 10 0 FCAELP CC[C@@H](CO)[NH+]1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000179420453 488861191 /nfs/dbraw/zinc/86/11/91/488861191.db2.gz IPNBOKGIQAYVKL-KRWDZBQOSA-N 2 2 361.490 0.362 10 0 FCAELP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000181725034 488863734 /nfs/dbraw/zinc/86/37/34/488863734.db2.gz HMKZGRVCHUEGIK-IRXDYDNUSA-N 2 2 369.554 0.357 10 0 FCAELP C[NH+](C)C1(CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)Cc2ccccc2C1 ZINC000288486784 488985169 /nfs/dbraw/zinc/98/51/69/488985169.db2.gz IJHHSAMSNHWRIK-UHFFFAOYSA-N 2 2 370.497 0.508 10 0 FCAELP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1C[C@H](F)CN1c1ccncn1 ZINC000329896918 489046160 /nfs/dbraw/zinc/04/61/60/489046160.db2.gz CRPZOZMBESQNBV-GJZGRUSLSA-N 2 2 350.442 0.099 10 0 FCAELP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1C[C@H](F)CN1c1ccncn1 ZINC000329896918 489046162 /nfs/dbraw/zinc/04/61/62/489046162.db2.gz CRPZOZMBESQNBV-GJZGRUSLSA-N 2 2 350.442 0.099 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)N1CCOC(C)(C)C1 ZINC000657071380 492709274 /nfs/dbraw/zinc/70/92/74/492709274.db2.gz MMDGKCYIPJKBJJ-AWEZNQCLSA-N 2 2 350.529 0.204 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)N1CCOC(C)(C)C1 ZINC000657071380 492709277 /nfs/dbraw/zinc/70/92/77/492709277.db2.gz MMDGKCYIPJKBJJ-AWEZNQCLSA-N 2 2 350.529 0.204 10 0 FCAELP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)C[C@H]21 ZINC000332758101 489226063 /nfs/dbraw/zinc/22/60/63/489226063.db2.gz NSWZXKDJEPHGGS-KBAYOESNSA-N 2 2 366.506 0.602 10 0 FCAELP C[N@H+]1CCO[C@@H]2CCN(C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)C[C@H]21 ZINC000332758101 489226065 /nfs/dbraw/zinc/22/60/65/489226065.db2.gz NSWZXKDJEPHGGS-KBAYOESNSA-N 2 2 366.506 0.602 10 0 FCAELP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)C[C@@H]21 ZINC000332758100 489226224 /nfs/dbraw/zinc/22/62/24/489226224.db2.gz NSWZXKDJEPHGGS-BPQIPLTHSA-N 2 2 366.506 0.602 10 0 FCAELP C[N@H+]1CCO[C@@H]2CCN(C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)C[C@@H]21 ZINC000332758100 489226226 /nfs/dbraw/zinc/22/62/26/489226226.db2.gz NSWZXKDJEPHGGS-BPQIPLTHSA-N 2 2 366.506 0.602 10 0 FCAELP C[N@@H+]1CCO[C@H]2CCN(C(=O)NCC3([NH+]4CCCC4)CCOCC3)C[C@H]21 ZINC000332762055 489226762 /nfs/dbraw/zinc/22/67/62/489226762.db2.gz VFBBSZNCQPSNLF-SJORKVTESA-N 2 2 366.506 0.746 10 0 FCAELP C[N@H+]1CCO[C@H]2CCN(C(=O)NCC3([NH+]4CCCC4)CCOCC3)C[C@H]21 ZINC000332762055 489226765 /nfs/dbraw/zinc/22/67/65/489226765.db2.gz VFBBSZNCQPSNLF-SJORKVTESA-N 2 2 366.506 0.746 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(CC(F)F)CC3)C2)CC1 ZINC000369369123 489231373 /nfs/dbraw/zinc/23/13/73/489231373.db2.gz FFTBHTXCNBCWGE-AWEZNQCLSA-N 2 2 359.465 0.747 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(CC(F)F)CC3)C2)CC1 ZINC000369369123 489231374 /nfs/dbraw/zinc/23/13/74/489231374.db2.gz FFTBHTXCNBCWGE-AWEZNQCLSA-N 2 2 359.465 0.747 10 0 FCAELP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000283245465 489232575 /nfs/dbraw/zinc/23/25/75/489232575.db2.gz AZYXFKUKHUSWCS-KRWDZBQOSA-N 2 2 356.470 0.684 10 0 FCAELP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000283245465 489232576 /nfs/dbraw/zinc/23/25/76/489232576.db2.gz AZYXFKUKHUSWCS-KRWDZBQOSA-N 2 2 356.470 0.684 10 0 FCAELP CN(C(=O)c1cc2c(cn1)nc[nH]c2=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369965836 489297359 /nfs/dbraw/zinc/29/73/59/489297359.db2.gz SMNVIOLPSXQRDU-AWEZNQCLSA-N 2 2 370.457 0.971 10 0 FCAELP CN(C(=O)c1cc2c(cn1)nc[nH]c2=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369965836 489297362 /nfs/dbraw/zinc/29/73/62/489297362.db2.gz SMNVIOLPSXQRDU-AWEZNQCLSA-N 2 2 370.457 0.971 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N(C)CCCn3cc[nH+]c3)CC2)cc[nH+]1 ZINC000298770323 489363063 /nfs/dbraw/zinc/36/30/63/489363063.db2.gz VTGHXTZIPVTQAX-UHFFFAOYSA-N 2 2 371.445 0.179 10 0 FCAELP CCN1C(=O)N=NC1C1CC[NH+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000371289888 489474059 /nfs/dbraw/zinc/47/40/59/489474059.db2.gz QIULIFOJSGYURR-AWEZNQCLSA-N 2 2 364.494 0.736 10 0 FCAELP CN(C)S(=O)(=O)c1cccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000423160153 489498259 /nfs/dbraw/zinc/49/82/59/489498259.db2.gz YZAHETRVUQWBTG-DLBZAZTESA-N 2 2 353.488 0.794 10 0 FCAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451437230 489503925 /nfs/dbraw/zinc/50/39/25/489503925.db2.gz SVYGMQZJGGKERC-DYVFJYSZSA-N 2 2 354.401 0.821 10 0 FCAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451437230 489503927 /nfs/dbraw/zinc/50/39/27/489503927.db2.gz SVYGMQZJGGKERC-DYVFJYSZSA-N 2 2 354.401 0.821 10 0 FCAELP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000423249727 489507085 /nfs/dbraw/zinc/50/70/85/489507085.db2.gz PNNIYBNSJIAWQT-IAGOWNOFSA-N 2 2 366.506 0.287 10 0 FCAELP COCC[N@@H+]1CC[C@H](NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000371837987 489516130 /nfs/dbraw/zinc/51/61/30/489516130.db2.gz BKYMZRTZVVHIGB-DLBZAZTESA-N 2 2 354.495 0.603 10 0 FCAELP COCC[N@H+]1CC[C@H](NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000371837987 489516133 /nfs/dbraw/zinc/51/61/33/489516133.db2.gz BKYMZRTZVVHIGB-DLBZAZTESA-N 2 2 354.495 0.603 10 0 FCAELP C[NH+]1CCN(c2cc(C(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)ccn2)CC1 ZINC000372110269 489545683 /nfs/dbraw/zinc/54/56/83/489545683.db2.gz AYMXFCRWAUFTJL-QGZVFWFLSA-N 2 2 359.474 0.380 10 0 FCAELP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000425911045 489549466 /nfs/dbraw/zinc/54/94/66/489549466.db2.gz ZXWIXJYOOTYTOX-UHFFFAOYSA-N 2 2 373.457 0.520 10 0 FCAELP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH3+])cc2)CC1 ZINC000415782641 489552600 /nfs/dbraw/zinc/55/26/00/489552600.db2.gz KXHMYFRAZNNPBP-CABCVRRESA-N 2 2 361.490 0.615 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C[C@@]1(C)C[NH3+] ZINC000415846150 489557789 /nfs/dbraw/zinc/55/77/89/489557789.db2.gz XRXZABQOUMXCLJ-FOIQADDNSA-N 2 2 374.485 0.901 10 0 FCAELP C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1CCO ZINC000426481423 489569216 /nfs/dbraw/zinc/56/92/16/489569216.db2.gz ZORFSRTWUAVZBC-GOSISDBHSA-N 2 2 360.502 0.329 10 0 FCAELP C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1CCO ZINC000426481423 489569218 /nfs/dbraw/zinc/56/92/18/489569218.db2.gz ZORFSRTWUAVZBC-GOSISDBHSA-N 2 2 360.502 0.329 10 0 FCAELP C[C@@H]1CN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)[C@@H](C)C[N@@H+]1CCO ZINC000416291769 489577204 /nfs/dbraw/zinc/57/72/04/489577204.db2.gz IBTNOSSSAFJWMM-SJORKVTESA-N 2 2 361.490 0.117 10 0 FCAELP C[C@@H]1CN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)[C@@H](C)C[N@H+]1CCO ZINC000416291769 489577205 /nfs/dbraw/zinc/57/72/05/489577205.db2.gz IBTNOSSSAFJWMM-SJORKVTESA-N 2 2 361.490 0.117 10 0 FCAELP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000416292804 489578874 /nfs/dbraw/zinc/57/88/74/489578874.db2.gz JFDUHEHGFSVBQI-HZPDHXFCSA-N 2 2 361.490 0.361 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000416292804 489578877 /nfs/dbraw/zinc/57/88/77/489578877.db2.gz JFDUHEHGFSVBQI-HZPDHXFCSA-N 2 2 361.490 0.361 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCOC3(CCOCC3)C2)C1 ZINC000372748612 489632614 /nfs/dbraw/zinc/63/26/14/489632614.db2.gz RKWTZMUKIIFMNY-QGZVFWFLSA-N 2 2 369.506 0.341 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCOC3(CCOCC3)C2)C1 ZINC000372748612 489632617 /nfs/dbraw/zinc/63/26/17/489632617.db2.gz RKWTZMUKIIFMNY-QGZVFWFLSA-N 2 2 369.506 0.341 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCOC3(CCOCC3)C2)C1 ZINC000372748612 489632620 /nfs/dbraw/zinc/63/26/20/489632620.db2.gz RKWTZMUKIIFMNY-QGZVFWFLSA-N 2 2 369.506 0.341 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCOC3(CCOCC3)C2)C1 ZINC000372748612 489632624 /nfs/dbraw/zinc/63/26/24/489632624.db2.gz RKWTZMUKIIFMNY-QGZVFWFLSA-N 2 2 369.506 0.341 10 0 FCAELP C[C@H]([NH3+])[C@H](C)NC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000417631356 489660025 /nfs/dbraw/zinc/66/00/25/489660025.db2.gz SBZHNEXCQQUEEH-GJZGRUSLSA-N 2 2 353.511 0.746 10 0 FCAELP CC(C)C[C@@H](C[NH3+])NC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000417987418 489674222 /nfs/dbraw/zinc/67/42/22/489674222.db2.gz HTGPIOAOVPJQLL-KBPBESRZSA-N 2 2 350.467 0.584 10 0 FCAELP Cn1cc[nH+]c1CNC(=O)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000555754829 491271085 /nfs/dbraw/zinc/27/10/85/491271085.db2.gz MERGLSKDPJOWLB-UHFFFAOYSA-N 2 2 371.441 0.185 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000489389073 489709175 /nfs/dbraw/zinc/70/91/75/489709175.db2.gz RDXJLEPLYSMKFP-UHFFFAOYSA-N 2 2 370.457 0.940 10 0 FCAELP CCn1cc[nH+]c1CNC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000458997098 489713307 /nfs/dbraw/zinc/71/33/07/489713307.db2.gz GEAOIDKTELPAMC-AWEZNQCLSA-N 2 2 352.483 0.795 10 0 FCAELP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000418825742 489741760 /nfs/dbraw/zinc/74/17/60/489741760.db2.gz UXHQCLSROOREOU-WMLDXEAASA-N 2 2 370.457 0.512 10 0 FCAELP COCC[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)[C@H]1CCOC1 ZINC000490054385 489742936 /nfs/dbraw/zinc/74/29/36/489742936.db2.gz OBENRKSABHTZIG-DLBZAZTESA-N 2 2 357.495 0.197 10 0 FCAELP COCC[N@@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)[C@H]1CCOC1 ZINC000490054385 489742939 /nfs/dbraw/zinc/74/29/39/489742939.db2.gz OBENRKSABHTZIG-DLBZAZTESA-N 2 2 357.495 0.197 10 0 FCAELP COCC[NH+](CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)[C@H]1CCOC1 ZINC000490054385 489742944 /nfs/dbraw/zinc/74/29/44/489742944.db2.gz OBENRKSABHTZIG-DLBZAZTESA-N 2 2 357.495 0.197 10 0 FCAELP COCC[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)[C@H]1CCOC1 ZINC000490054385 489742946 /nfs/dbraw/zinc/74/29/46/489742946.db2.gz OBENRKSABHTZIG-DLBZAZTESA-N 2 2 357.495 0.197 10 0 FCAELP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418830668 489743141 /nfs/dbraw/zinc/74/31/41/489743141.db2.gz JNQNTGJVBBSOFW-KBAYOESNSA-N 2 2 374.485 0.118 10 0 FCAELP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418830668 489743147 /nfs/dbraw/zinc/74/31/47/489743147.db2.gz JNQNTGJVBBSOFW-KBAYOESNSA-N 2 2 374.485 0.118 10 0 FCAELP COc1ccc([C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C)c2[nH+]ccn2C)cc1 ZINC000555840620 491276570 /nfs/dbraw/zinc/27/65/70/491276570.db2.gz QQPCODDPCBRXJF-MRXNPFEDSA-N 2 2 373.457 0.654 10 0 FCAELP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000570962430 491276763 /nfs/dbraw/zinc/27/67/63/491276763.db2.gz CKBHYRMVOFHMMD-NXHRZFHOSA-N 2 2 374.485 0.385 10 0 FCAELP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000570962430 491276764 /nfs/dbraw/zinc/27/67/64/491276764.db2.gz CKBHYRMVOFHMMD-NXHRZFHOSA-N 2 2 374.485 0.385 10 0 FCAELP C[C@@H]1COCC[NH+]1CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000570962430 491276766 /nfs/dbraw/zinc/27/67/66/491276766.db2.gz CKBHYRMVOFHMMD-NXHRZFHOSA-N 2 2 374.485 0.385 10 0 FCAELP C[C@@H]1COCC[NH+]1CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000570962430 491276769 /nfs/dbraw/zinc/27/67/69/491276769.db2.gz CKBHYRMVOFHMMD-NXHRZFHOSA-N 2 2 374.485 0.385 10 0 FCAELP CC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)CC[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000418866113 489764875 /nfs/dbraw/zinc/76/48/75/489764875.db2.gz MOVTWTANGHJJHG-DZGCQCFKSA-N 2 2 372.391 0.773 10 0 FCAELP CC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000418865958 489765154 /nfs/dbraw/zinc/76/51/54/489765154.db2.gz MADGSXJRRHMWPJ-ZFWWWQNUSA-N 2 2 372.391 0.820 10 0 FCAELP CC[N@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000418865958 489765156 /nfs/dbraw/zinc/76/51/56/489765156.db2.gz MADGSXJRRHMWPJ-ZFWWWQNUSA-N 2 2 372.391 0.820 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]CC2)[C@H]1c1ccc(Cl)cc1 ZINC000418899119 489780887 /nfs/dbraw/zinc/78/08/87/489780887.db2.gz BMAURERCPISJOI-HUUCEWRRSA-N 2 2 350.850 0.633 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]CC2)[C@H]1c1ccc(Cl)cc1 ZINC000418899119 489780889 /nfs/dbraw/zinc/78/08/89/489780889.db2.gz BMAURERCPISJOI-HUUCEWRRSA-N 2 2 350.850 0.633 10 0 FCAELP CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418903192 489782919 /nfs/dbraw/zinc/78/29/19/489782919.db2.gz HPPXZZRFAJOLOD-CVEARBPZSA-N 2 2 368.428 0.942 10 0 FCAELP CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418903192 489782924 /nfs/dbraw/zinc/78/29/24/489782924.db2.gz HPPXZZRFAJOLOD-CVEARBPZSA-N 2 2 368.428 0.942 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418903641 489782946 /nfs/dbraw/zinc/78/29/46/489782946.db2.gz IHQFFRZMPFQHAK-RCBQFDQVSA-N 2 2 366.412 0.694 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418903641 489782951 /nfs/dbraw/zinc/78/29/51/489782951.db2.gz IHQFFRZMPFQHAK-RCBQFDQVSA-N 2 2 366.412 0.694 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000418902261 489783507 /nfs/dbraw/zinc/78/35/07/489783507.db2.gz GPERNYGVPOVCHP-KCPJHIHWSA-N 2 2 368.840 0.900 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000418902261 489783511 /nfs/dbraw/zinc/78/35/11/489783511.db2.gz GPERNYGVPOVCHP-KCPJHIHWSA-N 2 2 368.840 0.900 10 0 FCAELP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000418911358 489786163 /nfs/dbraw/zinc/78/61/63/489786163.db2.gz PVCRFWCFCSFIMX-KCXAZCMYSA-N 2 2 366.412 0.647 10 0 FCAELP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000418911358 489786166 /nfs/dbraw/zinc/78/61/66/489786166.db2.gz PVCRFWCFCSFIMX-KCXAZCMYSA-N 2 2 366.412 0.647 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418910105 489786782 /nfs/dbraw/zinc/78/67/82/489786782.db2.gz OPYQLZGKGBJAAT-UVBJJODRSA-N 2 2 366.412 0.633 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418910105 489786788 /nfs/dbraw/zinc/78/67/88/489786788.db2.gz OPYQLZGKGBJAAT-UVBJJODRSA-N 2 2 366.412 0.633 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418912914 489788052 /nfs/dbraw/zinc/78/80/52/489788052.db2.gz RYHFNJQGIWOFDU-RCBQFDQVSA-N 2 2 366.412 0.694 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418912914 489788055 /nfs/dbraw/zinc/78/80/55/489788055.db2.gz RYHFNJQGIWOFDU-RCBQFDQVSA-N 2 2 366.412 0.694 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000418916743 489789746 /nfs/dbraw/zinc/78/97/46/489789746.db2.gz XHMXCMYTRHMNID-TUKIKUTGSA-N 2 2 352.385 0.386 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000418916743 489789749 /nfs/dbraw/zinc/78/97/49/489789749.db2.gz XHMXCMYTRHMNID-TUKIKUTGSA-N 2 2 352.385 0.386 10 0 FCAELP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418940912 489797692 /nfs/dbraw/zinc/79/76/92/489797692.db2.gz JUYBUBTVERASCF-TZMCWYRMSA-N 2 2 350.488 0.337 10 0 FCAELP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418940912 489797695 /nfs/dbraw/zinc/79/76/95/489797695.db2.gz JUYBUBTVERASCF-TZMCWYRMSA-N 2 2 350.488 0.337 10 0 FCAELP O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418943123 489798205 /nfs/dbraw/zinc/79/82/05/489798205.db2.gz MIUPGCOSDQTWPO-GASCZTMLSA-N 2 2 362.499 0.575 10 0 FCAELP O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418943123 489798208 /nfs/dbraw/zinc/79/82/08/489798208.db2.gz MIUPGCOSDQTWPO-GASCZTMLSA-N 2 2 362.499 0.575 10 0 FCAELP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000459934408 489799454 /nfs/dbraw/zinc/79/94/54/489799454.db2.gz OIKDGIBQDVRHQQ-UHFFFAOYSA-N 2 2 366.506 0.110 10 0 FCAELP CC(C)[C@@H]1C[C@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000475422326 489826234 /nfs/dbraw/zinc/82/62/34/489826234.db2.gz QFIUOQCTYKLGPG-ZWKOTPCHSA-N 2 2 364.534 0.975 10 0 FCAELP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000419069114 489843628 /nfs/dbraw/zinc/84/36/28/489843628.db2.gz FVPSJKQCHWKQAB-KCXAZCMYSA-N 2 2 373.432 0.879 10 0 FCAELP COc1ccc([C@H](NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)c2[nH+]ccn2C)cc1 ZINC000419081043 489849339 /nfs/dbraw/zinc/84/93/39/489849339.db2.gz ZDXHLLZIXMFYDP-BBRMVZONSA-N 2 2 371.441 0.455 10 0 FCAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)C(=O)N[C@H]2CC[NH2+]C2)c(C)c1 ZINC000419113172 489860985 /nfs/dbraw/zinc/86/09/85/489860985.db2.gz QKXNNSAKIOTISN-DOTOQJQBSA-N 2 2 355.442 0.836 10 0 FCAELP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000420005740 489878762 /nfs/dbraw/zinc/87/87/62/489878762.db2.gz XAPSDTKOJUSGLO-DOTOQJQBSA-N 2 2 359.474 0.545 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000494468972 489892800 /nfs/dbraw/zinc/89/28/00/489892800.db2.gz SONXUUBGPJLECE-RBUKOAKNSA-N 2 2 374.529 0.890 10 0 FCAELP Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000494630607 489900518 /nfs/dbraw/zinc/90/05/18/489900518.db2.gz KBQZHWVJJBVOHT-CQSZACIVSA-N 2 2 355.504 0.907 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420068327 489902495 /nfs/dbraw/zinc/90/24/95/489902495.db2.gz TUWSIVNWORPLLB-JKSUJKDBSA-N 2 2 359.474 0.672 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)[C@@]2(CO)CCOC2)CC1 ZINC000461368643 489906146 /nfs/dbraw/zinc/90/61/46/489906146.db2.gz AWCOPVMGPDBWTJ-YLJYHZDGSA-N 2 2 361.486 0.975 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)[C@@]2(CO)CCOC2)CC1 ZINC000461368643 489906151 /nfs/dbraw/zinc/90/61/51/489906151.db2.gz AWCOPVMGPDBWTJ-YLJYHZDGSA-N 2 2 361.486 0.975 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000420115021 489917483 /nfs/dbraw/zinc/91/74/83/489917483.db2.gz ZMZKCXKJGHQZRW-LJQANCHMSA-N 2 2 359.474 0.545 10 0 FCAELP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000420128833 489923197 /nfs/dbraw/zinc/92/31/97/489923197.db2.gz WKAPPUGBEOBPCL-WBVHZDCISA-N 2 2 374.485 0.454 10 0 FCAELP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000420140580 489927216 /nfs/dbraw/zinc/92/72/16/489927216.db2.gz XWQAKPXQGLHKOV-CQSZACIVSA-N 2 2 370.457 0.390 10 0 FCAELP CC[NH+]1CCN(CC(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000461970130 489948046 /nfs/dbraw/zinc/94/80/46/489948046.db2.gz JZCSOVVYOXXSRV-KSZLIROESA-N 2 2 352.523 0.724 10 0 FCAELP CC(C)C[C@H](NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C(=O)NCC[NH+](C)C ZINC000462359773 489972188 /nfs/dbraw/zinc/97/21/88/489972188.db2.gz JNHRLPFRQLDGSU-CJNGLKHVSA-N 2 2 364.494 0.659 10 0 FCAELP CC(C)C[C@H](NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C(=O)NCC[NH+](C)C ZINC000462359773 489972191 /nfs/dbraw/zinc/97/21/91/489972191.db2.gz JNHRLPFRQLDGSU-CJNGLKHVSA-N 2 2 364.494 0.659 10 0 FCAELP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000477653218 489981972 /nfs/dbraw/zinc/98/19/72/489981972.db2.gz OSYAUOGOYVZBJB-HOTGVXAUSA-N 2 2 368.522 0.450 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000556098514 491295112 /nfs/dbraw/zinc/29/51/12/491295112.db2.gz UQKWBYMZMZEADP-INIZCTEOSA-N 2 2 359.474 0.851 10 0 FCAELP CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000438341918 490035019 /nfs/dbraw/zinc/03/50/19/490035019.db2.gz VUHCBUKBXNWTSG-OAHLLOKOSA-N 2 2 350.467 0.679 10 0 FCAELP CC[N@H+]1CC[C@H](CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000438341918 490035023 /nfs/dbraw/zinc/03/50/23/490035023.db2.gz VUHCBUKBXNWTSG-OAHLLOKOSA-N 2 2 350.467 0.679 10 0 FCAELP O=C(C[N@@H+]1CC[C@@]12CCOC2)NCc1ccccc1C[NH+]1CCOCC1 ZINC000421015941 490041925 /nfs/dbraw/zinc/04/19/25/490041925.db2.gz ITCKJKCCUZPCSM-FQEVSTJZSA-N 2 2 359.470 1.000 10 0 FCAELP O=C(C[N@H+]1CC[C@@]12CCOC2)NCc1ccccc1C[NH+]1CCOCC1 ZINC000421015941 490041927 /nfs/dbraw/zinc/04/19/27/490041927.db2.gz ITCKJKCCUZPCSM-FQEVSTJZSA-N 2 2 359.470 1.000 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@]3(CNC(=O)C3)C2)C1 ZINC000464797815 490068348 /nfs/dbraw/zinc/06/83/48/490068348.db2.gz GWJFTCAVOXCCHL-APWZRJJASA-N 2 2 366.506 0.062 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@]3(CNC(=O)C3)C2)C1 ZINC000464797815 490068350 /nfs/dbraw/zinc/06/83/50/490068350.db2.gz GWJFTCAVOXCCHL-APWZRJJASA-N 2 2 366.506 0.062 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@]3(CNC(=O)C3)C2)C1 ZINC000464797815 490068354 /nfs/dbraw/zinc/06/83/54/490068354.db2.gz GWJFTCAVOXCCHL-APWZRJJASA-N 2 2 366.506 0.062 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@]3(CNC(=O)C3)C2)C1 ZINC000464797815 490068356 /nfs/dbraw/zinc/06/83/56/490068356.db2.gz GWJFTCAVOXCCHL-APWZRJJASA-N 2 2 366.506 0.062 10 0 FCAELP C[NH+]1CCN(c2cccc(C(=O)NCC3([NH+]4CCOCC4)CC3)n2)CC1 ZINC000519801598 490087603 /nfs/dbraw/zinc/08/76/03/490087603.db2.gz PXRXPEXUURZXSV-UHFFFAOYSA-N 2 2 359.474 0.428 10 0 FCAELP C[C@@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000532732701 490104265 /nfs/dbraw/zinc/10/42/65/490104265.db2.gz ZDSOXQFHFLVAEB-LSDHHAIUSA-N 2 2 362.478 0.348 10 0 FCAELP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000465947973 490156152 /nfs/dbraw/zinc/15/61/52/490156152.db2.gz IMLBCBCJZYUYGE-HNNXBMFYSA-N 2 2 362.478 0.886 10 0 FCAELP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000465947973 490156160 /nfs/dbraw/zinc/15/61/60/490156160.db2.gz IMLBCBCJZYUYGE-HNNXBMFYSA-N 2 2 362.478 0.886 10 0 FCAELP CO[C@H]1C[C@H]2C[C@H]([NH2+][C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C[C@H]2C1 ZINC000520566430 490164565 /nfs/dbraw/zinc/16/45/65/490164565.db2.gz ZIWDETFPBLNMDP-OBVSXPTNSA-N 2 2 351.491 0.713 10 0 FCAELP CC[NH+](CC)[C@H](CNC(=O)C(=O)NCCc1cn(C)c[nH+]1)c1ccco1 ZINC000422266536 490216405 /nfs/dbraw/zinc/21/64/05/490216405.db2.gz KGOAWFOXKODTFN-OAHLLOKOSA-N 2 2 361.446 0.871 10 0 FCAELP CCC(=O)N[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+]2CCC[C@H](NC(=O)CC)C2)C1 ZINC000447348469 490223195 /nfs/dbraw/zinc/22/31/95/490223195.db2.gz RRIQPUWATJMZMI-BJWYYQGGSA-N 2 2 368.522 0.329 10 0 FCAELP CCC(=O)N[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+]2CCC[C@H](NC(=O)CC)C2)C1 ZINC000447348469 490223198 /nfs/dbraw/zinc/22/31/98/490223198.db2.gz RRIQPUWATJMZMI-BJWYYQGGSA-N 2 2 368.522 0.329 10 0 FCAELP CCC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCC[C@H](NC(=O)CC)C2)C1 ZINC000447348469 490223202 /nfs/dbraw/zinc/22/32/02/490223202.db2.gz RRIQPUWATJMZMI-BJWYYQGGSA-N 2 2 368.522 0.329 10 0 FCAELP CCC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCC[C@H](NC(=O)CC)C2)C1 ZINC000447348469 490223208 /nfs/dbraw/zinc/22/32/08/490223208.db2.gz RRIQPUWATJMZMI-BJWYYQGGSA-N 2 2 368.522 0.329 10 0 FCAELP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000556310781 491309034 /nfs/dbraw/zinc/30/90/34/491309034.db2.gz ASMKFXLMFPRNMZ-JKSUJKDBSA-N 2 2 363.462 0.101 10 0 FCAELP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000556310777 491309070 /nfs/dbraw/zinc/30/90/70/491309070.db2.gz ASMKFXLMFPRNMZ-HZPDHXFCSA-N 2 2 363.462 0.101 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000422342347 490266913 /nfs/dbraw/zinc/26/69/13/490266913.db2.gz SARVQLGQEMOWKO-QGZVFWFLSA-N 2 2 361.490 0.992 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000422342347 490266919 /nfs/dbraw/zinc/26/69/19/490266919.db2.gz SARVQLGQEMOWKO-QGZVFWFLSA-N 2 2 361.490 0.992 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000533849451 490291686 /nfs/dbraw/zinc/29/16/86/490291686.db2.gz PCMKEJPBBGVAFW-SFHVURJKSA-N 2 2 373.501 0.979 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000533849451 490291692 /nfs/dbraw/zinc/29/16/92/490291692.db2.gz PCMKEJPBBGVAFW-SFHVURJKSA-N 2 2 373.501 0.979 10 0 FCAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCCC[C@@H]2[C@H]2CNC(=O)C2)CC1 ZINC000534277606 490340233 /nfs/dbraw/zinc/34/02/33/490340233.db2.gz KPHXMSJNNGVLJC-NVXWUHKLSA-N 2 2 365.522 0.713 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)C(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000422471398 490340665 /nfs/dbraw/zinc/34/06/65/490340665.db2.gz JEPFFMCULLDZTN-UHFFFAOYSA-N 2 2 359.430 0.131 10 0 FCAELP COCCOCCN1C(=O)C[C@H]([N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C1=O ZINC000468938638 490466921 /nfs/dbraw/zinc/46/69/21/490466921.db2.gz LTXBHHNVEXLKST-OWCLPIDISA-N 2 2 364.446 0.557 10 0 FCAELP COCCOCCN1C(=O)C[C@H]([N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C1=O ZINC000468938638 490466926 /nfs/dbraw/zinc/46/69/26/490466926.db2.gz LTXBHHNVEXLKST-OWCLPIDISA-N 2 2 364.446 0.557 10 0 FCAELP COCCOCCN1C(=O)C[C@H]([N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000468938571 490468023 /nfs/dbraw/zinc/46/80/23/490468023.db2.gz LTXBHHNVEXLKST-JYJNAYRXSA-N 2 2 364.446 0.557 10 0 FCAELP COCCOCCN1C(=O)C[C@H]([N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000468938571 490468028 /nfs/dbraw/zinc/46/80/28/490468028.db2.gz LTXBHHNVEXLKST-JYJNAYRXSA-N 2 2 364.446 0.557 10 0 FCAELP O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000535263062 490471619 /nfs/dbraw/zinc/47/16/19/490471619.db2.gz ZNBHYGQCFGMEGH-UHFFFAOYSA-N 2 2 350.382 0.856 10 0 FCAELP O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422831752 490483576 /nfs/dbraw/zinc/48/35/76/490483576.db2.gz UDCYOIXXCMQOIQ-HOTGVXAUSA-N 2 2 364.490 0.988 10 0 FCAELP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)s1 ZINC000422999293 490514940 /nfs/dbraw/zinc/51/49/40/490514940.db2.gz SHWADFSXMJOUAS-HIFRSBDPSA-N 2 2 359.517 0.691 10 0 FCAELP CCOC(=O)c1ccc(N2CC([NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)nc1 ZINC000423030407 490524673 /nfs/dbraw/zinc/52/46/73/490524673.db2.gz JOSLFCJWGHILGD-FUHWJXTLSA-N 2 2 360.458 0.804 10 0 FCAELP C[NH+](C)C1CC[NH+](CCNC(=O)NCCC2CCS(=O)(=O)CC2)CC1 ZINC000510934113 490550375 /nfs/dbraw/zinc/55/03/75/490550375.db2.gz JPRAYKJUKZQIHH-UHFFFAOYSA-N 2 2 374.551 0.527 10 0 FCAELP CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000511097499 490561670 /nfs/dbraw/zinc/56/16/70/490561670.db2.gz VXYGXVVASOONKM-MRXNPFEDSA-N 2 2 372.535 0.085 10 0 FCAELP CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000511097499 490561676 /nfs/dbraw/zinc/56/16/76/490561676.db2.gz VXYGXVVASOONKM-MRXNPFEDSA-N 2 2 372.535 0.085 10 0 FCAELP COC[C@@H](C)C[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000525874146 490644325 /nfs/dbraw/zinc/64/43/25/490644325.db2.gz MYEQIYBKWZDIRT-HNNXBMFYSA-N 2 2 356.492 0.406 10 0 FCAELP O=C(NC1CC([NH+]2CCCCC2)C1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000511967453 490644692 /nfs/dbraw/zinc/64/46/92/490644692.db2.gz MESAICYYXUBLQS-UHFFFAOYSA-N 2 2 371.485 0.863 10 0 FCAELP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000565029591 491346503 /nfs/dbraw/zinc/34/65/03/491346503.db2.gz ALMVDGCEXWIEGY-IAGOWNOFSA-N 2 2 363.458 0.765 10 0 FCAELP CC(C)CN(C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@H]1CCS(=O)(=O)C1 ZINC000564987060 491343812 /nfs/dbraw/zinc/34/38/12/491343812.db2.gz NJAIXPQXXGHSDE-BBWFWOEESA-N 2 2 371.547 0.590 10 0 FCAELP CC(C)CN(C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@H]1CCS(=O)(=O)C1 ZINC000564987060 491343814 /nfs/dbraw/zinc/34/38/14/491343814.db2.gz NJAIXPQXXGHSDE-BBWFWOEESA-N 2 2 371.547 0.590 10 0 FCAELP Cn1ccnc1C[NH+]1CCC(C(=O)N[C@H](CO)C[NH+]2CCCCC2)CC1 ZINC000512350686 490676907 /nfs/dbraw/zinc/67/69/07/490676907.db2.gz SYNGEHILIDTRRV-KRWDZBQOSA-N 2 2 363.506 0.595 10 0 FCAELP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CC1=O ZINC000537985308 490703819 /nfs/dbraw/zinc/70/38/19/490703819.db2.gz YZXSYAQOAXDDOK-NXHRZFHOSA-N 2 2 350.507 0.382 10 0 FCAELP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CC1=O ZINC000537985308 490703821 /nfs/dbraw/zinc/70/38/21/490703821.db2.gz YZXSYAQOAXDDOK-NXHRZFHOSA-N 2 2 350.507 0.382 10 0 FCAELP Cc1c(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cccc1S(N)(=O)=O ZINC000514006934 490758506 /nfs/dbraw/zinc/75/85/06/490758506.db2.gz VUECODQGQRFWIR-UHFFFAOYSA-N 2 2 368.503 0.398 10 0 FCAELP C[NH+]1CCN(C(=O)CC[NH+]2CCN(Cc3nccn3C(F)F)CC2)CC1 ZINC000514075569 490761065 /nfs/dbraw/zinc/76/10/65/490761065.db2.gz IJVOZLFUSSYOKX-UHFFFAOYSA-N 2 2 370.448 0.560 10 0 FCAELP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000528135311 490780649 /nfs/dbraw/zinc/78/06/49/490780649.db2.gz VOCHDJMZJRIGIN-GOSISDBHSA-N 2 2 363.462 0.341 10 0 FCAELP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000528135311 490780650 /nfs/dbraw/zinc/78/06/50/490780650.db2.gz VOCHDJMZJRIGIN-GOSISDBHSA-N 2 2 363.462 0.341 10 0 FCAELP [NH3+]C1CCC(OCC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000514724392 490784490 /nfs/dbraw/zinc/78/44/90/490784490.db2.gz DLTVOFUYSOPCPD-DQPZFDDXSA-N 2 2 357.520 0.597 10 0 FCAELP Cc1c[nH+]cn1CC(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000528331652 490788385 /nfs/dbraw/zinc/78/83/85/490788385.db2.gz SKPVRDYOTXTXDS-UHFFFAOYSA-N 2 2 355.442 0.652 10 0 FCAELP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000528638192 490817101 /nfs/dbraw/zinc/81/71/01/490817101.db2.gz XWFGDHPRHQHCNW-QGTPRVQTSA-N 2 2 374.485 0.076 10 0 FCAELP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000528638192 490817102 /nfs/dbraw/zinc/81/71/02/490817102.db2.gz XWFGDHPRHQHCNW-QGTPRVQTSA-N 2 2 374.485 0.076 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2COCC[NH2+]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000529322749 490851909 /nfs/dbraw/zinc/85/19/09/490851909.db2.gz RAPSNHKKWVJTDB-KCXAZCMYSA-N 2 2 354.401 0.998 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)NC[C@@H]2COCC[NH2+]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000529322749 490851912 /nfs/dbraw/zinc/85/19/12/490851912.db2.gz RAPSNHKKWVJTDB-KCXAZCMYSA-N 2 2 354.401 0.998 10 0 FCAELP NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000516636864 490871764 /nfs/dbraw/zinc/87/17/64/490871764.db2.gz YNXWFLUKKMEYRN-CZUORRHYSA-N 2 2 366.487 0.737 10 0 FCAELP NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000516636864 490871767 /nfs/dbraw/zinc/87/17/67/490871767.db2.gz YNXWFLUKKMEYRN-CZUORRHYSA-N 2 2 366.487 0.737 10 0 FCAELP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000542115696 490885485 /nfs/dbraw/zinc/88/54/85/490885485.db2.gz LFZFZXYPLLDHBG-LSDHHAIUSA-N 2 2 364.494 0.941 10 0 FCAELP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000542115696 490885486 /nfs/dbraw/zinc/88/54/86/490885486.db2.gz LFZFZXYPLLDHBG-LSDHHAIUSA-N 2 2 364.494 0.941 10 0 FCAELP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000542115692 490885647 /nfs/dbraw/zinc/88/56/47/490885647.db2.gz LFZFZXYPLLDHBG-GJZGRUSLSA-N 2 2 364.494 0.941 10 0 FCAELP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000542115692 490885649 /nfs/dbraw/zinc/88/56/49/490885649.db2.gz LFZFZXYPLLDHBG-GJZGRUSLSA-N 2 2 364.494 0.941 10 0 FCAELP O=C(N1CC[NH2+]CC1)N1CC[NH+](CCn2cnc3ccccc3c2=O)CC1 ZINC000530225216 490893413 /nfs/dbraw/zinc/89/34/13/490893413.db2.gz VUDUVJIQVUMQHK-UHFFFAOYSA-N 2 2 370.457 0.039 10 0 FCAELP O=C(N1CC[NH2+]CC1)N1CCN(Cc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000530222902 490893825 /nfs/dbraw/zinc/89/38/25/490893825.db2.gz MHQSNXCRXQLVJI-UHFFFAOYSA-N 2 2 360.384 0.588 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)N2CCC[C@@H]([NH+](C)C)C2)C1=O ZINC000543049875 490920387 /nfs/dbraw/zinc/92/03/87/490920387.db2.gz GOHALDPMNQNAAR-HUUCEWRRSA-N 2 2 362.478 0.647 10 0 FCAELP C[C@@H](NC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)C1=CC[N@H+](C)CC1 ZINC000543967264 490953425 /nfs/dbraw/zinc/95/34/25/490953425.db2.gz OTLFQCCNBOAKLB-GDBMZVCRSA-N 2 2 374.489 0.861 10 0 FCAELP C[C@@H](NC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)C1=CC[N@@H+](C)CC1 ZINC000543967264 490953427 /nfs/dbraw/zinc/95/34/27/490953427.db2.gz OTLFQCCNBOAKLB-GDBMZVCRSA-N 2 2 374.489 0.861 10 0 FCAELP COc1cc2c(cc1OC)C[N@H+](CC(=O)NCCOCC[NH+](C)C)CC2 ZINC000544341413 490966176 /nfs/dbraw/zinc/96/61/76/490966176.db2.gz AFDDAOPVMGFZNL-UHFFFAOYSA-N 2 2 365.474 0.756 10 0 FCAELP COc1cc2c(cc1OC)C[N@@H+](CC(=O)NCCOCC[NH+](C)C)CC2 ZINC000544341413 490966179 /nfs/dbraw/zinc/96/61/79/490966179.db2.gz AFDDAOPVMGFZNL-UHFFFAOYSA-N 2 2 365.474 0.756 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCN(C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000531624775 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ZINC000627457883 492304086 /nfs/dbraw/zinc/30/40/86/492304086.db2.gz MSRGUXXVVSKCRR-ZWKOTPCHSA-N 2 2 374.485 0.466 10 0 FCAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000627459712 492304932 /nfs/dbraw/zinc/30/49/32/492304932.db2.gz PPCVCUDDTLUGND-HYVNUMGLSA-N 2 2 359.474 0.544 10 0 FCAELP C[C@H]1CC[C@H](NC(=O)C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)C[NH2+]1 ZINC000627483109 492317834 /nfs/dbraw/zinc/31/78/34/492317834.db2.gz ZFVULRRTJYXAST-QWRGUYRKSA-N 2 2 361.368 0.661 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CC1 ZINC000641895727 492321845 /nfs/dbraw/zinc/32/18/45/492321845.db2.gz GELLQQZMYFATIP-UHFFFAOYSA-N 2 2 367.538 0.567 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)CC1 ZINC000641895727 492321848 /nfs/dbraw/zinc/32/18/48/492321848.db2.gz GELLQQZMYFATIP-UHFFFAOYSA-N 2 2 367.538 0.567 10 0 FCAELP C[C@H](CNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654648032 492329015 /nfs/dbraw/zinc/32/90/15/492329015.db2.gz 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MDXCWVKRWYZVDW-IKGGRYGDSA-N 2 2 356.511 0.753 10 0 FCAELP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656317506 492588713 /nfs/dbraw/zinc/58/87/13/492588713.db2.gz YGHMXZDKPMEGRS-NXOAAHMSSA-N 2 2 368.522 0.591 10 0 FCAELP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656317506 492588715 /nfs/dbraw/zinc/58/87/15/492588715.db2.gz YGHMXZDKPMEGRS-NXOAAHMSSA-N 2 2 368.522 0.591 10 0 FCAELP CN(C)S(=O)(=O)N1CC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000623792869 492596176 /nfs/dbraw/zinc/59/61/76/492596176.db2.gz IJODTWYMXVQFFQ-UHFFFAOYSA-N 2 2 352.504 0.731 10 0 FCAELP C[NH+](C)CCOc1cc(CNC(=O)NC[C@@H]2COCC[N@@H+]2C)ccn1 ZINC000623824967 492599797 /nfs/dbraw/zinc/59/97/97/492599797.db2.gz UAOOKGXVOJCTFW-OAHLLOKOSA-N 2 2 351.451 0.152 10 0 FCAELP C[NH+](C)CCOc1cc(CNC(=O)NC[C@@H]2COCC[N@H+]2C)ccn1 ZINC000623824967 492599801 /nfs/dbraw/zinc/59/98/01/492599801.db2.gz UAOOKGXVOJCTFW-OAHLLOKOSA-N 2 2 351.451 0.152 10 0 FCAELP CC[NH+](CC)CCCNC(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656344628 492605020 /nfs/dbraw/zinc/60/50/20/492605020.db2.gz XDGCLMZQGSOHOO-OAGGEKHMSA-N 2 2 356.511 0.448 10 0 FCAELP CC[NH+](CC)CCCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656344628 492605023 /nfs/dbraw/zinc/60/50/23/492605023.db2.gz XDGCLMZQGSOHOO-OAGGEKHMSA-N 2 2 356.511 0.448 10 0 FCAELP CC[N@@H+]1CC[C@H](Nc2nc(N)[nH+]c(N)n2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000624094728 492620826 /nfs/dbraw/zinc/62/08/26/492620826.db2.gz LVBANDGXOJGUJV-JQWIXIFHSA-N 2 2 353.352 0.783 10 0 FCAELP CC[N@H+]1CC[C@H](Nc2nc(N)[nH+]c(N)n2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000624094728 492620831 /nfs/dbraw/zinc/62/08/31/492620831.db2.gz LVBANDGXOJGUJV-JQWIXIFHSA-N 2 2 353.352 0.783 10 0 FCAELP C[C@H](C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)N1CC[NH+](C)CC1 ZINC000629438665 492630708 /nfs/dbraw/zinc/63/07/08/492630708.db2.gz LMUMRKJZTZEOMO-AEFFLSMTSA-N 2 2 361.490 0.035 10 0 FCAELP C[C@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)N1CC[NH+](C)CC1 ZINC000629438665 492630711 /nfs/dbraw/zinc/63/07/11/492630711.db2.gz LMUMRKJZTZEOMO-AEFFLSMTSA-N 2 2 361.490 0.035 10 0 FCAELP O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629580742 492656864 /nfs/dbraw/zinc/65/68/64/492656864.db2.gz GKPGROQYRWTDBV-JKSUJKDBSA-N 2 2 353.488 0.496 10 0 FCAELP O=C(NC1CC1)c1ccc(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000629650423 492661908 /nfs/dbraw/zinc/66/19/08/492661908.db2.gz PTYRBXWSRHVGMF-UHFFFAOYSA-N 2 2 371.485 0.722 10 0 FCAELP Cc1ccc2[nH+]c(CNC(=O)N3CCN(CC[NH+](C)C)C(=O)C3)cn2c1 ZINC000650717568 492663702 /nfs/dbraw/zinc/66/37/02/492663702.db2.gz FRDPOKYHVMMWTC-UHFFFAOYSA-N 2 2 358.446 0.558 10 0 FCAELP C[NH+](C)CCN1CCN(C(=O)NCC[NH+]2Cc3ccccc3C2)CC1=O ZINC000650781738 492668339 /nfs/dbraw/zinc/66/83/39/492668339.db2.gz OQUHXMALOQKSKV-UHFFFAOYSA-N 2 2 359.474 0.418 10 0 FCAELP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000629787094 492671732 /nfs/dbraw/zinc/67/17/32/492671732.db2.gz RBQUBNKIQYYMNI-UHFFFAOYSA-N 2 2 368.503 0.087 10 0 FCAELP Nc1nc(-n2cccn2)cc(NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)[nH+]1 ZINC000624708737 492672883 /nfs/dbraw/zinc/67/28/83/492672883.db2.gz XVDQGJZSBPYGTI-OAHLLOKOSA-N 2 2 366.429 0.952 10 0 FCAELP Nc1nc(-n2cccn2)cc(NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)[nH+]1 ZINC000624708737 492672888 /nfs/dbraw/zinc/67/28/88/492672888.db2.gz XVDQGJZSBPYGTI-OAHLLOKOSA-N 2 2 366.429 0.952 10 0 FCAELP C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000629794952 492674829 /nfs/dbraw/zinc/67/48/29/492674829.db2.gz SETKSFXRONRCIB-UHFFFAOYSA-N 2 2 366.462 0.360 10 0 FCAELP C[NH+](C)CCN1CCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1=O ZINC000650987895 492691890 /nfs/dbraw/zinc/69/18/90/492691890.db2.gz MCOHJDPHCZOOCX-HNNXBMFYSA-N 2 2 360.462 0.076 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000657072039 492708976 /nfs/dbraw/zinc/70/89/76/492708976.db2.gz NGNSTIRKKYTYJQ-LBPRGKRZSA-N 2 2 369.491 0.819 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000657072039 492708978 /nfs/dbraw/zinc/70/89/78/492708978.db2.gz NGNSTIRKKYTYJQ-LBPRGKRZSA-N 2 2 369.491 0.819 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000657071708 492709012 /nfs/dbraw/zinc/70/90/12/492709012.db2.gz SMBQOYNWQVENFI-KKUMJFAQSA-N 2 2 350.529 0.202 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000657071708 492709013 /nfs/dbraw/zinc/70/90/13/492709013.db2.gz SMBQOYNWQVENFI-KKUMJFAQSA-N 2 2 350.529 0.202 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000657090379 492714780 /nfs/dbraw/zinc/71/47/80/492714780.db2.gz DDJZAQUGKZFFNR-AWEZNQCLSA-N 2 2 359.496 0.006 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000657090379 492714784 /nfs/dbraw/zinc/71/47/84/492714784.db2.gz DDJZAQUGKZFFNR-AWEZNQCLSA-N 2 2 359.496 0.006 10 0 FCAELP CN(C)C(=O)c1ccc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000657091149 492715794 /nfs/dbraw/zinc/71/57/94/492715794.db2.gz JMVXPOAGQPWWNW-UHFFFAOYSA-N 2 2 370.519 0.550 10 0 FCAELP CN(C)C(=O)c1ccc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000657091149 492715797 /nfs/dbraw/zinc/71/57/97/492715797.db2.gz JMVXPOAGQPWWNW-UHFFFAOYSA-N 2 2 370.519 0.550 10 0 FCAELP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1OCC(=O)N(CC)[C@H]1c1[nH+]ccn1C ZINC000625141922 492729431 /nfs/dbraw/zinc/72/94/31/492729431.db2.gz RLIOABNUDHOPIO-FVQBIDKESA-N 2 2 365.478 0.555 10 0 FCAELP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1OCC(=O)N(CC)[C@H]1c1[nH+]ccn1C ZINC000625141922 492729434 /nfs/dbraw/zinc/72/94/34/492729434.db2.gz RLIOABNUDHOPIO-FVQBIDKESA-N 2 2 365.478 0.555 10 0 FCAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCC[C@]3(O)CCOC3)CC2)CC1 ZINC000651288083 492735930 /nfs/dbraw/zinc/73/59/30/492735930.db2.gz BKZAFGZPSAHKKX-IBGZPJMESA-N 2 2 368.522 0.730 10 0 FCAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCC[C@]3(O)CCOC3)CC2)CC1 ZINC000651288083 492735936 /nfs/dbraw/zinc/73/59/36/492735936.db2.gz BKZAFGZPSAHKKX-IBGZPJMESA-N 2 2 368.522 0.730 10 0 FCAELP C[NH+](C)CCNC(=O)C1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000651334746 492743144 /nfs/dbraw/zinc/74/31/44/492743144.db2.gz OSPFJYMPAPIPFH-UHFFFAOYSA-N 2 2 361.490 0.678 10 0 FCAELP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000651348356 492744712 /nfs/dbraw/zinc/74/47/12/492744712.db2.gz PKBKSZWNOXCQIC-MRXNPFEDSA-N 2 2 361.490 0.285 10 0 FCAELP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000651348356 492744716 /nfs/dbraw/zinc/74/47/16/492744716.db2.gz PKBKSZWNOXCQIC-MRXNPFEDSA-N 2 2 361.490 0.285 10 0 FCAELP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)Cc2cn3c([nH+]2)CCCC3)cn1 ZINC000651381674 492748574 /nfs/dbraw/zinc/74/85/74/492748574.db2.gz ISAMCIOBQDYRFU-UHFFFAOYSA-N 2 2 373.461 0.275 10 0 FCAELP CCCN(CC[NH+](C)C)C(=O)[C@@H]1OCC(=O)N(CC)[C@H]1c1[nH+]ccn1C ZINC000625280705 492750729 /nfs/dbraw/zinc/75/07/29/492750729.db2.gz DPYSSYWCFIAAEG-HZPDHXFCSA-N 2 2 365.478 0.509 10 0 FCAELP C[C@@H]1CC[C@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CS1(=O)=O ZINC000657639749 492769089 /nfs/dbraw/zinc/76/90/89/492769089.db2.gz VGGYVPKQVPQHDL-HIFRSBDPSA-N 2 2 353.492 0.284 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC[C@H]1CCCOC1 ZINC000625410355 492776388 /nfs/dbraw/zinc/77/63/88/492776388.db2.gz VJEMKCXWXAISJG-MRXNPFEDSA-N 2 2 368.522 0.404 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC[C@H]1CCCOC1 ZINC000625410355 492776394 /nfs/dbraw/zinc/77/63/94/492776394.db2.gz VJEMKCXWXAISJG-MRXNPFEDSA-N 2 2 368.522 0.404 10 0 FCAELP CC(C)[C@@H](C[NH2+]Cc1cn(C[C@H]2CCOC2)nn1)N1CC[NH+](C)CC1 ZINC000631038631 492793594 /nfs/dbraw/zinc/79/35/94/492793594.db2.gz FAHWXKNUHDTWMU-SJLPKXTDSA-N 2 2 350.511 0.676 10 0 FCAELP CC(C)C[C@]1(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCNC1=O ZINC000631258861 492807571 /nfs/dbraw/zinc/80/75/71/492807571.db2.gz CVYWHKSSZKFIJL-DNVCBOLYSA-N 2 2 350.507 0.824 10 0 FCAELP CC(C)C[C@]1(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCNC1=O ZINC000631258861 492807575 /nfs/dbraw/zinc/80/75/75/492807575.db2.gz CVYWHKSSZKFIJL-DNVCBOLYSA-N 2 2 350.507 0.824 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CNC(=O)c4ccccc43)C2)CC1 ZINC000625522176 492809390 /nfs/dbraw/zinc/80/93/90/492809390.db2.gz LNOOCCRAVWUUAU-KDOFPFPSSA-N 2 2 356.470 0.798 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CNC(=O)c4ccccc43)C2)CC1 ZINC000625522176 492809395 /nfs/dbraw/zinc/80/93/95/492809395.db2.gz LNOOCCRAVWUUAU-KDOFPFPSSA-N 2 2 356.470 0.798 10 0 FCAELP CCN1C(=O)CO[C@H](C(=O)NCCCC[NH+](C)C)[C@H]1c1[nH+]ccn1C ZINC000625555103 492819890 /nfs/dbraw/zinc/81/98/90/492819890.db2.gz RGLRUFCGIDRPTE-GJZGRUSLSA-N 2 2 351.451 0.167 10 0 FCAELP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC000658117876 492841078 /nfs/dbraw/zinc/84/10/78/492841078.db2.gz WVXGFUBAADYOHX-SXLOBPIMSA-N 2 2 369.550 0.939 10 0 FCAELP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000658117876 492841083 /nfs/dbraw/zinc/84/10/83/492841083.db2.gz WVXGFUBAADYOHX-SXLOBPIMSA-N 2 2 369.550 0.939 10 0 FCAELP Cn1c2cc(C[NH+]3CCN(C(=O)N4CC[NH2+]CC4)CC3)ccc2oc1=O ZINC000631829861 492858848 /nfs/dbraw/zinc/85/88/48/492858848.db2.gz BYHIGHXREINBBK-UHFFFAOYSA-N 2 2 359.430 0.274 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1nc2c(s1)CCC2 ZINC000658335488 492860778 /nfs/dbraw/zinc/86/07/78/492860778.db2.gz ACMOICRHYJOAOC-LBPRGKRZSA-N 2 2 367.519 0.959 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1nc2c(s1)CCC2 ZINC000658335488 492860784 /nfs/dbraw/zinc/86/07/84/492860784.db2.gz ACMOICRHYJOAOC-LBPRGKRZSA-N 2 2 367.519 0.959 10 0 FCAELP CCc1nn(C)cc1NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000658336156 492861448 /nfs/dbraw/zinc/86/14/48/492861448.db2.gz OMGREPUAQUGGSB-ZDUSSCGKSA-N 2 2 352.483 0.309 10 0 FCAELP CCc1nn(C)cc1NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000658336156 492861451 /nfs/dbraw/zinc/86/14/51/492861451.db2.gz OMGREPUAQUGGSB-ZDUSSCGKSA-N 2 2 352.483 0.309 10 0 FCAELP COc1cnc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)s1 ZINC000658339687 492861578 /nfs/dbraw/zinc/86/15/78/492861578.db2.gz ULXKETJPBDCNTC-NSHDSACASA-N 2 2 357.480 0.478 10 0 FCAELP COc1cnc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)s1 ZINC000658339687 492861584 /nfs/dbraw/zinc/86/15/84/492861584.db2.gz ULXKETJPBDCNTC-NSHDSACASA-N 2 2 357.480 0.478 10 0 FCAELP C[NH+](C)[C@H](CNS(=O)(=O)C[C@H]1C[NH2+]CCO1)c1ccccc1Cl ZINC000631909371 492875438 /nfs/dbraw/zinc/87/54/38/492875438.db2.gz CLTIVXNBOCDGRJ-IUODEOHRSA-N 2 2 361.895 0.851 10 0 FCAELP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nc(N)[nH+]c3c2CCCC3)CC1 ZINC000645190453 492876289 /nfs/dbraw/zinc/87/62/89/492876289.db2.gz XJLKUFUSTBRBBC-AWEZNQCLSA-N 2 2 358.490 1.071 10 0 FCAELP Cn1cc[nH+]c1[C@@H](NS(=O)(=O)C[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000631911017 492876768 /nfs/dbraw/zinc/87/67/68/492876768.db2.gz TYDVKLNNAUPMCX-CABCVRRESA-N 2 2 350.444 0.417 10 0 FCAELP Cn1cc[nH+]c1[C@H](NS(=O)(=O)C[C@@H]1C[NH2+]CCO1)c1cccc(F)c1 ZINC000631911084 492876906 /nfs/dbraw/zinc/87/69/06/492876906.db2.gz VNWREJBAPUQFFA-LSDHHAIUSA-N 2 2 368.434 0.556 10 0 FCAELP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000631914912 492880205 /nfs/dbraw/zinc/88/02/05/492880205.db2.gz BCHBVKXROXAWOD-ZDUSSCGKSA-N 2 2 354.407 0.419 10 0 FCAELP C[C@@H](CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)[N@@H+]1CCc2sccc2C1 ZINC000631915952 492881315 /nfs/dbraw/zinc/88/13/15/492881315.db2.gz QZWPOMFUVZOATR-JSGCOSHPSA-N 2 2 359.517 0.403 10 0 FCAELP C[C@@H](CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)[N@H+]1CCc2sccc2C1 ZINC000631915952 492881318 /nfs/dbraw/zinc/88/13/18/492881318.db2.gz QZWPOMFUVZOATR-JSGCOSHPSA-N 2 2 359.517 0.403 10 0 FCAELP Cc1ccn2cc(CNC(=O)N3CN(CC[NH+](C)C)C(=O)[C@@H]3C)[nH+]c2c1 ZINC000645231969 492881502 /nfs/dbraw/zinc/88/15/02/492881502.db2.gz LUZXKJOXNKNSMC-AWEZNQCLSA-N 2 2 358.446 0.904 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@H](Nc4ncccn4)C3)C2)CC1 ZINC000645234123 492881560 /nfs/dbraw/zinc/88/15/60/492881560.db2.gz PBOQSMPMSKYKTA-JKSUJKDBSA-N 2 2 373.505 0.841 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@H](Nc4ncccn4)C3)C2)CC1 ZINC000645234123 492881564 /nfs/dbraw/zinc/88/15/64/492881564.db2.gz PBOQSMPMSKYKTA-JKSUJKDBSA-N 2 2 373.505 0.841 10 0 FCAELP CN(Cc1[nH+]ccn1CC(F)(F)F)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631918032 492884027 /nfs/dbraw/zinc/88/40/27/492884027.db2.gz RUPQFDMEPCNCOX-SNVBAGLBSA-N 2 2 356.370 0.195 10 0 FCAELP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N(C)Cc2c[nH+]c[nH]2)CC1 ZINC000625778559 492886054 /nfs/dbraw/zinc/88/60/54/492886054.db2.gz PAZUVMHZUUBKPN-UHFFFAOYSA-N 2 2 363.462 0.472 10 0 FCAELP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N(C)Cc2c[nH]c[nH+]2)CC1 ZINC000625778559 492886058 /nfs/dbraw/zinc/88/60/58/492886058.db2.gz PAZUVMHZUUBKPN-UHFFFAOYSA-N 2 2 363.462 0.472 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(-c2ncon2)cc1 ZINC000658428874 492886659 /nfs/dbraw/zinc/88/66/59/492886659.db2.gz ZUCQBBDXKKZVOF-UHFFFAOYSA-N 2 2 374.445 0.675 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(-c2ncon2)cc1 ZINC000658428874 492886661 /nfs/dbraw/zinc/88/66/61/492886661.db2.gz ZUCQBBDXKKZVOF-UHFFFAOYSA-N 2 2 374.445 0.675 10 0 FCAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000625807893 492891389 /nfs/dbraw/zinc/89/13/89/492891389.db2.gz ZJWCTKGWEOKAFP-KRWDZBQOSA-N 2 2 372.473 0.507 10 0 FCAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000625807893 492891392 /nfs/dbraw/zinc/89/13/92/492891392.db2.gz ZJWCTKGWEOKAFP-KRWDZBQOSA-N 2 2 372.473 0.507 10 0 FCAELP C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[C@H]1CCC(=O)N1 ZINC000625856552 492894939 /nfs/dbraw/zinc/89/49/39/492894939.db2.gz APLDNMDHLPYKIF-HZPDHXFCSA-N 2 2 350.507 0.968 10 0 FCAELP [NH3+]C[C@H](NC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)C(F)(F)F ZINC000625899471 492900470 /nfs/dbraw/zinc/90/04/70/492900470.db2.gz UTLTZHJFAUYNAZ-OLZOCXBDSA-N 2 2 361.368 0.471 10 0 FCAELP [NH3+]C[C@H](NC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)C(F)(F)F ZINC000625899471 492900472 /nfs/dbraw/zinc/90/04/72/492900472.db2.gz UTLTZHJFAUYNAZ-OLZOCXBDSA-N 2 2 361.368 0.471 10 0 FCAELP C[N@@H+]1CCO[C@H](CS(=O)(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000631970988 492901412 /nfs/dbraw/zinc/90/14/12/492901412.db2.gz IRJKAWRWMSVBEQ-MSOLQXFVSA-N 2 2 367.515 0.901 10 0 FCAELP C[N@H+]1CCO[C@H](CS(=O)(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000631970988 492901416 /nfs/dbraw/zinc/90/14/16/492901416.db2.gz IRJKAWRWMSVBEQ-MSOLQXFVSA-N 2 2 367.515 0.901 10 0 FCAELP C[NH+]1CCO[C@H](CS(=O)(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000631970988 492901421 /nfs/dbraw/zinc/90/14/21/492901421.db2.gz IRJKAWRWMSVBEQ-MSOLQXFVSA-N 2 2 367.515 0.901 10 0 FCAELP C[NH+]1CCO[C@H](CS(=O)(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000631970988 492901427 /nfs/dbraw/zinc/90/14/27/492901427.db2.gz IRJKAWRWMSVBEQ-MSOLQXFVSA-N 2 2 367.515 0.901 10 0 FCAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)CC2 ZINC000626010600 492914610 /nfs/dbraw/zinc/91/46/10/492914610.db2.gz YAJOSQDMPVZXDR-LSDHHAIUSA-N 2 2 368.503 0.331 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC000652352130 492914695 /nfs/dbraw/zinc/91/46/95/492914695.db2.gz JZTHSOAWAFZKDU-LNLFQRSKSA-N 3 2 352.523 0.520 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC000652352130 492914698 /nfs/dbraw/zinc/91/46/98/492914698.db2.gz JZTHSOAWAFZKDU-LNLFQRSKSA-N 3 2 352.523 0.520 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC000652352130 492914701 /nfs/dbraw/zinc/91/47/01/492914701.db2.gz JZTHSOAWAFZKDU-LNLFQRSKSA-N 3 2 352.523 0.520 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC000652352130 492914703 /nfs/dbraw/zinc/91/47/03/492914703.db2.gz JZTHSOAWAFZKDU-LNLFQRSKSA-N 3 2 352.523 0.520 10 0 FCAELP CCO[C@@H]1C[N@H+](CC(=O)NCc2ccccc2Cn2cccn2)C[C@H]1C[NH3+] ZINC000652356450 492914928 /nfs/dbraw/zinc/91/49/28/492914928.db2.gz KTYDOQMGCRNCOB-RTBURBONSA-N 2 2 371.485 0.843 10 0 FCAELP CCO[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2Cn2cccn2)C[C@H]1C[NH3+] ZINC000652356450 492914932 /nfs/dbraw/zinc/91/49/32/492914932.db2.gz KTYDOQMGCRNCOB-RTBURBONSA-N 2 2 371.485 0.843 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H](C)[C@@H]2CC[NH3+])C1 ZINC000652354834 492915057 /nfs/dbraw/zinc/91/50/57/492915057.db2.gz JMYDVOHGWWUAJB-KURKYZTESA-N 3 2 354.539 0.909 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H](C)[C@@H]2CC[NH3+])C1 ZINC000652354834 492915058 /nfs/dbraw/zinc/91/50/58/492915058.db2.gz JMYDVOHGWWUAJB-KURKYZTESA-N 3 2 354.539 0.909 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])C1 ZINC000652354834 492915064 /nfs/dbraw/zinc/91/50/64/492915064.db2.gz JMYDVOHGWWUAJB-KURKYZTESA-N 3 2 354.539 0.909 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])C1 ZINC000652354834 492915069 /nfs/dbraw/zinc/91/50/69/492915069.db2.gz JMYDVOHGWWUAJB-KURKYZTESA-N 3 2 354.539 0.909 10 0 FCAELP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2C[C@@H](C(N)=O)C2)CC1 ZINC000626036417 492922261 /nfs/dbraw/zinc/92/22/61/492922261.db2.gz BLGHBHMSVWZDLX-HDICACEKSA-N 2 2 358.486 0.835 10 0 FCAELP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2C[C@@H](C(N)=O)C2)CC1 ZINC000626036417 492922264 /nfs/dbraw/zinc/92/22/64/492922264.db2.gz BLGHBHMSVWZDLX-HDICACEKSA-N 2 2 358.486 0.835 10 0 FCAELP O=C(CN1CC[NH+](CCCF)CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000626071073 492925461 /nfs/dbraw/zinc/92/54/61/492925461.db2.gz OIKMITVAIIIRCP-UHFFFAOYSA-N 2 2 352.454 0.901 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+](CCCF)CC2)C1 ZINC000626073703 492926564 /nfs/dbraw/zinc/92/65/64/492926564.db2.gz XUJOGLPAKGPFAC-KRWDZBQOSA-N 2 2 358.502 0.437 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+](CCCF)CC2)C1 ZINC000626073703 492926566 /nfs/dbraw/zinc/92/65/66/492926566.db2.gz XUJOGLPAKGPFAC-KRWDZBQOSA-N 2 2 358.502 0.437 10 0 FCAELP C[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)N1CC[NH2+]CC1=O ZINC000638301059 492931428 /nfs/dbraw/zinc/93/14/28/492931428.db2.gz ANBXVWCCHXVVNF-SJLPKXTDSA-N 2 2 374.485 0.214 10 0 FCAELP C[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)N1CC[NH2+]CC1=O ZINC000638301059 492931433 /nfs/dbraw/zinc/93/14/33/492931433.db2.gz ANBXVWCCHXVVNF-SJLPKXTDSA-N 2 2 374.485 0.214 10 0 FCAELP C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000632127950 492935284 /nfs/dbraw/zinc/93/52/84/492935284.db2.gz MSNTZRHGKXJEMS-BHYGNILZSA-N 2 2 357.520 0.596 10 0 FCAELP C[N@H+]1CCO[C@H](CS(=O)(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000632127950 492935286 /nfs/dbraw/zinc/93/52/86/492935286.db2.gz MSNTZRHGKXJEMS-BHYGNILZSA-N 2 2 357.520 0.596 10 0 FCAELP C[NH+]1CCO[C@H](CS(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000632127950 492935287 /nfs/dbraw/zinc/93/52/87/492935287.db2.gz MSNTZRHGKXJEMS-BHYGNILZSA-N 2 2 357.520 0.596 10 0 FCAELP C[NH+]1CCO[C@H](CS(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000632127950 492935289 /nfs/dbraw/zinc/93/52/89/492935289.db2.gz MSNTZRHGKXJEMS-BHYGNILZSA-N 2 2 357.520 0.596 10 0 FCAELP CC[NH+](CC)CCN(C(=O)Cn1c[nH+]cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000626272781 492956243 /nfs/dbraw/zinc/95/62/43/492956243.db2.gz LTJRTYYOKHIXFQ-HNNXBMFYSA-N 2 2 356.492 0.549 10 0 FCAELP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)C[C@H](C)O1 ZINC000658589136 492970742 /nfs/dbraw/zinc/97/07/42/492970742.db2.gz RBCAAQHBNDXPQD-XHSDSOJGSA-N 2 2 368.522 0.543 10 0 FCAELP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)C[C@H](C)O1 ZINC000658589136 492970743 /nfs/dbraw/zinc/97/07/43/492970743.db2.gz RBCAAQHBNDXPQD-XHSDSOJGSA-N 2 2 368.522 0.543 10 0 FCAELP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)C[C@H](C)O1 ZINC000658589136 492970746 /nfs/dbraw/zinc/97/07/46/492970746.db2.gz RBCAAQHBNDXPQD-XHSDSOJGSA-N 2 2 368.522 0.543 10 0 FCAELP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)C[C@H](C)O1 ZINC000658589136 492970749 /nfs/dbraw/zinc/97/07/49/492970749.db2.gz RBCAAQHBNDXPQD-XHSDSOJGSA-N 2 2 368.522 0.543 10 0 FCAELP COc1ccc([C@H](C[NH+](C)C)NS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000632319291 492972276 /nfs/dbraw/zinc/97/22/76/492972276.db2.gz UTEKAIAOUNYVOQ-IRXDYDNUSA-N 2 2 371.503 0.548 10 0 FCAELP COc1ccc([C@H](C[NH+](C)C)NS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000632319291 492972278 /nfs/dbraw/zinc/97/22/78/492972278.db2.gz UTEKAIAOUNYVOQ-IRXDYDNUSA-N 2 2 371.503 0.548 10 0 FCAELP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)[C@H](C)C1 ZINC000658616885 492982068 /nfs/dbraw/zinc/98/20/68/492982068.db2.gz VCAUVAKQUBVVGJ-ZACQAIPSSA-N 2 2 366.506 0.108 10 0 FCAELP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)[C@H](C)C1 ZINC000658616885 492982070 /nfs/dbraw/zinc/98/20/70/492982070.db2.gz VCAUVAKQUBVVGJ-ZACQAIPSSA-N 2 2 366.506 0.108 10 0 FCAELP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000652690657 492991454 /nfs/dbraw/zinc/99/14/54/492991454.db2.gz LEZACDCPIIDGGI-LSDHHAIUSA-N 2 2 362.474 0.248 10 0 FCAELP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000652720458 493002846 /nfs/dbraw/zinc/00/28/46/493002846.db2.gz FGOQZWWISHAIJL-MRXNPFEDSA-N 2 2 355.442 0.772 10 0 FCAELP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)C(=O)N3CC[NH+](C4CC4)CC3)C2)C1 ZINC000652726968 493006028 /nfs/dbraw/zinc/00/60/28/493006028.db2.gz WZQLQCFVYKGBQH-UXLLHSPISA-N 2 2 364.490 0.038 10 0 FCAELP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000658680241 493006369 /nfs/dbraw/zinc/00/63/69/493006369.db2.gz YBDZBOKBDOGXJP-INIZCTEOSA-N 2 2 365.478 0.301 10 0 FCAELP Cn1nnnc1-c1ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000626774957 493017656 /nfs/dbraw/zinc/01/76/56/493017656.db2.gz SXCWJGJWAGWMHM-UHFFFAOYSA-N 2 2 360.466 0.882 10 0 FCAELP Cn1nnnc1-c1ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000626774957 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C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)NC/C=C\C[NH3+])c2)CC1 ZINC000666942643 493239748 /nfs/dbraw/zinc/23/97/48/493239748.db2.gz BKLYWKQTFPGAPE-IHWYPQMZSA-N 2 2 367.475 0.259 10 0 FCAELP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000659672206 493243058 /nfs/dbraw/zinc/24/30/58/493243058.db2.gz QNTXHQAWKUBWTQ-OLZOCXBDSA-N 2 2 368.428 0.770 10 0 FCAELP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000659672206 493243062 /nfs/dbraw/zinc/24/30/62/493243062.db2.gz QNTXHQAWKUBWTQ-OLZOCXBDSA-N 2 2 368.428 0.770 10 0 FCAELP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000659672208 493243231 /nfs/dbraw/zinc/24/32/31/493243231.db2.gz QNTXHQAWKUBWTQ-STQMWFEESA-N 2 2 368.428 0.770 10 0 FCAELP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000659672208 493243235 /nfs/dbraw/zinc/24/32/35/493243235.db2.gz QNTXHQAWKUBWTQ-STQMWFEESA-N 2 2 368.428 0.770 10 0 FCAELP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000659683218 493249804 /nfs/dbraw/zinc/24/98/04/493249804.db2.gz VKCTWUBDXCIDGJ-OAGGEKHMSA-N 2 2 354.495 0.236 10 0 FCAELP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000659683217 493249862 /nfs/dbraw/zinc/24/98/62/493249862.db2.gz VKCTWUBDXCIDGJ-BZUAXINKSA-N 2 2 354.495 0.236 10 0 FCAELP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)NCC12CC(C1)C[NH2+]2)c1ccccc1F ZINC000659683552 493250741 /nfs/dbraw/zinc/25/07/41/493250741.db2.gz VTKHESGQSAPSSV-IHBYNMNLSA-N 2 2 371.416 0.633 10 0 FCAELP O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659695768 493258407 /nfs/dbraw/zinc/25/84/07/493258407.db2.gz DKBCFKLFNXPPJJ-JKSUJKDBSA-N 2 2 359.474 0.552 10 0 FCAELP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000659706032 493264748 /nfs/dbraw/zinc/26/47/48/493264748.db2.gz CYJWLZCSPWFXQD-LBPRGKRZSA-N 2 2 352.866 0.538 10 0 FCAELP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000659706032 493264751 /nfs/dbraw/zinc/26/47/51/493264751.db2.gz CYJWLZCSPWFXQD-LBPRGKRZSA-N 2 2 352.866 0.538 10 0 FCAELP CC1(C)CN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC[N@@H+]1CCO ZINC000682065343 493266945 /nfs/dbraw/zinc/26/69/45/493266945.db2.gz LGHUZSXKSRNWLG-UHFFFAOYSA-N 2 2 372.429 0.121 10 0 FCAELP CC1(C)CN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC[N@H+]1CCO ZINC000682065343 493266947 /nfs/dbraw/zinc/26/69/47/493266947.db2.gz LGHUZSXKSRNWLG-UHFFFAOYSA-N 2 2 372.429 0.121 10 0 FCAELP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)NCC34CC(C3)C[NH2+]4)CC2)c1 ZINC000659742820 493282041 /nfs/dbraw/zinc/28/20/41/493282041.db2.gz JNBWRPOCPBMYKU-UHFFFAOYSA-N 2 2 356.470 0.507 10 0 FCAELP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000659744221 493282649 /nfs/dbraw/zinc/28/26/49/493282649.db2.gz SAXVMPWRNAKPPF-UHFFFAOYSA-N 2 2 372.469 0.078 10 0 FCAELP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000659744483 493282823 /nfs/dbraw/zinc/28/28/23/493282823.db2.gz WVPWWJWLVFIJCK-CHWWFWEZSA-N 2 2 371.485 0.794 10 0 FCAELP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659745048 493283332 /nfs/dbraw/zinc/28/33/32/493283332.db2.gz PFRQFDXRQTVIHT-UHFFFAOYSA-N 2 2 367.453 0.758 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc4[nH+]ccn4c3)C2)CC1 ZINC000682272610 493284675 /nfs/dbraw/zinc/28/46/75/493284675.db2.gz AGGUQPHUXFFJKZ-HNNXBMFYSA-N 3 2 370.457 0.558 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc4[nH+]ccn4c3)C2)CC1 ZINC000682272610 493284679 /nfs/dbraw/zinc/28/46/79/493284679.db2.gz AGGUQPHUXFFJKZ-HNNXBMFYSA-N 3 2 370.457 0.558 10 0 FCAELP Cc1ccc(CNC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)c(N2CCCC2)[nH+]1 ZINC000673258273 493307964 /nfs/dbraw/zinc/30/79/64/493307964.db2.gz NOGAKVWVDHKUAC-INIZCTEOSA-N 2 2 359.474 0.817 10 0 FCAELP Cc1ccc(CNC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)c(N2CCCC2)[nH+]1 ZINC000673258273 493307966 /nfs/dbraw/zinc/30/79/66/493307966.db2.gz NOGAKVWVDHKUAC-INIZCTEOSA-N 2 2 359.474 0.817 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1CC[C@@H](C3CC[NH+](C)CC3)C1)CC2 ZINC000660815655 493382383 /nfs/dbraw/zinc/38/23/83/493382383.db2.gz ZXDPYOUKHQBZTF-MRXNPFEDSA-N 2 2 359.474 0.724 10 0 FCAELP C[C@H](NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1[nH+]ccn1C ZINC000660864571 493389472 /nfs/dbraw/zinc/38/94/72/493389472.db2.gz ORRFRZUZKQANEX-LSDHHAIUSA-N 2 2 350.467 0.187 10 0 FCAELP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1[nH+]ccn1C ZINC000660864571 493389474 /nfs/dbraw/zinc/38/94/74/493389474.db2.gz ORRFRZUZKQANEX-LSDHHAIUSA-N 2 2 350.467 0.187 10 0 FCAELP CC1[C@H](C(=O)N2CC(n3cc[nH+]c3)C2)[C@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000668759658 493406727 /nfs/dbraw/zinc/40/67/27/493406727.db2.gz LCTHPCXQTRRGDH-HOTGVXAUSA-N 2 2 354.414 0.429 10 0 FCAELP Cn1c2ncn(CC[NH+]3CCC(c4c[nH]c[nH+]4)CC3)c2c(=O)n(C)c1=O ZINC000674372017 493410781 /nfs/dbraw/zinc/41/07/81/493410781.db2.gz ZSOPBQRTCDRQDZ-UHFFFAOYSA-N 2 2 357.418 0.036 10 0 FCAELP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000674384013 493412156 /nfs/dbraw/zinc/41/21/56/493412156.db2.gz QCDXUOLURKHZMZ-INIZCTEOSA-N 2 2 360.418 0.424 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCO[C@](C)(C3CC3)C2)C1 ZINC000661163903 493414253 /nfs/dbraw/zinc/41/42/53/493414253.db2.gz GOVBJGRBDUGHFP-HKUYNNGSSA-N 2 2 353.507 0.960 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCO[C@](C)(C3CC3)C2)C1 ZINC000661163903 493414257 /nfs/dbraw/zinc/41/42/57/493414257.db2.gz GOVBJGRBDUGHFP-HKUYNNGSSA-N 2 2 353.507 0.960 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCO[C@](C)(C3CC3)C2)C1 ZINC000661163903 493414259 /nfs/dbraw/zinc/41/42/59/493414259.db2.gz GOVBJGRBDUGHFP-HKUYNNGSSA-N 2 2 353.507 0.960 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCO[C@](C)(C3CC3)C2)C1 ZINC000661163903 493414262 /nfs/dbraw/zinc/41/42/62/493414262.db2.gz GOVBJGRBDUGHFP-HKUYNNGSSA-N 2 2 353.507 0.960 10 0 FCAELP CCN1C(=O)[C@H]2C[N@H+](C[C@H](O)C[NH+](C)Cc3ccccc3)CCN2C1=O ZINC000674470590 493419238 /nfs/dbraw/zinc/41/92/38/493419238.db2.gz ZPZKRJZPJGQPAZ-IAGOWNOFSA-N 2 2 360.458 0.448 10 0 FCAELP CCN1C(=O)[C@H]2C[N@@H+](C[C@H](O)C[NH+](C)Cc3ccccc3)CCN2C1=O ZINC000674470590 493419240 /nfs/dbraw/zinc/41/92/40/493419240.db2.gz ZPZKRJZPJGQPAZ-IAGOWNOFSA-N 2 2 360.458 0.448 10 0 FCAELP CCN1C(=O)[C@H]2C[NH+](C[C@H](O)C[N@H+](C)Cc3ccccc3)CCN2C1=O ZINC000674470590 493419241 /nfs/dbraw/zinc/41/92/41/493419241.db2.gz ZPZKRJZPJGQPAZ-IAGOWNOFSA-N 2 2 360.458 0.448 10 0 FCAELP CCN1C(=O)[C@H]2C[NH+](C[C@H](O)C[N@@H+](C)Cc3ccccc3)CCN2C1=O ZINC000674470590 493419244 /nfs/dbraw/zinc/41/92/44/493419244.db2.gz ZPZKRJZPJGQPAZ-IAGOWNOFSA-N 2 2 360.458 0.448 10 0 FCAELP C[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCN1S(C)(=O)=O ZINC000661680059 493457320 /nfs/dbraw/zinc/45/73/20/493457320.db2.gz MQVXNZKVAYHVMM-MRXNPFEDSA-N 2 2 367.515 0.985 10 0 FCAELP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCN1S(C)(=O)=O ZINC000661680059 493457322 /nfs/dbraw/zinc/45/73/22/493457322.db2.gz MQVXNZKVAYHVMM-MRXNPFEDSA-N 2 2 367.515 0.985 10 0 FCAELP O=C(C[N@@H+]1CC[C@@]2(O)C[C@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000661713929 493460977 /nfs/dbraw/zinc/46/09/77/493460977.db2.gz WKPWSHDBBSNOTO-AZUAARDMSA-N 2 2 359.470 0.592 10 0 FCAELP O=C(C[N@H+]1CC[C@@]2(O)C[C@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000661713929 493460980 /nfs/dbraw/zinc/46/09/80/493460980.db2.gz WKPWSHDBBSNOTO-AZUAARDMSA-N 2 2 359.470 0.592 10 0 FCAELP O[C@@H](COc1ccc2c(c1)OCO2)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662159314 493494132 /nfs/dbraw/zinc/49/41/32/493494132.db2.gz XPJKKAIWAGSBNO-JKSUJKDBSA-N 2 2 364.442 0.686 10 0 FCAELP O[C@@H](COc1ccc2c(c1)OCO2)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662159314 493494134 /nfs/dbraw/zinc/49/41/34/493494134.db2.gz XPJKKAIWAGSBNO-JKSUJKDBSA-N 2 2 364.442 0.686 10 0 FCAELP CC(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@H](C)C1 ZINC000675651717 493496829 /nfs/dbraw/zinc/49/68/29/493496829.db2.gz SMAQTAFPAMSMRP-ZBFHGGJFSA-N 2 2 351.495 0.417 10 0 FCAELP CC(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@H](C)C1 ZINC000675651717 493496831 /nfs/dbraw/zinc/49/68/31/493496831.db2.gz SMAQTAFPAMSMRP-ZBFHGGJFSA-N 2 2 351.495 0.417 10 0 FCAELP CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@@H](C)C1 ZINC000675651714 493496935 /nfs/dbraw/zinc/49/69/35/493496935.db2.gz SMAQTAFPAMSMRP-GOEBONIOSA-N 2 2 351.495 0.417 10 0 FCAELP CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@@H](C)C1 ZINC000675651714 493496937 /nfs/dbraw/zinc/49/69/37/493496937.db2.gz SMAQTAFPAMSMRP-GOEBONIOSA-N 2 2 351.495 0.417 10 0 FCAELP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000685533637 493502155 /nfs/dbraw/zinc/50/21/55/493502155.db2.gz QAYXWUXASRANNG-HZPDHXFCSA-N 2 2 354.495 0.156 10 0 FCAELP CC(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000662430191 493514735 /nfs/dbraw/zinc/51/47/35/493514735.db2.gz WHCIKEVUTHXZRA-KRWDZBQOSA-N 2 2 362.474 0.199 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCN(C(=O)c2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000662501326 493521736 /nfs/dbraw/zinc/52/17/36/493521736.db2.gz GSIOEFHSYUVFRP-UHFFFAOYSA-N 2 2 363.462 0.378 10 0 FCAELP Cc1ccc2[nH+]c(CNC(=O)C(=O)Nc3cnn(CC[NH+](C)C)c3)cn2c1 ZINC000676093265 493523419 /nfs/dbraw/zinc/52/34/19/493523419.db2.gz PUDAEEQHHDYKKP-UHFFFAOYSA-N 2 2 369.429 0.656 10 0 FCAELP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000676098596 493524714 /nfs/dbraw/zinc/52/47/14/493524714.db2.gz RCNHGVPTQWZCRP-ZDUSSCGKSA-N 2 2 359.434 0.513 10 0 FCAELP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)CC3([NH3+])CC3)CC2)cc1 ZINC000662727556 493535239 /nfs/dbraw/zinc/53/52/39/493535239.db2.gz ZKOZYKAPKZNINP-UHFFFAOYSA-N 2 2 360.458 0.451 10 0 FCAELP C[C@H](NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)[C@H]1C[N@H+](C)CCO1 ZINC000676305667 493543674 /nfs/dbraw/zinc/54/36/74/493543674.db2.gz HYUMNYPOHGNEPZ-YESZJQIVSA-N 2 2 354.495 0.602 10 0 FCAELP C[C@H](NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676305667 493543676 /nfs/dbraw/zinc/54/36/76/493543676.db2.gz HYUMNYPOHGNEPZ-YESZJQIVSA-N 2 2 354.495 0.602 10 0 FCAELP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000662887675 493549491 /nfs/dbraw/zinc/54/94/91/493549491.db2.gz NCHMBWRKWOWQJG-GOSISDBHSA-N 3 2 359.518 0.736 10 0 FCAELP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000662922490 493553848 /nfs/dbraw/zinc/55/38/48/493553848.db2.gz BXUBBAWHJFXURX-UHFFFAOYSA-N 2 2 372.469 0.159 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1CCC[C@@H](C3CC[NH2+]CC3)C1)CC2 ZINC000662941452 493557738 /nfs/dbraw/zinc/55/77/38/493557738.db2.gz QCFKLVLCBABTOT-MRXNPFEDSA-N 2 2 359.474 0.772 10 0 FCAELP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000662946021 493558939 /nfs/dbraw/zinc/55/89/39/493558939.db2.gz ZIKBCDAMXQZAOE-UHFFFAOYSA-N 2 2 371.485 0.875 10 0 FCAELP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662960992 493561481 /nfs/dbraw/zinc/56/14/81/493561481.db2.gz QBXDVYZFBDJVHU-SJLPKXTDSA-N 2 2 372.469 0.004 10 0 FCAELP CCc1c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[nH]c(C)c1C(N)=O ZINC000676639936 493564346 /nfs/dbraw/zinc/56/43/46/493564346.db2.gz FJUTYOFAFLYUSE-ZDUSSCGKSA-N 2 2 361.490 0.883 10 0 FCAELP CCc1c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[nH]c(C)c1C(N)=O ZINC000676639936 493564348 /nfs/dbraw/zinc/56/43/48/493564348.db2.gz FJUTYOFAFLYUSE-ZDUSSCGKSA-N 2 2 361.490 0.883 10 0 FCAELP COc1ccc(C[N@H+](C)CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)cn1 ZINC000676721364 493568433 /nfs/dbraw/zinc/56/84/33/493568433.db2.gz NGYWYEBMUKYNSY-KRWDZBQOSA-N 2 2 364.490 0.995 10 0 FCAELP COc1ccc(C[N@@H+](C)CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)cn1 ZINC000676721364 493568435 /nfs/dbraw/zinc/56/84/35/493568435.db2.gz NGYWYEBMUKYNSY-KRWDZBQOSA-N 2 2 364.490 0.995 10 0 FCAELP COc1ccc(C[NH+](C)CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cn1 ZINC000676721364 493568436 /nfs/dbraw/zinc/56/84/36/493568436.db2.gz NGYWYEBMUKYNSY-KRWDZBQOSA-N 2 2 364.490 0.995 10 0 FCAELP COc1ccc(C[NH+](C)CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cn1 ZINC000676721364 493568437 /nfs/dbraw/zinc/56/84/37/493568437.db2.gz NGYWYEBMUKYNSY-KRWDZBQOSA-N 2 2 364.490 0.995 10 0 FCAELP O=C(NCCn1cc[nH+]c1)NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000663237715 493579234 /nfs/dbraw/zinc/57/92/34/493579234.db2.gz NMMOYDSVOVUSQC-LJQANCHMSA-N 2 2 373.457 0.446 10 0 FCAELP O=C(NCCn1cc[nH+]c1)NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000663237715 493579237 /nfs/dbraw/zinc/57/92/37/493579237.db2.gz NMMOYDSVOVUSQC-LJQANCHMSA-N 2 2 373.457 0.446 10 0 FCAELP CC(C)C(=O)N1CCC(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1 ZINC000663580957 493601277 /nfs/dbraw/zinc/60/12/77/493601277.db2.gz JNDHKMBPSZPLFC-UHFFFAOYSA-N 2 2 355.527 0.816 10 0 FCAELP CC(C)C(=O)N1CCC(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000663580957 493601281 /nfs/dbraw/zinc/60/12/81/493601281.db2.gz JNDHKMBPSZPLFC-UHFFFAOYSA-N 2 2 355.527 0.816 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC[C@H]1CCCO1 ZINC000670822012 493601360 /nfs/dbraw/zinc/60/13/60/493601360.db2.gz JSDLAZFKOPBVQZ-MRXNPFEDSA-N 2 2 354.495 0.156 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC[C@H]1CCCO1 ZINC000670822012 493601362 /nfs/dbraw/zinc/60/13/62/493601362.db2.gz JSDLAZFKOPBVQZ-MRXNPFEDSA-N 2 2 354.495 0.156 10 0 FCAELP C[NH+]1CCN(C(=O)CC2CC[NH+](CC[C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000677697682 493612717 /nfs/dbraw/zinc/61/27/17/493612717.db2.gz ZVPZXTFCUPWTSD-KRWDZBQOSA-N 2 2 371.547 0.687 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000663831726 493620516 /nfs/dbraw/zinc/62/05/16/493620516.db2.gz VHJBGBGIRKCYCD-MRXNPFEDSA-N 2 2 361.490 0.975 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000663831726 493620519 /nfs/dbraw/zinc/62/05/19/493620519.db2.gz VHJBGBGIRKCYCD-MRXNPFEDSA-N 2 2 361.490 0.975 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@H](O)C(F)(F)C3)CC2)CC1 ZINC000663876406 493622782 /nfs/dbraw/zinc/62/27/82/493622782.db2.gz GAYKAMOHPAJTLL-HNNXBMFYSA-N 2 2 360.449 0.957 10 0 FCAELP C[NH+](C)CCC[C@@H]1CN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC000663899380 493624161 /nfs/dbraw/zinc/62/41/61/493624161.db2.gz MSOSMUYLEAKJRK-MRXNPFEDSA-N 2 2 356.511 0.849 10 0 FCAELP C[NH+](C)CCC[C@@H]1CN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC000663899380 493624164 /nfs/dbraw/zinc/62/41/64/493624164.db2.gz MSOSMUYLEAKJRK-MRXNPFEDSA-N 2 2 356.511 0.849 10 0 FCAELP Cc1cccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000671062918 493628639 /nfs/dbraw/zinc/62/86/39/493628639.db2.gz HFUUNDBZBAAAMN-GOSISDBHSA-N 2 2 373.501 0.633 10 0 FCAELP Cc1cccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000671062918 493628641 /nfs/dbraw/zinc/62/86/41/493628641.db2.gz HFUUNDBZBAAAMN-GOSISDBHSA-N 2 2 373.501 0.633 10 0 FCAELP Cc1cccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000671062919 493628658 /nfs/dbraw/zinc/62/86/58/493628658.db2.gz HFUUNDBZBAAAMN-SFHVURJKSA-N 2 2 373.501 0.633 10 0 FCAELP Cc1cccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000671062919 493628660 /nfs/dbraw/zinc/62/86/60/493628660.db2.gz HFUUNDBZBAAAMN-SFHVURJKSA-N 2 2 373.501 0.633 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)CC2 ZINC000671071675 493629469 /nfs/dbraw/zinc/62/94/69/493629469.db2.gz GCMOCBNZWLNTGK-MRXNPFEDSA-N 2 2 351.476 0.087 10 0 FCAELP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000664025111 493630922 /nfs/dbraw/zinc/63/09/22/493630922.db2.gz KNXCLGUHNZGCRT-DLBZAZTESA-N 3 2 356.559 0.194 10 0 FCAELP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000664025111 493630927 /nfs/dbraw/zinc/63/09/27/493630927.db2.gz KNXCLGUHNZGCRT-DLBZAZTESA-N 3 2 356.559 0.194 10 0 FCAELP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000664025111 493630928 /nfs/dbraw/zinc/63/09/28/493630928.db2.gz KNXCLGUHNZGCRT-DLBZAZTESA-N 3 2 356.559 0.194 10 0 FCAELP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000664025111 493630931 /nfs/dbraw/zinc/63/09/31/493630931.db2.gz KNXCLGUHNZGCRT-DLBZAZTESA-N 3 2 356.559 0.194 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)NCc1cccc(C[NH+](C)C)c1)CC2 ZINC000671090999 493631472 /nfs/dbraw/zinc/63/14/72/493631472.db2.gz FATMMRQNNVUVEA-UHFFFAOYSA-N 2 2 355.442 0.912 10 0 FCAELP O=C(NC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671102024 493633380 /nfs/dbraw/zinc/63/33/80/493633380.db2.gz UPQDOKILSFGVLV-IRXDYDNUSA-N 2 2 371.485 0.910 10 0 FCAELP O=C(NC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671102024 493633382 /nfs/dbraw/zinc/63/33/82/493633382.db2.gz UPQDOKILSFGVLV-IRXDYDNUSA-N 2 2 371.485 0.910 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000671101455 493633668 /nfs/dbraw/zinc/63/36/68/493633668.db2.gz QPSDJROOOABIMW-DLBZAZTESA-N 2 2 371.485 0.782 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000671101455 493633670 /nfs/dbraw/zinc/63/36/70/493633670.db2.gz QPSDJROOOABIMW-DLBZAZTESA-N 2 2 371.485 0.782 10 0 FCAELP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000664065920 493634143 /nfs/dbraw/zinc/63/41/43/493634143.db2.gz OYTSWEAFRFUFNQ-CABCVRRESA-N 2 2 367.494 0.890 10 0 FCAELP COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000664065920 493634144 /nfs/dbraw/zinc/63/41/44/493634144.db2.gz OYTSWEAFRFUFNQ-CABCVRRESA-N 2 2 367.494 0.890 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000664089131 493635754 /nfs/dbraw/zinc/63/57/54/493635754.db2.gz CXDIQMPWESCZNG-GFCCVEGCSA-N 2 2 367.416 0.332 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000664089131 493635756 /nfs/dbraw/zinc/63/57/56/493635756.db2.gz CXDIQMPWESCZNG-GFCCVEGCSA-N 2 2 367.416 0.332 10 0 FCAELP CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000664131279 493639040 /nfs/dbraw/zinc/63/90/40/493639040.db2.gz VQCUYQSIQLECJT-HZPDHXFCSA-N 2 2 355.527 0.816 10 0 FCAELP CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000664131279 493639042 /nfs/dbraw/zinc/63/90/42/493639042.db2.gz VQCUYQSIQLECJT-HZPDHXFCSA-N 2 2 355.527 0.816 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1cccc(-n2cncn2)c1 ZINC000664165027 493641426 /nfs/dbraw/zinc/64/14/26/493641426.db2.gz QPPWWGVFOGFDOC-UHFFFAOYSA-N 2 2 359.478 0.950 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1cccc(-n2cncn2)c1 ZINC000664165027 493641428 /nfs/dbraw/zinc/64/14/28/493641428.db2.gz QPPWWGVFOGFDOC-UHFFFAOYSA-N 2 2 359.478 0.950 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1n[nH]cc1Br ZINC000664175552 493642038 /nfs/dbraw/zinc/64/20/38/493642038.db2.gz AEHUSAHMXURPTR-UHFFFAOYSA-N 2 2 361.288 0.855 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1n[nH]cc1Br ZINC000664175552 493642040 /nfs/dbraw/zinc/64/20/40/493642040.db2.gz AEHUSAHMXURPTR-UHFFFAOYSA-N 2 2 361.288 0.855 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1)[NH+]1CCc2sccc2C1 ZINC000671150749 493643585 /nfs/dbraw/zinc/64/35/85/493643585.db2.gz IPEGGLZCDVIKPO-UKRRQHHQSA-N 2 2 364.515 0.821 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCc2sccc2C1 ZINC000671150749 493643588 /nfs/dbraw/zinc/64/35/88/493643588.db2.gz IPEGGLZCDVIKPO-UKRRQHHQSA-N 2 2 364.515 0.821 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH+](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000671150749 493643590 /nfs/dbraw/zinc/64/35/90/493643590.db2.gz IPEGGLZCDVIKPO-UKRRQHHQSA-N 2 2 364.515 0.821 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH+](C)C1)[N@H+]1CCc2sccc2C1 ZINC000671150749 493643593 /nfs/dbraw/zinc/64/35/93/493643593.db2.gz IPEGGLZCDVIKPO-UKRRQHHQSA-N 2 2 364.515 0.821 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000664335303 493654215 /nfs/dbraw/zinc/65/42/15/493654215.db2.gz XLXYEOJLGGKUIB-UHFFFAOYSA-N 2 2 357.480 0.339 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000664335303 493654217 /nfs/dbraw/zinc/65/42/17/493654217.db2.gz XLXYEOJLGGKUIB-UHFFFAOYSA-N 2 2 357.480 0.339 10 0 FCAELP C[C@@H](NC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)[C@H]1C[N@H+](C)CCO1 ZINC000664490800 493662812 /nfs/dbraw/zinc/66/28/12/493662812.db2.gz UVWNBGRTYOJBSN-QBPKDAKJSA-N 2 2 366.506 0.648 10 0 FCAELP C[C@@H](NC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)[C@H]1C[N@@H+](C)CCO1 ZINC000664490800 493662814 /nfs/dbraw/zinc/66/28/14/493662814.db2.gz UVWNBGRTYOJBSN-QBPKDAKJSA-N 2 2 366.506 0.648 10 0 FCAELP COC[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C1CCOCC1 ZINC000664537686 493666315 /nfs/dbraw/zinc/66/63/15/493666315.db2.gz PJGGFQGPHICOHY-KRWDZBQOSA-N 2 2 356.511 0.753 10 0 FCAELP CCN(C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)[C@@H]1CC[N@H+](C)C1 ZINC000664631985 493674132 /nfs/dbraw/zinc/67/41/32/493674132.db2.gz OADUNDZCYQTVBJ-CABCVRRESA-N 2 2 362.478 0.647 10 0 FCAELP CCN(C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)[C@@H]1CC[N@@H+](C)C1 ZINC000664631985 493674134 /nfs/dbraw/zinc/67/41/34/493674134.db2.gz OADUNDZCYQTVBJ-CABCVRRESA-N 2 2 362.478 0.647 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccc(-c2nncnn2)cc1 ZINC000665239592 493706145 /nfs/dbraw/zinc/70/61/45/493706145.db2.gz VCXXORZIEMXFNY-UHFFFAOYSA-N 2 2 372.477 0.616 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccc(-c2nncnn2)cc1 ZINC000665239592 493706147 /nfs/dbraw/zinc/70/61/47/493706147.db2.gz VCXXORZIEMXFNY-UHFFFAOYSA-N 2 2 372.477 0.616 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCCCC3CC3)CC2)CC1 ZINC000671950739 493717344 /nfs/dbraw/zinc/71/73/44/493717344.db2.gz GTHMEODUVPXETA-UHFFFAOYSA-N 2 2 350.507 0.968 10 0 FCAELP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cc[nH+]cc2N(C)C)CC1=O ZINC000681362851 493758398 /nfs/dbraw/zinc/75/83/98/493758398.db2.gz MLHFAKVOEWPZOF-GJZGRUSLSA-N 2 2 359.474 0.841 10 0 FCAELP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cc[nH+]cc2N(C)C)CC1=O ZINC000681362851 493758400 /nfs/dbraw/zinc/75/84/00/493758400.db2.gz MLHFAKVOEWPZOF-GJZGRUSLSA-N 2 2 359.474 0.841 10 0 FCAELP COC[C@H]1CCC[N@@H+]1[C@H]1[C@@H](C[NH2+]Cc2ccc(F)cc2)O[C@@H](CO)[C@H]1O ZINC000020465331 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KMDYESXNOOZBAT-CABCVRRESA-N 2 2 356.536 0.976 10 0 FCAELP CC1(C)COCC[NH+]1CCNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000916619238 667010123 /nfs/dbraw/zinc/01/01/23/667010123.db2.gz KMDYESXNOOZBAT-CABCVRRESA-N 2 2 356.536 0.976 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H]3C[C@@H]4COC[C@@H]4O3)C2)CC1 ZINC000918905462 667140008 /nfs/dbraw/zinc/14/00/08/667140008.db2.gz FIHLKORBCHXKDR-WTTBNOFXSA-N 2 2 352.479 0.258 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H]3C[C@@H]4COC[C@@H]4O3)C2)CC1 ZINC000918905462 667140012 /nfs/dbraw/zinc/14/00/12/667140012.db2.gz FIHLKORBCHXKDR-WTTBNOFXSA-N 2 2 352.479 0.258 10 0 FCAELP C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1N=NC(=O)N1C ZINC000918914021 667141156 /nfs/dbraw/zinc/14/11/56/667141156.db2.gz PSSIWSPBGIYZLK-VXGBXAGGSA-N 2 2 351.455 0.049 10 0 FCAELP C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1N=NC(=O)N1C ZINC000918914021 667141160 /nfs/dbraw/zinc/14/11/60/667141160.db2.gz PSSIWSPBGIYZLK-VXGBXAGGSA-N 2 2 351.455 0.049 10 0 FCAELP C[NH+]1CCN(CCCS(=O)(=O)N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)CC1 ZINC000919603459 667189308 /nfs/dbraw/zinc/18/93/08/667189308.db2.gz CPIPQBZDPHQHQL-MRXNPFEDSA-N 2 2 360.568 0.616 10 0 FCAELP C[NH+]1CCN(CCCS(=O)(=O)N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)CC1 ZINC000919603459 667189311 /nfs/dbraw/zinc/18/93/11/667189311.db2.gz CPIPQBZDPHQHQL-MRXNPFEDSA-N 2 2 360.568 0.616 10 0 FCAELP [NH3+][C@]1(CO)CCCN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000923478171 667839334 /nfs/dbraw/zinc/83/93/34/667839334.db2.gz NVBUMHPSDPXCRT-QGZVFWFLSA-N 2 2 352.504 0.178 10 0 FCAELP CCCN(C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000923499877 667841692 /nfs/dbraw/zinc/84/16/92/667841692.db2.gz NWHKBQYNQKOXBA-QKPAOTATSA-N 2 2 359.536 0.717 10 0 FCAELP CCCN(C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000923499877 667841697 /nfs/dbraw/zinc/84/16/97/667841697.db2.gz NWHKBQYNQKOXBA-QKPAOTATSA-N 2 2 359.536 0.717 10 0 FCAELP C[NH+]1CCC(CNC(=O)CCN2CCOC2=O)([NH+]2CCCCC2)CC1 ZINC000742011308 668024894 /nfs/dbraw/zinc/02/48/94/668024894.db2.gz NLACTEWBJGLEGN-UHFFFAOYSA-N 2 2 352.479 0.895 10 0 FCAELP C[NH+]1CCN(C(=O)C[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000798949315 669270385 /nfs/dbraw/zinc/27/03/85/669270385.db2.gz YQRAQUWXYOULNN-SFHVURJKSA-N 2 2 354.495 0.997 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCCCCCS(N)(=O)=O)C2)CC1 ZINC000827414397 669565717 /nfs/dbraw/zinc/56/57/17/669565717.db2.gz SUGLTQQCHSJUKC-OAHLLOKOSA-N 2 2 374.551 0.510 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCCCCCS(N)(=O)=O)C2)CC1 ZINC000827414397 669565723 /nfs/dbraw/zinc/56/57/23/669565723.db2.gz SUGLTQQCHSJUKC-OAHLLOKOSA-N 2 2 374.551 0.510 10 0 FCAELP CN(C(=O)[C@@H]1COC(=O)N1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000827685694 669590669 /nfs/dbraw/zinc/59/06/69/669590669.db2.gz ROBGVATWKZXACN-ARFHVFGLSA-N 2 2 352.479 0.890 10 0 FCAELP CN(C(=O)[C@@H]1COC(=O)N1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000827685694 669590673 /nfs/dbraw/zinc/59/06/73/669590673.db2.gz ROBGVATWKZXACN-ARFHVFGLSA-N 2 2 352.479 0.890 10 0 FCAELP CS(=O)(=O)c1ccc([C@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000843061183 670772802 /nfs/dbraw/zinc/77/28/02/670772802.db2.gz BLLRCUPWRMTQER-DOTOQJQBSA-N 2 2 356.488 0.560 10 0 FCAELP C[NH+](C)CCN1CC[N@H+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1=O ZINC000844377348 670921306 /nfs/dbraw/zinc/92/13/06/670921306.db2.gz WMRJGGXZZIFNAX-HNNXBMFYSA-N 2 2 354.495 0.949 10 0 FCAELP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1=O ZINC000844377348 670921309 /nfs/dbraw/zinc/92/13/09/670921309.db2.gz WMRJGGXZZIFNAX-HNNXBMFYSA-N 2 2 354.495 0.949 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)c1 ZINC000846252631 671095858 /nfs/dbraw/zinc/09/58/58/671095858.db2.gz AWHUHMDEPCQSSF-CQSZACIVSA-N 2 2 353.467 0.924 10 0 FCAELP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000852750185 671523146 /nfs/dbraw/zinc/52/31/46/671523146.db2.gz 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FCAELP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000861733482 671988769 /nfs/dbraw/zinc/98/87/69/671988769.db2.gz XVPOIJPLSRJVCB-VQISRLSMSA-N 2 2 354.401 0.632 10 0 FCAELP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000861733482 671988771 /nfs/dbraw/zinc/98/87/71/671988771.db2.gz XVPOIJPLSRJVCB-VQISRLSMSA-N 2 2 354.401 0.632 10 0 FCAELP C[NH2+]CCOCCN(C)C(=O)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000861750930 671990753 /nfs/dbraw/zinc/99/07/53/671990753.db2.gz XJWXYPHPMHFJBW-UHFFFAOYSA-N 2 2 352.435 0.018 10 0 FCAELP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000903786270 675973296 /nfs/dbraw/zinc/97/32/96/675973296.db2.gz XJLWIYCPBFUBFT-INIZCTEOSA-N 2 2 354.495 0.156 10 0 FCAELP Cc1cc([C@H]([NH3+])CC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc(Cl)n1 ZINC000863583100 672140298 /nfs/dbraw/zinc/14/02/98/672140298.db2.gz NDTVOLWVUQZMPJ-HUUCEWRRSA-N 2 2 370.881 0.585 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cn1ccc(Br)cc1=O ZINC000869243583 672426715 /nfs/dbraw/zinc/42/67/15/672426715.db2.gz RJSOYWOAQFBKMT-UHFFFAOYSA-N 2 2 373.295 0.611 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cn1ccc(Br)cc1=O ZINC000869243583 672426716 /nfs/dbraw/zinc/42/67/16/672426716.db2.gz RJSOYWOAQFBKMT-UHFFFAOYSA-N 2 2 373.295 0.611 10 0 FCAELP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923618800 672486014 /nfs/dbraw/zinc/48/60/14/672486014.db2.gz PWRBLADXQJEKFV-AEFFLSMTSA-N 2 2 366.531 0.869 10 0 FCAELP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872151639 672595053 /nfs/dbraw/zinc/59/50/53/672595053.db2.gz WXKITZBTFNXDSW-RHYQMDGZSA-N 2 2 350.385 0.168 10 0 FCAELP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872151639 672595059 /nfs/dbraw/zinc/59/50/59/672595059.db2.gz WXKITZBTFNXDSW-RHYQMDGZSA-N 2 2 350.385 0.168 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000925150237 673778059 /nfs/dbraw/zinc/77/80/59/673778059.db2.gz WCHRRENFJYMUBL-JKSUJKDBSA-N 2 2 356.536 0.930 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000925150237 673778060 /nfs/dbraw/zinc/77/80/60/673778060.db2.gz WCHRRENFJYMUBL-JKSUJKDBSA-N 2 2 356.536 0.930 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000925179089 673782544 /nfs/dbraw/zinc/78/25/44/673782544.db2.gz RSPIGQNHPXVNCY-CVEARBPZSA-N 3 2 357.568 0.749 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000925179089 673782546 /nfs/dbraw/zinc/78/25/46/673782546.db2.gz RSPIGQNHPXVNCY-CVEARBPZSA-N 3 2 357.568 0.749 10 0 FCAELP C[NH+](C)CCC[NH+](C)CCNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925179089 673782549 /nfs/dbraw/zinc/78/25/49/673782549.db2.gz RSPIGQNHPXVNCY-CVEARBPZSA-N 3 2 357.568 0.749 10 0 FCAELP C[NH+](C)CCC[NH+](C)CCNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000925179089 673782551 /nfs/dbraw/zinc/78/25/51/673782551.db2.gz RSPIGQNHPXVNCY-CVEARBPZSA-N 3 2 357.568 0.749 10 0 FCAELP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000927311106 673859016 /nfs/dbraw/zinc/85/90/16/673859016.db2.gz OEBSUVBEEDWBLD-GOOCMWNKSA-N 2 2 360.524 0.229 10 0 FCAELP CN(C)C(=O)CN(CC(F)(F)F)C(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000929281784 673947899 /nfs/dbraw/zinc/94/78/99/673947899.db2.gz CQHFKLAEBQKXFP-UHFFFAOYSA-N 2 2 366.428 0.739 10 0 FCAELP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000929745361 673974668 /nfs/dbraw/zinc/97/46/68/673974668.db2.gz OIOZKSFOLDYZLH-VHDGCEQUSA-N 2 2 352.504 0.035 10 0 FCAELP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000929745361 673974670 /nfs/dbraw/zinc/97/46/70/673974670.db2.gz OIOZKSFOLDYZLH-VHDGCEQUSA-N 2 2 352.504 0.035 10 0 FCAELP O=C(N[C@@H]1CC[NH+](C2CC2)C1)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000929745361 673974673 /nfs/dbraw/zinc/97/46/73/673974673.db2.gz OIOZKSFOLDYZLH-VHDGCEQUSA-N 2 2 352.504 0.035 10 0 FCAELP C[N@@H+]1CCC[C@@](O)(CC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000900334151 675674828 /nfs/dbraw/zinc/67/48/28/675674828.db2.gz HGWXAEUINCLLFV-IAGOWNOFSA-N 2 2 357.520 0.157 10 0 FCAELP C[N@H+]1CCC[C@@](O)(CC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000900334151 675674829 /nfs/dbraw/zinc/67/48/29/675674829.db2.gz HGWXAEUINCLLFV-IAGOWNOFSA-N 2 2 357.520 0.157 10 0 FCAELP CN(C(=O)C[C@]1(O)CCC[NH+](C)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900670708 675706097 /nfs/dbraw/zinc/70/60/97/675706097.db2.gz UAEUNAOOCPIKLS-PKOBYXMFSA-N 3 2 352.523 0.460 10 0 FCAELP CN(C(=O)C[C@]1(O)CCC[NH+](C)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900670708 675706098 /nfs/dbraw/zinc/70/60/98/675706098.db2.gz UAEUNAOOCPIKLS-PKOBYXMFSA-N 3 2 352.523 0.460 10 0 FCAELP CN(C(=O)C[C@]1(O)CCC[N@H+](C)C1)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000900670708 675706100 /nfs/dbraw/zinc/70/61/00/675706100.db2.gz UAEUNAOOCPIKLS-PKOBYXMFSA-N 3 2 352.523 0.460 10 0 FCAELP 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KMJOFBQNJWNVTO-QLFBSQMISA-N 2 2 369.510 0.387 10 0 FCAELP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(=O)NCC(C)C)[C@@H]1C)[NH+](C)C ZINC001489273794 1208750802 /nfs/dbraw/zinc/75/08/02/1208750802.db2.gz KMJOFBQNJWNVTO-QLFBSQMISA-N 2 2 369.510 0.387 10 0 FCAELP CC[C@H](C(=O)N[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1O)[NH+](CC)CC ZINC001489397648 1208816430 /nfs/dbraw/zinc/81/64/30/1208816430.db2.gz FFHBURDGTXJEQS-RBSFLKMASA-N 2 2 365.478 0.151 10 0 FCAELP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001489654087 1209040958 /nfs/dbraw/zinc/04/09/58/1209040958.db2.gz AUTJFYHPJIVACR-OWCLPIDISA-N 2 2 365.453 0.622 10 0 FCAELP Cn1cc[nH+]c1CCC(=O)N1C[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001490046042 1209226333 /nfs/dbraw/zinc/22/63/33/1209226333.db2.gz VJZXKWHNSQOZAD-CVEARBPZSA-N 2 2 361.490 0.611 10 0 FCAELP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C ZINC001490100572 1209258601 /nfs/dbraw/zinc/25/86/01/1209258601.db2.gz ZYGVDOCIFOSJEJ-MCIONIFRSA-N 2 2 353.442 0.738 10 0 FCAELP C[NH+](C)CCCC(=O)N1C[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001490224576 1209276640 /nfs/dbraw/zinc/27/66/40/1209276640.db2.gz QBSUSJRDJUXVKN-BEFAXECRSA-N 2 2 361.490 0.991 10 0 FCAELP C[NH+](C)CCCC(=O)N1C[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001490224576 1209276643 /nfs/dbraw/zinc/27/66/43/1209276643.db2.gz QBSUSJRDJUXVKN-BEFAXECRSA-N 2 2 361.490 0.991 10 0 FCAELP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001490304188 1209302742 /nfs/dbraw/zinc/30/27/42/1209302742.db2.gz GMSIIPXSQHJGRH-HZPDHXFCSA-N 2 2 361.490 0.659 10 0 FCAELP CCC[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH+]ccn1C)C2 ZINC001490677344 1209400782 /nfs/dbraw/zinc/40/07/82/1209400782.db2.gz XUIFNLPQSWSXPX-PMPSAXMXSA-N 2 2 361.490 0.943 10 0 FCAELP CCC[N@@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH+]ccn1C)C2 ZINC001490677344 1209400784 /nfs/dbraw/zinc/40/07/84/1209400784.db2.gz XUIFNLPQSWSXPX-PMPSAXMXSA-N 2 2 361.490 0.943 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000850595473 1209460552 /nfs/dbraw/zinc/46/05/52/1209460552.db2.gz AFICABXVXYYURW-UHFFFAOYSA-N 2 2 373.461 0.206 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000850595473 1209460558 /nfs/dbraw/zinc/46/05/58/1209460558.db2.gz AFICABXVXYYURW-UHFFFAOYSA-N 2 2 373.461 0.206 10 0 FCAELP Cc1nnnn1/C(=C/c1ccccc1)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855416124 1209669355 /nfs/dbraw/zinc/66/93/55/1209669355.db2.gz GWWPZVLFRGRJHO-OBGWFSINSA-N 2 2 371.489 0.979 10 0 FCAELP Cc1nnnn1/C(=C/c1ccccc1)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855416124 1209669360 /nfs/dbraw/zinc/66/93/60/1209669360.db2.gz GWWPZVLFRGRJHO-OBGWFSINSA-N 2 2 371.489 0.979 10 0 FCAELP CC[NH+]1CCN(c2ccc(CNC(=O)/C=C/C[NH+]3CCOCC3)cn2)CC1 ZINC000864895211 1209966979 /nfs/dbraw/zinc/96/69/79/1209966979.db2.gz HFPUKPAFCPAMFV-ONEGZZNKSA-N 2 2 373.501 0.728 10 0 FCAELP CO[C@@H](C(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000865727725 1209983392 /nfs/dbraw/zinc/98/33/92/1209983392.db2.gz GGRYPPSDBJYIAZ-HZPDHXFCSA-N 2 2 369.506 0.970 10 0 FCAELP CO[C@@H](C(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000865727725 1209983395 /nfs/dbraw/zinc/98/33/95/1209983395.db2.gz GGRYPPSDBJYIAZ-HZPDHXFCSA-N 2 2 369.506 0.970 10 0 FCAELP CO[C@@H]1CCn2cc(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)nc2C1 ZINC000865749304 1209983620 /nfs/dbraw/zinc/98/36/20/1209983620.db2.gz CPWUXFBBMKVJEL-GOEBONIOSA-N 2 2 361.490 0.743 10 0 FCAELP CO[C@@H]1CCn2cc(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)nc2C1 ZINC000865749304 1209983621 /nfs/dbraw/zinc/98/36/21/1209983621.db2.gz CPWUXFBBMKVJEL-GOEBONIOSA-N 2 2 361.490 0.743 10 0 FCAELP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000866546303 1209997778 /nfs/dbraw/zinc/99/77/78/1209997778.db2.gz UOCSOPQCIXUZEZ-CABCVRRESA-N 2 2 370.494 0.374 10 0 FCAELP O=C(C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)Nc1ccc2c(c1)CCC2 ZINC000866709137 1210002606 /nfs/dbraw/zinc/00/26/06/1210002606.db2.gz QJBFJOZIOJEWST-KURKYZTESA-N 2 2 370.453 0.981 10 0 FCAELP O=C(C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)Nc1ccc2c(c1)CCC2 ZINC000866709137 1210002609 /nfs/dbraw/zinc/00/26/09/1210002609.db2.gz QJBFJOZIOJEWST-KURKYZTESA-N 2 2 370.453 0.981 10 0 FCAELP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC[C@@H]21 ZINC000867586960 1210015826 /nfs/dbraw/zinc/01/58/26/1210015826.db2.gz PRFNASKDOUUZFA-OALUTQOASA-N 2 2 370.497 0.883 10 0 FCAELP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC[C@@H]21 ZINC000867586960 1210015831 /nfs/dbraw/zinc/01/58/31/1210015831.db2.gz PRFNASKDOUUZFA-OALUTQOASA-N 2 2 370.497 0.883 10 0 FCAELP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000867798456 1210029659 /nfs/dbraw/zinc/02/96/59/1210029659.db2.gz DLRAPEXDLSHQNN-NXHRZFHOSA-N 2 2 356.470 0.842 10 0 FCAELP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867798456 1210029661 /nfs/dbraw/zinc/02/96/61/1210029661.db2.gz DLRAPEXDLSHQNN-NXHRZFHOSA-N 2 2 356.470 0.842 10 0 FCAELP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3c4ccccc4C[N@H+]3C)CC[C@H]21 ZINC000867798456 1210029664 /nfs/dbraw/zinc/02/96/64/1210029664.db2.gz DLRAPEXDLSHQNN-NXHRZFHOSA-N 2 2 356.470 0.842 10 0 FCAELP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3c4ccccc4C[N@@H+]3C)CC[C@H]21 ZINC000867798456 1210029666 /nfs/dbraw/zinc/02/96/66/1210029666.db2.gz DLRAPEXDLSHQNN-NXHRZFHOSA-N 2 2 356.470 0.842 10 0 FCAELP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867798457 1210029851 /nfs/dbraw/zinc/02/98/51/1210029851.db2.gz DLRAPEXDLSHQNN-SZMVWBNQSA-N 2 2 356.470 0.842 10 0 FCAELP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867798457 1210029855 /nfs/dbraw/zinc/02/98/55/1210029855.db2.gz DLRAPEXDLSHQNN-SZMVWBNQSA-N 2 2 356.470 0.842 10 0 FCAELP C[NH+]1CC[C@H]2CN(C(=O)C(=O)NC[C@H]3c4ccccc4C[N@H+]3C)CC[C@@H]21 ZINC000867798457 1210029859 /nfs/dbraw/zinc/02/98/59/1210029859.db2.gz DLRAPEXDLSHQNN-SZMVWBNQSA-N 2 2 356.470 0.842 10 0 FCAELP C[NH+]1CC[C@H]2CN(C(=O)C(=O)NC[C@H]3c4ccccc4C[N@@H+]3C)CC[C@@H]21 ZINC000867798457 1210029863 /nfs/dbraw/zinc/02/98/63/1210029863.db2.gz DLRAPEXDLSHQNN-SZMVWBNQSA-N 2 2 356.470 0.842 10 0 FCAELP COC[C@]1(C(=O)NC[C@H]2C[N@H+](Cc3cccc(C)c3)CCO2)CC[NH2+]C1 ZINC000867997144 1210038581 /nfs/dbraw/zinc/03/85/81/1210038581.db2.gz CCGCZBDWWNTOBL-ICSRJNTNSA-N 2 2 361.486 0.938 10 0 FCAELP COC[C@]1(C(=O)NC[C@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)CC[NH2+]C1 ZINC000867997144 1210038585 /nfs/dbraw/zinc/03/85/85/1210038585.db2.gz CCGCZBDWWNTOBL-ICSRJNTNSA-N 2 2 361.486 0.938 10 0 FCAELP O=C(Nc1ccn2cc[nH+]c2c1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000868155387 1210042840 /nfs/dbraw/zinc/04/28/40/1210042840.db2.gz QXLGINXTMJMRQE-MCIONIFRSA-N 2 2 356.386 0.733 10 0 FCAELP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000868418121 1210064498 /nfs/dbraw/zinc/06/44/98/1210064498.db2.gz IWFWIRWTVWLELN-MOPGFXCFSA-N 2 2 370.497 0.992 10 0 FCAELP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000870979575 1210124169 /nfs/dbraw/zinc/12/41/69/1210124169.db2.gz PEIWMSIKKXNEQL-DLBZAZTESA-N 2 2 363.458 0.593 10 0 FCAELP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000870979575 1210124178 /nfs/dbraw/zinc/12/41/78/1210124178.db2.gz PEIWMSIKKXNEQL-DLBZAZTESA-N 2 2 363.458 0.593 10 0 FCAELP C[C@@]12C[NH+]([C@@H]3CC(=O)N(CCCO)C3=O)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000871602384 1210169305 /nfs/dbraw/zinc/16/93/05/1210169305.db2.gz RUFWPFGKGSIWPD-WAOWUJCRSA-N 2 2 371.481 0.950 10 0 FCAELP C[C@@]12C[NH+]([C@@H]3CC(=O)N(CCCO)C3=O)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000871602384 1210169312 /nfs/dbraw/zinc/16/93/12/1210169312.db2.gz RUFWPFGKGSIWPD-WAOWUJCRSA-N 2 2 371.481 0.950 10 0 FCAELP C[C@]12C[NH+](Cc3ccccc3)C[C@H]1C[N@@H+]([C@@H]1CC(=O)N(CCCO)C1=O)C2 ZINC000871602384 1210169322 /nfs/dbraw/zinc/16/93/22/1210169322.db2.gz RUFWPFGKGSIWPD-WAOWUJCRSA-N 2 2 371.481 0.950 10 0 FCAELP C[C@]12C[NH+](Cc3ccccc3)C[C@H]1C[N@H+]([C@@H]1CC(=O)N(CCCO)C1=O)C2 ZINC000871602384 1210169327 /nfs/dbraw/zinc/16/93/27/1210169327.db2.gz RUFWPFGKGSIWPD-WAOWUJCRSA-N 2 2 371.481 0.950 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC000923895688 1211457274 /nfs/dbraw/zinc/45/72/74/1211457274.db2.gz ZUVWFYFVLQMUDX-DLBZAZTESA-N 2 2 369.506 0.875 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC000923895688 1211457277 /nfs/dbraw/zinc/45/72/77/1211457277.db2.gz ZUVWFYFVLQMUDX-DLBZAZTESA-N 2 2 369.506 0.875 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)COC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000923895688 1211457279 /nfs/dbraw/zinc/45/72/79/1211457279.db2.gz ZUVWFYFVLQMUDX-DLBZAZTESA-N 2 2 369.506 0.875 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)COC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000923895688 1211457280 /nfs/dbraw/zinc/45/72/80/1211457280.db2.gz ZUVWFYFVLQMUDX-DLBZAZTESA-N 2 2 369.506 0.875 10 0 FCAELP C[C@@H]1[C@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC[N@@H+]1C ZINC000925319544 1211495960 /nfs/dbraw/zinc/49/59/60/1211495960.db2.gz JUTWHAAHQUIYTF-TZMCWYRMSA-N 2 2 358.450 0.288 10 0 FCAELP C[C@@H]1[C@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC[N@H+]1C ZINC000925319544 1211495969 /nfs/dbraw/zinc/49/59/69/1211495969.db2.gz JUTWHAAHQUIYTF-TZMCWYRMSA-N 2 2 358.450 0.288 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)N2CC[NH+](C)C[C@@H]2CNC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000925332035 1211496074 /nfs/dbraw/zinc/49/60/74/1211496074.db2.gz NBYQHVSHKOKFAP-ILXRZTDVSA-N 2 2 369.510 0.929 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)N2CC[NH+](C)C[C@@H]2CNC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000925332035 1211496077 /nfs/dbraw/zinc/49/60/77/1211496077.db2.gz NBYQHVSHKOKFAP-ILXRZTDVSA-N 2 2 369.510 0.929 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)CC[NH+]1C ZINC000925332035 1211496078 /nfs/dbraw/zinc/49/60/78/1211496078.db2.gz NBYQHVSHKOKFAP-ILXRZTDVSA-N 2 2 369.510 0.929 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)CC[NH+]1C ZINC000925332035 1211496080 /nfs/dbraw/zinc/49/60/80/1211496080.db2.gz NBYQHVSHKOKFAP-ILXRZTDVSA-N 2 2 369.510 0.929 10 0 FCAELP c1nc(N2CCC[C@H]([NH2+][C@H]3CN4C[C@@H]3CCC4)C2)cc(N2CCOCC2)[nH+]1 ZINC000925397269 1211498793 /nfs/dbraw/zinc/49/87/93/1211498793.db2.gz PINFOBAXOFZOFU-BZSNNMDCSA-N 2 2 372.517 0.966 10 0 FCAELP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000925609222 1211504581 /nfs/dbraw/zinc/50/45/81/1211504581.db2.gz QSNMZMSPVMETTK-KRWDZBQOSA-N 2 2 368.522 0.851 10 0 FCAELP O=C(C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926281685 1211525926 /nfs/dbraw/zinc/52/59/26/1211525926.db2.gz ANGMISKKTPFDOZ-IBGZPJMESA-N 2 2 357.458 0.475 10 0 FCAELP C[NH+]1CC[C@H]1CNC(=O)[C@@]1(c2ccccc2)C[C@H]1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928572026 1211605567 /nfs/dbraw/zinc/60/55/67/1211605567.db2.gz UVGUDWKGGMSNPR-RYLXDESZSA-N 2 2 370.497 0.585 10 0 FCAELP C[NH+]1CC[C@H]1CNC(=O)[C@@]1(c2ccccc2)C[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928572026 1211605569 /nfs/dbraw/zinc/60/55/69/1211605569.db2.gz UVGUDWKGGMSNPR-RYLXDESZSA-N 2 2 370.497 0.585 10 0 FCAELP C[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[C@@]1(C(=O)NC[C@@H]1CC[N@@H+]1C)c1ccccc1 ZINC000928572026 1211605572 /nfs/dbraw/zinc/60/55/72/1211605572.db2.gz UVGUDWKGGMSNPR-RYLXDESZSA-N 2 2 370.497 0.585 10 0 FCAELP C[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[C@@]1(C(=O)NC[C@@H]1CC[N@H+]1C)c1ccccc1 ZINC000928572026 1211605574 /nfs/dbraw/zinc/60/55/74/1211605574.db2.gz UVGUDWKGGMSNPR-RYLXDESZSA-N 2 2 370.497 0.585 10 0 FCAELP CCO[C@H](CNC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C)C[NH+](C)C ZINC000931150390 1211742836 /nfs/dbraw/zinc/74/28/36/1211742836.db2.gz SKOYOKIKGJUOLB-NVXWUHKLSA-N 2 2 362.474 0.372 10 0 FCAELP CCO[C@H](CNC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C)C[NH+](C)C ZINC000931150390 1211742838 /nfs/dbraw/zinc/74/28/38/1211742838.db2.gz SKOYOKIKGJUOLB-NVXWUHKLSA-N 2 2 362.474 0.372 10 0 FCAELP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000932035166 1211793317 /nfs/dbraw/zinc/79/33/17/1211793317.db2.gz UKPIQSIMGHJQEG-KSZLIROESA-N 2 2 369.506 0.435 10 0 FCAELP C[N@@H+]1CCC[C@@](O)(CC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000900014138 1217954852 /nfs/dbraw/zinc/95/48/52/1217954852.db2.gz VQTCVEQFDLWJAY-AZUAARDMSA-N 2 2 361.486 0.850 10 0 FCAELP C[N@H+]1CCC[C@@](O)(CC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000900014138 1217954857 /nfs/dbraw/zinc/95/48/57/1217954857.db2.gz VQTCVEQFDLWJAY-AZUAARDMSA-N 2 2 361.486 0.850 10 0 FCAELP C[NH+]1CCC[C@@](O)(CC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000900014138 1217954861 /nfs/dbraw/zinc/95/48/61/1217954861.db2.gz VQTCVEQFDLWJAY-AZUAARDMSA-N 2 2 361.486 0.850 10 0 FCAELP C[NH+]1CCC[C@@](O)(CC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000900014138 1217954866 /nfs/dbraw/zinc/95/48/66/1217954866.db2.gz VQTCVEQFDLWJAY-AZUAARDMSA-N 2 2 361.486 0.850 10 0 FCAELP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)cc2)CC1 ZINC000900209144 1217971633 /nfs/dbraw/zinc/97/16/33/1217971633.db2.gz PXWALAHPSRNKKN-CTNGQTDRSA-N 2 2 374.529 0.895 10 0 FCAELP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)cc2)CC1 ZINC000900209144 1217971639 /nfs/dbraw/zinc/97/16/39/1217971639.db2.gz PXWALAHPSRNKKN-CTNGQTDRSA-N 2 2 374.529 0.895 10 0 FCAELP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)cc2)CC1 ZINC000900412104 1217985994 /nfs/dbraw/zinc/98/59/94/1217985994.db2.gz HMKITPIDAHVRHX-FXAWDEMLSA-N 2 2 374.485 0.858 10 0 FCAELP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@]3(C)C[C@H](O)C[N@H+]3C)cc2)CC1 ZINC000900412104 1217986004 /nfs/dbraw/zinc/98/60/04/1217986004.db2.gz HMKITPIDAHVRHX-FXAWDEMLSA-N 2 2 374.485 0.858 10 0 FCAELP CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900657676 1218019711 /nfs/dbraw/zinc/01/97/11/1218019711.db2.gz AJGZMXLOBHQVKD-GOSISDBHSA-N 2 2 356.474 0.971 10 0 FCAELP CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900657676 1218019718 /nfs/dbraw/zinc/01/97/18/1218019718.db2.gz AJGZMXLOBHQVKD-GOSISDBHSA-N 2 2 356.474 0.971 10 0 FCAELP C/C(=C\C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)C[NH+]1CCOCC1 ZINC000901067767 1218073308 /nfs/dbraw/zinc/07/33/08/1218073308.db2.gz OAAHMHHYIRUXBW-KEWOFRHOSA-N 2 2 373.497 0.800 10 0 FCAELP C/C(=C\C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)C[NH+]1CCOCC1 ZINC000901067767 1218073313 /nfs/dbraw/zinc/07/33/13/1218073313.db2.gz OAAHMHHYIRUXBW-KEWOFRHOSA-N 2 2 373.497 0.800 10 0 FCAELP Cc1c(C[C@@H](C[NH3+])CN2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)cnn1C ZINC000903879301 1218559331 /nfs/dbraw/zinc/55/93/31/1218559331.db2.gz XSYLAOLTCUIZJQ-HOTGVXAUSA-N 2 2 362.522 0.131 10 0 FCAELP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCN3C(=O)N(CC(C)C)C[C@H]3C2)cnn1C ZINC000903918378 1218564706 /nfs/dbraw/zinc/56/47/06/1218564706.db2.gz XXWZKCUBVPMNSB-SJLPKXTDSA-N 2 2 362.522 0.924 10 0 FCAELP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCN3C(=O)N(CC(C)C)C[C@H]3C2)cnn1C ZINC000903918378 1218564712 /nfs/dbraw/zinc/56/47/12/1218564712.db2.gz XXWZKCUBVPMNSB-SJLPKXTDSA-N 2 2 362.522 0.924 10 0 FCAELP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1)C2=O ZINC000749973164 1219831736 /nfs/dbraw/zinc/83/17/36/1219831736.db2.gz XHGFLNNRVBIGNM-CYBMUJFWSA-N 2 2 366.462 0.624 10 0 FCAELP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1)C2=O ZINC000749973164 1219831737 /nfs/dbraw/zinc/83/17/37/1219831737.db2.gz XHGFLNNRVBIGNM-CYBMUJFWSA-N 2 2 366.462 0.624 10 0 FCAELP C[C@@H](CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)[NH2+]Cc1ccccn1 ZINC001491533908 1220153193 /nfs/dbraw/zinc/15/31/93/1220153193.db2.gz HNQTUHVJBWEKHF-JQHSSLGASA-N 2 2 362.474 0.556 10 0 FCAELP CCc1cc(NC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)no1 ZINC001116111487 1221337418 /nfs/dbraw/zinc/33/74/18/1221337418.db2.gz WBHZLRCHVJAWEK-UHFFFAOYSA-N 2 2 363.462 0.850 10 0 FCAELP CCN(C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC001118323533 1221759407 /nfs/dbraw/zinc/75/94/07/1221759407.db2.gz CMORWMHUHCSHPG-QGZVFWFLSA-N 2 2 368.522 0.498 10 0 FCAELP CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC001118323533 1221759413 /nfs/dbraw/zinc/75/94/13/1221759413.db2.gz CMORWMHUHCSHPG-QGZVFWFLSA-N 2 2 368.522 0.498 10 0 FCAELP CC[NH+]1CCN(C(=O)C(=O)N(C(C)=O)c2cccc3c2C[NH2+]CC3)CC1 ZINC001118958517 1221850499 /nfs/dbraw/zinc/85/04/99/1221850499.db2.gz IIDNFYRPWKGTRL-UHFFFAOYSA-N 2 2 358.442 0.376 10 0 FCAELP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C3(C[NH3+])CC(O)C3)c2)CC1 ZINC001122049527 1222236416 /nfs/dbraw/zinc/23/64/16/1222236416.db2.gz JEAVIWBCFBLEGN-UHFFFAOYSA-N 2 2 360.458 0.389 10 0 FCAELP COc1cc(C[NH+]2CC(C)(C(N)=O)C2)cc(C[NH+]2CC(C)(C(N)=O)C2)c1 ZINC000829075185 1222428000 /nfs/dbraw/zinc/42/80/00/1222428000.db2.gz INLXLXMWFJVHPL-UHFFFAOYSA-N 2 2 360.458 0.310 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](OC(=O)N(C)C)C2)C1 ZINC000830486941 1222475203 /nfs/dbraw/zinc/47/52/03/1222475203.db2.gz LABIDNKTBJAGFD-HOTGVXAUSA-N 2 2 370.494 0.232 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](OC(=O)N(C)C)C2)C1 ZINC000830486941 1222475207 /nfs/dbraw/zinc/47/52/07/1222475207.db2.gz LABIDNKTBJAGFD-HOTGVXAUSA-N 2 2 370.494 0.232 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@H](OC(=O)N(C)C)C2)C1 ZINC000830486941 1222475211 /nfs/dbraw/zinc/47/52/11/1222475211.db2.gz LABIDNKTBJAGFD-HOTGVXAUSA-N 2 2 370.494 0.232 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@H](OC(=O)N(C)C)C2)C1 ZINC000830486941 1222475213 /nfs/dbraw/zinc/47/52/13/1222475213.db2.gz LABIDNKTBJAGFD-HOTGVXAUSA-N 2 2 370.494 0.232 10 0 FCAELP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000842203880 1222841426 /nfs/dbraw/zinc/84/14/26/1222841426.db2.gz YFQHVLBETHFMSB-XLIONFOSSA-N 2 2 356.470 0.891 10 0 FCAELP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000842203880 1222841427 /nfs/dbraw/zinc/84/14/27/1222841427.db2.gz YFQHVLBETHFMSB-XLIONFOSSA-N 2 2 356.470 0.891 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848935300 1245388725 /nfs/dbraw/zinc/38/87/25/1245388725.db2.gz KUISPRWOBVPAMR-NQNKBUKLSA-N 2 2 368.522 0.589 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848935300 1245388728 /nfs/dbraw/zinc/38/87/28/1245388728.db2.gz KUISPRWOBVPAMR-NQNKBUKLSA-N 2 2 368.522 0.589 10 0 FCAELP [NH2+]=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1CCCO1 ZINC000849012838 1245391182 /nfs/dbraw/zinc/39/11/82/1245391182.db2.gz KUYRPUXWVCRIDN-HNNXBMFYSA-N 2 2 360.462 0.413 10 0 FCAELP Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCC[NH+]2CCOCC2(C)C)cn1 ZINC000849521175 1245398515 /nfs/dbraw/zinc/39/85/15/1245398515.db2.gz QSLMYBCCDCKVSO-IAGOWNOFSA-N 2 2 363.506 0.682 10 0 FCAELP Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)NCC[NH+]2CCOCC2(C)C)cn1 ZINC000849521175 1245398520 /nfs/dbraw/zinc/39/85/20/1245398520.db2.gz QSLMYBCCDCKVSO-IAGOWNOFSA-N 2 2 363.506 0.682 10 0 FCAELP Cn1cc([C@H]2C[NH+](C)CC[C@H]2C(=O)NCC[N@@H+]2CCOCC2(C)C)cn1 ZINC000849521175 1245398526 /nfs/dbraw/zinc/39/85/26/1245398526.db2.gz QSLMYBCCDCKVSO-IAGOWNOFSA-N 2 2 363.506 0.682 10 0 FCAELP Cn1cc([C@H]2C[NH+](C)CC[C@H]2C(=O)NCC[N@H+]2CCOCC2(C)C)cn1 ZINC000849521175 1245398531 /nfs/dbraw/zinc/39/85/31/1245398531.db2.gz QSLMYBCCDCKVSO-IAGOWNOFSA-N 2 2 363.506 0.682 10 0 FCAELP C[C@H]([C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)[NH+]1CCOCC1 ZINC000849521946 1245398861 /nfs/dbraw/zinc/39/88/61/1245398861.db2.gz HXYWRSKVXKKMDI-BURFUSLBSA-N 2 2 363.506 0.681 10 0 FCAELP C[C@H]([C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)[NH+]1CCOCC1 ZINC000849521946 1245398867 /nfs/dbraw/zinc/39/88/67/1245398867.db2.gz HXYWRSKVXKKMDI-BURFUSLBSA-N 2 2 363.506 0.681 10 0 FCAELP C/C(=C\C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000901273108 1245475738 /nfs/dbraw/zinc/47/57/38/1245475738.db2.gz OUZPDRJVCKGCEZ-VYFKROBPSA-N 2 2 364.534 0.749 10 0 FCAELP COC(=O)C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H]1C ZINC000918905686 1245588381 /nfs/dbraw/zinc/58/83/81/1245588381.db2.gz HEAHVBFHTFUHHF-OAGGEKHMSA-N 2 2 366.506 0.996 10 0 FCAELP COC(=O)C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H]1C ZINC000918905686 1245588384 /nfs/dbraw/zinc/58/83/84/1245588384.db2.gz HEAHVBFHTFUHHF-OAGGEKHMSA-N 2 2 366.506 0.996 10 0 FCAELP O=C(N1CC[NH2+]CC1)N1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000923398639 1245714172 /nfs/dbraw/zinc/71/41/72/1245714172.db2.gz MSGXEYVHUYDNLH-MRXNPFEDSA-N 2 2 366.437 0.208 10 0 FCAELP O=C(CCN1CCC[C@@H]([NH2+]CCO)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000923405722 1245716638 /nfs/dbraw/zinc/71/66/38/1245716638.db2.gz IDTBKQXFMOMHFH-QGZVFWFLSA-N 2 2 361.490 0.167 10 0 FCAELP [NH3+][C@]1(CO)CCC[N@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000923478833 1245723662 /nfs/dbraw/zinc/72/36/62/1245723662.db2.gz SMBFXUVHIIJIKP-LJQANCHMSA-N 2 2 364.465 0.650 10 0 FCAELP [NH3+][C@]1(CO)CCC[N@@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000923478833 1245723669 /nfs/dbraw/zinc/72/36/69/1245723669.db2.gz SMBFXUVHIIJIKP-LJQANCHMSA-N 2 2 364.465 0.650 10 0 FCAELP C[NH+](C)CCN1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)CC1=O ZINC001329744441 1265828669 /nfs/dbraw/zinc/82/86/69/1265828669.db2.gz DISWBLQPGYFBNL-GOSISDBHSA-N 2 2 373.501 0.669 10 0 FCAELP C[NH+](C)CCN1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)CC1=O ZINC001329744441 1265828680 /nfs/dbraw/zinc/82/86/80/1265828680.db2.gz DISWBLQPGYFBNL-GOSISDBHSA-N 2 2 373.501 0.669 10 0 FCAELP CCN(C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCOC1 ZINC001329811026 1265858414 /nfs/dbraw/zinc/85/84/14/1265858414.db2.gz PJYYEIQRYFNQHG-RDJZCZTQSA-N 2 2 366.506 0.299 10 0 FCAELP CCN(C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCOC1 ZINC001329811026 1265858421 /nfs/dbraw/zinc/85/84/21/1265858421.db2.gz PJYYEIQRYFNQHG-RDJZCZTQSA-N 2 2 366.506 0.299 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001329999286 1265920044 /nfs/dbraw/zinc/92/00/44/1265920044.db2.gz BNZRWCYBMPCOKA-NRKLIOEPSA-N 2 2 368.522 0.589 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001329999286 1265920056 /nfs/dbraw/zinc/92/00/56/1265920056.db2.gz BNZRWCYBMPCOKA-NRKLIOEPSA-N 2 2 368.522 0.589 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1C(C)(C)C1(F)F ZINC001330772472 1266096206 /nfs/dbraw/zinc/09/62/06/1266096206.db2.gz PMJGPDUXQNFEHU-AWEZNQCLSA-N 2 2 374.476 0.878 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1C(C)(C)C1(F)F ZINC001330772472 1266096218 /nfs/dbraw/zinc/09/62/18/1266096218.db2.gz PMJGPDUXQNFEHU-AWEZNQCLSA-N 2 2 374.476 0.878 10 0 FCAELP C[NH+](C)CCCC(=O)N1C[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC001521675573 1266162448 /nfs/dbraw/zinc/16/24/48/1266162448.db2.gz MUCKPUGQVACYFF-HNAYVOBHSA-N 2 2 361.490 0.991 10 0 FCAELP CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001521954296 1266258207 /nfs/dbraw/zinc/25/82/07/1266258207.db2.gz XKPZCSZWHDEWRV-HZPDHXFCSA-N 2 2 363.506 0.905 10 0 FCAELP CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001521954296 1266258213 /nfs/dbraw/zinc/25/82/13/1266258213.db2.gz XKPZCSZWHDEWRV-HZPDHXFCSA-N 2 2 363.506 0.905 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2noc3c2COCC3)CC[N@@H+]1C ZINC001331712884 1266270961 /nfs/dbraw/zinc/27/09/61/1266270961.db2.gz VFLHEOTVCNUBAS-HEHGZKQESA-N 2 2 366.462 0.044 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2noc3c2COCC3)CC[N@H+]1C ZINC001331712884 1266270967 /nfs/dbraw/zinc/27/09/67/1266270967.db2.gz VFLHEOTVCNUBAS-HEHGZKQESA-N 2 2 366.462 0.044 10 0 FCAELP O=C(C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)NCc1ccco1 ZINC001265986516 1260421994 /nfs/dbraw/zinc/42/19/94/1260421994.db2.gz HEPNTUVTSUOBMJ-NUEKZKHPSA-N 2 2 371.441 0.861 10 0 FCAELP 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C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](CNC(=O)CCn3cc[nH+]c3)[C@H](C)C2)C1 ZINC001282500223 1261490065 /nfs/dbraw/zinc/49/00/65/1261490065.db2.gz JEJMHISWJCSCGU-BRWVUGGUSA-N 2 2 361.490 0.826 10 0 FCAELP C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CC(=O)N(C)CC1CC1 ZINC001283676906 1261699475 /nfs/dbraw/zinc/69/94/75/1261699475.db2.gz FHVZDYVIDGRGFV-FVQBIDKESA-N 2 2 361.490 0.829 10 0 FCAELP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)[NH+](C)C ZINC001284097355 1261732069 /nfs/dbraw/zinc/73/20/69/1261732069.db2.gz MMCADSFBZYNHCD-YCCFLXJFSA-N 2 2 361.490 0.873 10 0 FCAELP CC1(C)CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@@H]1[NH2+]CCCO ZINC001284310929 1261747761 /nfs/dbraw/zinc/74/77/61/1261747761.db2.gz UWXHJWOXWBOCRU-IKGGRYGDSA-N 2 2 369.506 0.075 10 0 FCAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001285882890 1261883295 /nfs/dbraw/zinc/88/32/95/1261883295.db2.gz DDLHAQNXYMAZSP-NUEKZKHPSA-N 2 2 361.490 0.971 10 0 FCAELP 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COC[C@H](O)C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCCCC1 ZINC001485455547 1263508290 /nfs/dbraw/zinc/50/82/90/1263508290.db2.gz OAGWIBJGVSUDBT-BZUAXINKSA-N 2 2 364.490 0.940 10 0 FCAELP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CC(=O)Nc1cnccn1 ZINC001317396742 1263510776 /nfs/dbraw/zinc/51/07/76/1263510776.db2.gz PLGQVWJCHBJTLW-YNEHKIRRSA-N 2 2 357.418 0.426 10 0 FCAELP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CC(=O)Nc1cnccn1 ZINC001317396742 1263510783 /nfs/dbraw/zinc/51/07/83/1263510783.db2.gz PLGQVWJCHBJTLW-YNEHKIRRSA-N 2 2 357.418 0.426 10 0 FCAELP CN(CC[NH2+]CC1CCOCC1)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001317613665 1263518784 /nfs/dbraw/zinc/51/87/84/1263518784.db2.gz RVYQYMGEDVJMGY-MSOLQXFVSA-N 2 2 369.506 0.341 10 0 FCAELP CC(C)N(CC[N@@H+](C)C[C@H](C)O)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001486372978 1263536767 /nfs/dbraw/zinc/53/67/67/1263536767.db2.gz NFYALUOXKJNPOF-KSZLIROESA-N 2 2 371.522 0.416 10 0 FCAELP CC(C)N(CC[N@H+](C)C[C@H](C)O)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001486372978 1263536772 /nfs/dbraw/zinc/53/67/72/1263536772.db2.gz NFYALUOXKJNPOF-KSZLIROESA-N 2 2 371.522 0.416 10 0 FCAELP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC([NH2+]CCCS(C)(=O)=O)C1 ZINC001486467487 1263538330 /nfs/dbraw/zinc/53/83/30/1263538330.db2.gz RFCDROJXISKSRF-NWINJMCUSA-N 2 2 354.476 0.527 10 0 FCAELP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC([NH2+]CCCS(C)(=O)=O)C1 ZINC001486467487 1263538336 /nfs/dbraw/zinc/53/83/36/1263538336.db2.gz RFCDROJXISKSRF-NWINJMCUSA-N 2 2 354.476 0.527 10 0 FCAELP CC[NH+](CC)CC(=O)N1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001491963045 1263629649 /nfs/dbraw/zinc/62/96/49/1263629649.db2.gz HOSALEOCQQSLFX-ARFHVFGLSA-N 2 2 361.490 0.925 10 0 FCAELP CC(C)[N@H+](C)CC(=O)N[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC001493699937 1263737627 /nfs/dbraw/zinc/73/76/27/1263737627.db2.gz GKQXYEIRYFXCKI-BZUAXINKSA-N 2 2 361.490 0.875 10 0 FCAELP CC(C)[N@@H+](C)CC(=O)N[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC001493699937 1263737631 /nfs/dbraw/zinc/73/76/31/1263737631.db2.gz GKQXYEIRYFXCKI-BZUAXINKSA-N 2 2 361.490 0.875 10 0 FCAELP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001494317482 1263765040 /nfs/dbraw/zinc/76/50/40/1263765040.db2.gz DFGQJTBWGXZMOF-SOUVJXGZSA-N 2 2 367.494 0.143 10 0 FCAELP CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001494317482 1263765042 /nfs/dbraw/zinc/76/50/42/1263765042.db2.gz DFGQJTBWGXZMOF-SOUVJXGZSA-N 2 2 367.494 0.143 10 0 FCAELP CCNC(=O)NC(=O)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001494317482 1263765045 /nfs/dbraw/zinc/76/50/45/1263765045.db2.gz DFGQJTBWGXZMOF-SOUVJXGZSA-N 2 2 367.494 0.143 10 0 FCAELP CCNC(=O)NC(=O)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001494317482 1263765054 /nfs/dbraw/zinc/76/50/54/1263765054.db2.gz DFGQJTBWGXZMOF-SOUVJXGZSA-N 2 2 367.494 0.143 10 0 FCAELP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](CC3(CS(C)(=O)=O)CC3)C2)CC[N@@H+]1C ZINC001494827593 1263787148 /nfs/dbraw/zinc/78/71/48/1263787148.db2.gz NGGHHGYJMJJIID-OWCLPIDISA-N 2 2 371.547 0.684 10 0 FCAELP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](CC3(CS(C)(=O)=O)CC3)C2)CC[N@H+]1C ZINC001494827593 1263787156 /nfs/dbraw/zinc/78/71/56/1263787156.db2.gz NGGHHGYJMJJIID-OWCLPIDISA-N 2 2 371.547 0.684 10 0 FCAELP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@H+](CC3(CS(C)(=O)=O)CC3)C2)CC[NH+]1C ZINC001494827593 1263787169 /nfs/dbraw/zinc/78/71/69/1263787169.db2.gz NGGHHGYJMJJIID-OWCLPIDISA-N 2 2 371.547 0.684 10 0 FCAELP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CC3(CS(C)(=O)=O)CC3)C2)CC[NH+]1C ZINC001494827593 1263787181 /nfs/dbraw/zinc/78/71/81/1263787181.db2.gz NGGHHGYJMJJIID-OWCLPIDISA-N 2 2 371.547 0.684 10 0 FCAELP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CCn1nc(C)nc1C ZINC001495058881 1263795393 /nfs/dbraw/zinc/79/53/93/1263795393.db2.gz DXGKEXPDJZIUNA-BZUAXINKSA-N 2 2 359.478 0.917 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]Cc3nnc4n3CCOC4)CC2)CC[N@@H+]1C ZINC001499231315 1264016183 /nfs/dbraw/zinc/01/61/83/1264016183.db2.gz ZPEWSDMKGGHTMS-UONOGXRCSA-N 2 2 362.478 0.277 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]Cc3nnc4n3CCOC4)CC2)CC[N@H+]1C ZINC001499231315 1264016192 /nfs/dbraw/zinc/01/61/92/1264016192.db2.gz ZPEWSDMKGGHTMS-UONOGXRCSA-N 2 2 362.478 0.277 10 0 FCAELP O=C(N[C@H]1CC[C@H](C[NH2+]CCO)CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001501705611 1264143218 /nfs/dbraw/zinc/14/32/18/1264143218.db2.gz YOOKJDSBFPAUFS-TVFCKZIOSA-N 2 2 369.506 0.123 10 0 FCAELP CC(C)(C)NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC001502057654 1264159611 /nfs/dbraw/zinc/15/96/11/1264159611.db2.gz DWNPQGSPAQLRJV-BFHYXJOUSA-N 2 2 363.462 0.245 10 0 FCAELP COCCCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001502573209 1264177673 /nfs/dbraw/zinc/17/76/73/1264177673.db2.gz KMNHYLQGXZGZSX-RKVPGOIHSA-N 2 2 350.463 0.883 10 0 FCAELP COCCCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001502573209 1264177675 /nfs/dbraw/zinc/17/76/75/1264177675.db2.gz KMNHYLQGXZGZSX-RKVPGOIHSA-N 2 2 350.463 0.883 10 0 FCAELP COCCCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001502589772 1264179024 /nfs/dbraw/zinc/17/90/24/1264179024.db2.gz XPFUBEWLHXRSBS-MDZRGWNJSA-N 2 2 364.490 0.893 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2csnc2OC)CC[N@@H+]1C ZINC001507198500 1264354050 /nfs/dbraw/zinc/35/40/50/1264354050.db2.gz WYPKQIDFDREYDY-MELADBBJSA-N 2 2 356.492 0.449 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2csnc2OC)CC[N@H+]1C ZINC001507198500 1264354060 /nfs/dbraw/zinc/35/40/60/1264354060.db2.gz WYPKQIDFDREYDY-MELADBBJSA-N 2 2 356.492 0.449 10 0 FCAELP CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1[NH2+]CC(=O)NCC1CC1 ZINC001507434779 1264362765 /nfs/dbraw/zinc/36/27/65/1264362765.db2.gz CORZGDXOSBCOIW-FMKPAKJESA-N 2 2 359.474 0.866 10 0 FCAELP Cc1nn(C)cc1C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001507505506 1264369331 /nfs/dbraw/zinc/36/93/31/1264369331.db2.gz UIPPTUNTOGEBNT-BZUAXINKSA-N 2 2 360.462 0.175 10 0 FCAELP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001510380755 1264496850 /nfs/dbraw/zinc/49/68/50/1264496850.db2.gz OGVUGDYOWQTCCH-INMHGKMJSA-N 2 2 371.485 0.962 10 0 FCAELP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001510380755 1264496856 /nfs/dbraw/zinc/49/68/56/1264496856.db2.gz OGVUGDYOWQTCCH-INMHGKMJSA-N 2 2 371.485 0.962 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)CCc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC001511553602 1264555213 /nfs/dbraw/zinc/55/52/13/1264555213.db2.gz KAPWDBPAGBUHAP-QLFBSQMISA-N 2 2 365.478 0.008 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)CCc2[nH]cc[nH+]2)CC[N@H+]1C ZINC001511553602 1264555220 /nfs/dbraw/zinc/55/52/20/1264555220.db2.gz KAPWDBPAGBUHAP-QLFBSQMISA-N 2 2 365.478 0.008 10 0 FCAELP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001513231356 1264979138 /nfs/dbraw/zinc/97/91/38/1264979138.db2.gz OWBQXCREMKSJKJ-KBRIMQKVSA-N 2 2 359.474 0.647 10 0 FCAELP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001513231356 1264979143 /nfs/dbraw/zinc/97/91/43/1264979143.db2.gz OWBQXCREMKSJKJ-KBRIMQKVSA-N 2 2 359.474 0.647 10 0 FCAELP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001513285663 1265018038 /nfs/dbraw/zinc/01/80/38/1265018038.db2.gz AJJLBBKIWMSZPP-BZUAXINKSA-N 2 2 361.490 0.750 10 0 FCAELP CC[C@H](C(=O)N[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1OC)[NH+](C)C ZINC001513400326 1265099588 /nfs/dbraw/zinc/09/95/88/1265099588.db2.gz JVECVPYWXSGJTR-RBSFLKMASA-N 2 2 351.451 0.025 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(-n2cncn2)cc1 ZINC001327243657 1265262930 /nfs/dbraw/zinc/26/29/30/1265262930.db2.gz PPIMXVPCDAOYIZ-UHFFFAOYSA-N 2 2 373.461 0.206 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(-n2cncn2)cc1 ZINC001327243657 1265262935 /nfs/dbraw/zinc/26/29/35/1265262935.db2.gz PPIMXVPCDAOYIZ-UHFFFAOYSA-N 2 2 373.461 0.206 10 0 FCAELP C[NH+](C)CCOCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001522286387 1266466708 /nfs/dbraw/zinc/46/67/08/1266466708.db2.gz GXMSUMCCSGYXSR-OAGGEKHMSA-N 2 2 363.462 0.169 10 0 FCAELP C[NH+](C)CCOCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001522286387 1266466714 /nfs/dbraw/zinc/46/67/14/1266466714.db2.gz GXMSUMCCSGYXSR-OAGGEKHMSA-N 2 2 363.462 0.169 10 0 FCAELP CNC(=O)NC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)(C)C ZINC001332805120 1266481040 /nfs/dbraw/zinc/48/10/40/1266481040.db2.gz DYXMXADREGASHE-NQBHXWOUSA-N 2 2 364.450 0.089 10 0 FCAELP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC001333611472 1266649335 /nfs/dbraw/zinc/64/93/35/1266649335.db2.gz OBBNWHVFDVFOMY-JXFKEZNVSA-N 2 2 373.501 0.946 10 0 FCAELP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC001333611473 1266650388 /nfs/dbraw/zinc/65/03/88/1266650388.db2.gz OBBNWHVFDVFOMY-OXJNMPFZSA-N 2 2 373.501 0.946 10 0 FCAELP C[NH+]1CC(N2CCN(C(=O)[C@H](c3ccccc3)[NH+]3CCC(O)CC3)CC2)C1 ZINC001528976440 1267015641 /nfs/dbraw/zinc/01/56/41/1267015641.db2.gz GYZMCRBEQQCHLR-FQEVSTJZSA-N 2 2 372.513 0.643 10 0 FCAELP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)NC(=O)C1CC[NH+](C)CC1 ZINC001531495821 1267137538 /nfs/dbraw/zinc/13/75/38/1267137538.db2.gz FPZSARDDTADKFY-BZUAXINKSA-N 2 2 361.490 0.876 10 0 FCAELP CC[C@H](C(=O)NC[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH+](C)C ZINC001532030975 1267158027 /nfs/dbraw/zinc/15/80/27/1267158027.db2.gz FZPROOHQBXKECM-KLHDSHLOSA-N 2 2 361.490 0.971 10 0 FCAELP Cn1cc([C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C[C@H]3c3cnn(C)c3)CC[NH2+]2)cn1 ZINC001335074953 1267317322 /nfs/dbraw/zinc/31/73/22/1267317322.db2.gz CBNYUBRLRWRJDD-BZSNNMDCSA-N 2 2 371.489 0.362 10 0 FCAELP Cn1cc([C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C[C@H]3c3cnn(C)c3)CC[NH2+]2)cn1 ZINC001335074953 1267317331 /nfs/dbraw/zinc/31/73/31/1267317331.db2.gz CBNYUBRLRWRJDD-BZSNNMDCSA-N 2 2 371.489 0.362 10 0 FCAELP CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](CO)c2c[nH+]cn2C)[C@H](c2cnn(C)c2)C1 ZINC001339005819 1268146162 /nfs/dbraw/zinc/14/61/62/1268146162.db2.gz KMKLUNRRVLBKDZ-ULQDDVLXSA-N 2 2 374.489 0.817 10 0 FCAELP CC(C)[N@H+]1CC[C@H](C(=O)N[C@@H](CO)c2c[nH+]cn2C)[C@H](c2cnn(C)c2)C1 ZINC001339005819 1268146166 /nfs/dbraw/zinc/14/61/66/1268146166.db2.gz KMKLUNRRVLBKDZ-ULQDDVLXSA-N 2 2 374.489 0.817 10 0 FCAELP CCC[N@H+](C)CC(=O)NC1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001339295790 1268205915 /nfs/dbraw/zinc/20/59/15/1268205915.db2.gz HCVHVOMWYHKDIN-QDIHITRGSA-N 2 2 361.490 0.971 10 0 FCAELP CCC[N@@H+](C)CC(=O)NC1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001339295790 1268205923 /nfs/dbraw/zinc/20/59/23/1268205923.db2.gz HCVHVOMWYHKDIN-QDIHITRGSA-N 2 2 361.490 0.971 10 0 FCAELP Cn1ccn2c(C[NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)nnc2c1=O ZINC001340065338 1268422919 /nfs/dbraw/zinc/42/29/19/1268422919.db2.gz SOAJYWTYOJHTJL-KUHUBIRLSA-N 2 2 366.425 0.774 10 0 FCAELP CC(C)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001342134216 1269363240 /nfs/dbraw/zinc/36/32/40/1269363240.db2.gz FRRSYXCBULMRII-HZPDHXFCSA-N 2 2 350.507 0.776 10 0 FCAELP CC(C)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001342134216 1269363251 /nfs/dbraw/zinc/36/32/51/1269363251.db2.gz FRRSYXCBULMRII-HZPDHXFCSA-N 2 2 350.507 0.776 10 0 FCAELP CCCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001565900395 1269511700 /nfs/dbraw/zinc/51/17/00/1269511700.db2.gz KOBCJCBFFDPOET-ARFHVFGLSA-N 2 2 361.490 0.846 10 0 FCAELP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+][C@H](C)C(=O)NC1CC1 ZINC001565957107 1269531397 /nfs/dbraw/zinc/53/13/97/1269531397.db2.gz YODDIAMNUJTHML-IIAWOOMASA-N 2 2 363.462 0.003 10 0 FCAELP 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C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CCOCC3CCC3)CCO2)CC[NH+]1C ZINC001270650645 859811926 /nfs/dbraw/zinc/81/19/26/859811926.db2.gz MFOZAVWOODAAHP-KBAYOESNSA-N 2 2 353.507 0.960 10 0 FCAELP CCOCCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001281612938 863538326 /nfs/dbraw/zinc/53/83/26/863538326.db2.gz LCYKMZZOKXSHFO-HUUCEWRRSA-N 2 2 350.463 0.883 10 0 FCAELP CCOCCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001281612938 863538338 /nfs/dbraw/zinc/53/83/38/863538338.db2.gz LCYKMZZOKXSHFO-HUUCEWRRSA-N 2 2 350.463 0.883 10 0 FCAELP CC(C)[NH+]1CCN(CCCC(=O)N2CCN(C3C[NH+](C)C3)CC2)CC1 ZINC001349326869 866306642 /nfs/dbraw/zinc/30/66/42/866306642.db2.gz DJFDXJBNBHIWHI-UHFFFAOYSA-N 2 2 351.539 0.251 10 0 FCAELP C[C@@H]1CCCN(C(=O)CCNC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC001351579847 866906388 /nfs/dbraw/zinc/90/63/88/866906388.db2.gz XQWZRKWKPPDYBL-MRXNPFEDSA-N 2 2 355.527 0.818 10 0 FCAELP C[C@@H]1CCCN(C(=O)CCNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC001351579847 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368.547 0.624 10 0 FCAELP CN(C(=O)C(=O)N[C@H]1CSC1(C)C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001343847302 870634045 /nfs/dbraw/zinc/63/40/45/870634045.db2.gz XJQNATLUNZPNOQ-CABCVRRESA-N 2 2 368.547 0.624 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NC3CC(C)(C)C3)CC2)CC1 ZINC001327990077 871173252 /nfs/dbraw/zinc/17/32/52/871173252.db2.gz VMVJPXSSZXZNAM-UHFFFAOYSA-N 2 2 350.507 0.966 10 0 FCAELP C[C@@H](NC(=O)N1CCOC2(CC[NH+](C)CC2)C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001348265179 872650106 /nfs/dbraw/zinc/65/01/06/872650106.db2.gz UKEZKUODFGYWCQ-CVEARBPZSA-N 2 2 353.511 0.127 10 0 FCAELP C[C@@H](NC(=O)N1CCOC2(CC[NH+](C)CC2)C1)[C@@H]1CN(C)CC[N@H+]1C ZINC001348265179 872650113 /nfs/dbraw/zinc/65/01/13/872650113.db2.gz UKEZKUODFGYWCQ-CVEARBPZSA-N 2 2 353.511 0.127 10 0 FCAELP CS(=O)(=O)[C@@H]1C[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C[C@H]1C(F)(F)F ZINC001333143985 873821453 /nfs/dbraw/zinc/82/14/53/873821453.db2.gz HBYXSKRNJJJSHR-QJPTWQEYSA-N 2 2 371.425 0.091 10 0 FCAELP CS(=O)(=O)[C@@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C[C@H]1C(F)(F)F ZINC001333143985 873821463 /nfs/dbraw/zinc/82/14/63/873821463.db2.gz HBYXSKRNJJJSHR-QJPTWQEYSA-N 2 2 371.425 0.091 10 0 FCAELP O[C@@H]1COCC[NH+](Cc2cc(C[N@H+]3CCOC[C@@H](O)C3)ccc2F)C1 ZINC000295792039 214318450 /nfs/dbraw/zinc/31/84/50/214318450.db2.gz ZOCRNSDUYRFLBK-IRXDYDNUSA-N 2 2 354.422 0.212 10 0 FCAELP O[C@@H]1COCC[NH+](Cc2cc(C[N@@H+]3CCOC[C@@H](O)C3)ccc2F)C1 ZINC000295792039 214318455 /nfs/dbraw/zinc/31/84/55/214318455.db2.gz ZOCRNSDUYRFLBK-IRXDYDNUSA-N 2 2 354.422 0.212 10 0 FCAELP O[C@@H]1COCC[NH+](Cc2ccc(F)c(C[N@@H+]3CCOC[C@@H](O)C3)c2)C1 ZINC000295792039 214318458 /nfs/dbraw/zinc/31/84/58/214318458.db2.gz ZOCRNSDUYRFLBK-IRXDYDNUSA-N 2 2 354.422 0.212 10 0 FCAELP O[C@@H]1COCC[NH+](Cc2ccc(F)c(C[N@H+]3CCOC[C@@H](O)C3)c2)C1 ZINC000295792039 214318460 /nfs/dbraw/zinc/31/84/60/214318460.db2.gz ZOCRNSDUYRFLBK-IRXDYDNUSA-N 2 2 354.422 0.212 10 0 FCAELP CCn1cc[nH+]c1CNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000297380454 214395172 /nfs/dbraw/zinc/39/51/72/214395172.db2.gz GHFIUOXIGVYNAI-UHFFFAOYSA-N 2 2 372.477 0.705 10 0 FCAELP Cn1cc([C@H]2[C@H](C[N@H+](C)CCCNS(C)(=O)=O)CCC[NH+]2C)cn1 ZINC000328627270 529891880 /nfs/dbraw/zinc/89/18/80/529891880.db2.gz FZJKROPIMWYORT-GOEBONIOSA-N 2 2 357.524 0.674 10 0 FCAELP Cn1cc([C@H]2[C@H](C[N@@H+](C)CCCNS(C)(=O)=O)CCC[NH+]2C)cn1 ZINC000328627270 529891881 /nfs/dbraw/zinc/89/18/81/529891881.db2.gz FZJKROPIMWYORT-GOEBONIOSA-N 2 2 357.524 0.674 10 0 FCAELP Cn1cc([C@H]2[C@H](C[NH+](C)CCCNS(C)(=O)=O)CCC[N@@H+]2C)cn1 ZINC000328627270 529891882 /nfs/dbraw/zinc/89/18/82/529891882.db2.gz FZJKROPIMWYORT-GOEBONIOSA-N 2 2 357.524 0.674 10 0 FCAELP Cn1cc([C@H]2[C@H](C[NH+](C)CCCNS(C)(=O)=O)CCC[N@H+]2C)cn1 ZINC000328627270 529891883 /nfs/dbraw/zinc/89/18/83/529891883.db2.gz FZJKROPIMWYORT-GOEBONIOSA-N 2 2 357.524 0.674 10 0 FCAELP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333645927 215305122 /nfs/dbraw/zinc/30/51/22/215305122.db2.gz JABVHYSMZSHVQV-IRXDYDNUSA-N 2 2 365.522 0.857 10 0 FCAELP C[NH+]1CCN(c2ncccc2CNC(=O)N2CC[NH2+]C[C@@](C)(F)C2)CC1 ZINC000333807737 215320957 /nfs/dbraw/zinc/32/09/57/215320957.db2.gz PDQAKOWCKUJRNY-GOSISDBHSA-N 2 2 364.469 0.676 10 0 FCAELP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333898962 215329464 /nfs/dbraw/zinc/32/94/64/215329464.db2.gz ZMPDGLUMYMIVAF-CVEARBPZSA-N 2 2 351.495 0.467 10 0 FCAELP CC[N@H+](CCNC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1)C1CC1 ZINC000285174307 213296769 /nfs/dbraw/zinc/29/67/69/213296769.db2.gz YIIKUQRTQQOJSX-UHFFFAOYSA-N 2 2 356.430 0.484 10 0 FCAELP CC[N@@H+](CCNC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1)C1CC1 ZINC000285174307 213296772 /nfs/dbraw/zinc/29/67/72/213296772.db2.gz YIIKUQRTQQOJSX-UHFFFAOYSA-N 2 2 356.430 0.484 10 0 FCAELP CC(C)C[NH+]1CCN(C(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2)CC1 ZINC000285052417 213274069 /nfs/dbraw/zinc/27/40/69/213274069.db2.gz SJGWCHCNEBRUEU-UHFFFAOYSA-N 2 2 370.457 0.684 10 0 FCAELP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000284897670 213243522 /nfs/dbraw/zinc/24/35/22/213243522.db2.gz MEFZOWXDRMFBTR-HNNXBMFYSA-N 2 2 370.457 0.874 10 0 FCAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@H](C)CS(C)(=O)=O)CC2)C1 ZINC000246639008 209395454 /nfs/dbraw/zinc/39/54/54/209395454.db2.gz UHEDVCCDYYOHHK-DLBZAZTESA-N 2 2 361.552 0.394 10 0 FCAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@H](C)CS(C)(=O)=O)CC2)C1 ZINC000246639008 209395459 /nfs/dbraw/zinc/39/54/59/209395459.db2.gz UHEDVCCDYYOHHK-DLBZAZTESA-N 2 2 361.552 0.394 10 0 FCAELP C[C@H](C(=O)NC[C@@H]1CCCO1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000245627585 209371277 /nfs/dbraw/zinc/37/12/77/209371277.db2.gz PFNCBOLTYKIVAZ-BBCBXFPWSA-N 2 2 364.534 0.913 10 0 FCAELP C[C@H](C(=O)NC[C@@H]1CCCO1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000245627585 209371281 /nfs/dbraw/zinc/37/12/81/209371281.db2.gz PFNCBOLTYKIVAZ-BBCBXFPWSA-N 2 2 364.534 0.913 10 0 FCAELP C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000245627585 209371284 /nfs/dbraw/zinc/37/12/84/209371284.db2.gz PFNCBOLTYKIVAZ-BBCBXFPWSA-N 2 2 364.534 0.913 10 0 FCAELP C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000245627585 209371286 /nfs/dbraw/zinc/37/12/86/209371286.db2.gz PFNCBOLTYKIVAZ-BBCBXFPWSA-N 2 2 364.534 0.913 10 0 FCAELP C[C@@H]1CN(C(=O)C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)C[C@@H](C)O1 ZINC000246319491 209382883 /nfs/dbraw/zinc/38/28/83/209382883.db2.gz ROWCPTUZUNYJFY-KZNAEPCWSA-N 2 2 352.523 0.724 10 0 FCAELP C[C@@H]1CN(C(=O)C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)C[C@@H](C)O1 ZINC000246319491 209382891 /nfs/dbraw/zinc/38/28/91/209382891.db2.gz ROWCPTUZUNYJFY-KZNAEPCWSA-N 2 2 352.523 0.724 10 0 FCAELP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000246146045 209380331 /nfs/dbraw/zinc/38/03/31/209380331.db2.gz GECKQPADGVTZLF-IAGOWNOFSA-N 2 2 365.522 0.809 10 0 FCAELP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000246146045 209380328 /nfs/dbraw/zinc/38/03/28/209380328.db2.gz GECKQPADGVTZLF-IAGOWNOFSA-N 2 2 365.522 0.809 10 0 FCAELP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000246107790 209378843 /nfs/dbraw/zinc/37/88/43/209378843.db2.gz HOSICTBRWNKNRA-SJORKVTESA-N 3 2 355.527 0.375 10 0 FCAELP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000246107790 209378846 /nfs/dbraw/zinc/37/88/46/209378846.db2.gz HOSICTBRWNKNRA-SJORKVTESA-N 3 2 355.527 0.375 10 0 FCAELP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000246107790 209378847 /nfs/dbraw/zinc/37/88/47/209378847.db2.gz HOSICTBRWNKNRA-SJORKVTESA-N 3 2 355.527 0.375 10 0 FCAELP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000246107790 209378850 /nfs/dbraw/zinc/37/88/50/209378850.db2.gz HOSICTBRWNKNRA-SJORKVTESA-N 3 2 355.527 0.375 10 0 FCAELP C[C@H](C(=O)NC[C@H]1CCCO1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000245627590 209372802 /nfs/dbraw/zinc/37/28/02/209372802.db2.gz PFNCBOLTYKIVAZ-BSLJZLGVSA-N 2 2 364.534 0.913 10 0 FCAELP C[C@H](C(=O)NC[C@H]1CCCO1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000245627590 209372805 /nfs/dbraw/zinc/37/28/05/209372805.db2.gz PFNCBOLTYKIVAZ-BSLJZLGVSA-N 2 2 364.534 0.913 10 0 FCAELP C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000245627590 209372808 /nfs/dbraw/zinc/37/28/08/209372808.db2.gz PFNCBOLTYKIVAZ-BSLJZLGVSA-N 2 2 364.534 0.913 10 0 FCAELP C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000245627590 209372810 /nfs/dbraw/zinc/37/28/10/209372810.db2.gz PFNCBOLTYKIVAZ-BSLJZLGVSA-N 2 2 364.534 0.913 10 0 FCAELP CCOC1CC(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)([NH+]2CCOCC2)C1 ZINC000194991499 209332059 /nfs/dbraw/zinc/33/20/59/209332059.db2.gz PAIREWSRYKZLFS-LRYGQEGESA-N 2 2 366.506 0.746 10 0 FCAELP CCOC1CC(CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)([NH+]2CCOCC2)C1 ZINC000194991499 209332061 /nfs/dbraw/zinc/33/20/61/209332061.db2.gz PAIREWSRYKZLFS-LRYGQEGESA-N 2 2 366.506 0.746 10 0 FCAELP C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194740290 209328613 /nfs/dbraw/zinc/32/86/13/209328613.db2.gz RRPUUKDYWBORJS-WBVHZDCISA-N 2 2 371.547 0.828 10 0 FCAELP C[C@@H](c1nnnn1C1CC1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000192103836 209296504 /nfs/dbraw/zinc/29/65/04/209296504.db2.gz VLNUMILCEHWHJM-AWEZNQCLSA-N 2 2 361.494 0.945 10 0 FCAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[NH+]2CCC1CC2 ZINC000368964560 216323803 /nfs/dbraw/zinc/32/38/03/216323803.db2.gz GRSLWOYUKAJGQB-UHFFFAOYSA-N 2 2 373.457 0.472 10 0 FCAELP COC(=O)Cn1cc(CC[NH+]2CCC([N@@H+]3CCCOCC3)CC2)nn1 ZINC000931286635 674107061 /nfs/dbraw/zinc/10/70/61/674107061.db2.gz LXOBDXMLTSJJAS-UHFFFAOYSA-N 2 2 351.451 0.180 10 0 FCAELP COC(=O)Cn1cc(CC[NH+]2CCC([N@H+]3CCCOCC3)CC2)nn1 ZINC000931286635 674107063 /nfs/dbraw/zinc/10/70/63/674107063.db2.gz LXOBDXMLTSJJAS-UHFFFAOYSA-N 2 2 351.451 0.180 10 0 FCAELP C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000190677025 209275139 /nfs/dbraw/zinc/27/51/39/209275139.db2.gz UMQCIYUPTPJVGH-GOSISDBHSA-N 2 2 361.490 0.877 10 0 FCAELP Cn1cnc2c1c(=O)n(CCC[NH+]1CCC(c3c[nH]c[nH+]3)CC1)c(=O)n2C ZINC000374213035 217108760 /nfs/dbraw/zinc/10/87/60/217108760.db2.gz RWLQBFJDAJELOP-UHFFFAOYSA-N 2 2 371.445 0.427 10 0 FCAELP C[NH+](C)Cc1ccc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cn1 ZINC000375089355 217217169 /nfs/dbraw/zinc/21/71/69/217217169.db2.gz IIARBJFDJRXAJE-UHFFFAOYSA-N 2 2 373.501 0.914 10 0 FCAELP C[NH+](C)Cc1ccc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cn1 ZINC000375089355 217217171 /nfs/dbraw/zinc/21/71/71/217217171.db2.gz IIARBJFDJRXAJE-UHFFFAOYSA-N 2 2 373.501 0.914 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCO[C@]4(CCCOC4)C3)C2)CC1 ZINC000376344109 217387455 /nfs/dbraw/zinc/38/74/55/217387455.db2.gz OAQDNYMKRMDUJL-VQIMIIECSA-N 2 2 366.506 0.746 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCO[C@]4(CCCOC4)C3)C2)CC1 ZINC000376344109 217387458 /nfs/dbraw/zinc/38/74/58/217387458.db2.gz OAQDNYMKRMDUJL-VQIMIIECSA-N 2 2 366.506 0.746 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCO[C@@]4(CCCOC4)C3)C2)CC1 ZINC000376344107 217386869 /nfs/dbraw/zinc/38/68/69/217386869.db2.gz OAQDNYMKRMDUJL-LPHOPBHVSA-N 2 2 366.506 0.746 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCO[C@@]4(CCCOC4)C3)C2)CC1 ZINC000376344107 217386872 /nfs/dbraw/zinc/38/68/72/217386872.db2.gz OAQDNYMKRMDUJL-LPHOPBHVSA-N 2 2 366.506 0.746 10 0 FCAELP CC[N@H+](CCNC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1)C(C)C ZINC000931657697 674127802 /nfs/dbraw/zinc/12/78/02/674127802.db2.gz RHVLSIDOFMNGBT-UHFFFAOYSA-N 2 2 355.508 0.667 10 0 FCAELP CC[N@@H+](CCNC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1)C(C)C ZINC000931657697 674127803 /nfs/dbraw/zinc/12/78/03/674127803.db2.gz RHVLSIDOFMNGBT-UHFFFAOYSA-N 2 2 355.508 0.667 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000931660546 674128167 /nfs/dbraw/zinc/12/81/67/674128167.db2.gz ILHMUONPJAFFFW-KGLIPLIRSA-N 2 2 365.503 0.516 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000931660546 674128169 /nfs/dbraw/zinc/12/81/69/674128169.db2.gz ILHMUONPJAFFFW-KGLIPLIRSA-N 2 2 365.503 0.516 10 0 FCAELP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000931662789 674128671 /nfs/dbraw/zinc/12/86/71/674128671.db2.gz BBSCCTCRRHFQME-ZDUSSCGKSA-N 2 2 353.492 0.374 10 0 FCAELP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000931662789 674128672 /nfs/dbraw/zinc/12/86/72/674128672.db2.gz BBSCCTCRRHFQME-ZDUSSCGKSA-N 2 2 353.492 0.374 10 0 FCAELP [NH3+]CCCNC(=O)C(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000419331727 246103744 /nfs/dbraw/zinc/10/37/44/246103744.db2.gz DDGCOZYEKNXLSZ-UHFFFAOYSA-N 2 2 367.453 0.726 10 0 FCAELP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419303130 246091300 /nfs/dbraw/zinc/09/13/00/246091300.db2.gz HOOPGYWPDLBEIH-INIZCTEOSA-N 2 2 359.474 0.946 10 0 FCAELP C[C@@H]1C[NH+](CCCNC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)C[C@@H](C)O1 ZINC000419411099 246145016 /nfs/dbraw/zinc/14/50/16/246145016.db2.gz PIMQAKBVRQFYIQ-MWDXBVQZSA-N 2 2 356.511 0.582 10 0 FCAELP CCCN(C(=O)C(=O)NCc1nc(C[NH+](C)C)cs1)[C@@H]1CC[N@H+](C)C1 ZINC000931667920 674129945 /nfs/dbraw/zinc/12/99/45/674129945.db2.gz MHFODNZRERGJFD-CQSZACIVSA-N 2 2 367.519 0.764 10 0 FCAELP CCCN(C(=O)C(=O)NCc1nc(C[NH+](C)C)cs1)[C@@H]1CC[N@@H+](C)C1 ZINC000931667920 674129948 /nfs/dbraw/zinc/12/99/48/674129948.db2.gz MHFODNZRERGJFD-CQSZACIVSA-N 2 2 367.519 0.764 10 0 FCAELP C[C@H]1CCN(C(=O)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C[C@@H]1C[NH3+] ZINC000419634730 246223684 /nfs/dbraw/zinc/22/36/84/246223684.db2.gz FGBSZZSHXWZPNP-YJBOKZPZSA-N 2 2 369.469 0.991 10 0 FCAELP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000419650176 246230953 /nfs/dbraw/zinc/23/09/53/246230953.db2.gz UQZPQIXUPJJNMD-PBHICJAKSA-N 2 2 355.442 0.804 10 0 FCAELP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000419649899 246231048 /nfs/dbraw/zinc/23/10/48/246231048.db2.gz NMWZMLVHJAQVST-GOEBONIOSA-N 2 2 359.474 0.800 10 0 FCAELP C[C@H](NC(=O)C(=O)NCC1([NH3+])CCCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000419676917 246244602 /nfs/dbraw/zinc/24/46/02/246244602.db2.gz CDBACMXYSMUJQT-GJZGRUSLSA-N 2 2 354.495 0.380 10 0 FCAELP CCOc1ccccc1C[N@@H+]1CCN(C(=O)C(=O)NCCC[NH3+])[C@@H](C)C1 ZINC000419832420 246309552 /nfs/dbraw/zinc/30/95/52/246309552.db2.gz JILXOVOQZXWNJE-HNNXBMFYSA-N 2 2 362.474 0.583 10 0 FCAELP CCOc1ccccc1C[N@H+]1CCN(C(=O)C(=O)NCCC[NH3+])[C@@H](C)C1 ZINC000419832420 246309555 /nfs/dbraw/zinc/30/95/55/246309555.db2.gz JILXOVOQZXWNJE-HNNXBMFYSA-N 2 2 362.474 0.583 10 0 FCAELP O=C(C(=O)N1CC[NH2+]C[C@H]1c1cccnc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000423653586 247094629 /nfs/dbraw/zinc/09/46/29/247094629.db2.gz ZILMTISJHULEMY-SJORKVTESA-N 2 2 355.442 0.027 10 0 FCAELP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000423705111 247117998 /nfs/dbraw/zinc/11/79/98/247117998.db2.gz KLGRLLOVYPPZTM-INIZCTEOSA-N 2 2 369.425 0.407 10 0 FCAELP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC2)s1 ZINC000423731305 247130017 /nfs/dbraw/zinc/13/00/17/247130017.db2.gz YWRCBHGTOLLPKX-CYBMUJFWSA-N 2 2 352.504 0.760 10 0 FCAELP O=S(=O)(c1ccccc1Cn1cc[nH+]c1)N1CC[NH+](CCCO)CC1 ZINC000443042188 248305095 /nfs/dbraw/zinc/30/50/95/248305095.db2.gz XMAVGOVUUXUBFL-UHFFFAOYSA-N 2 2 364.471 0.620 10 0 FCAELP Cn1nccc1[C@H](CO)[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000459730927 249741053 /nfs/dbraw/zinc/74/10/53/249741053.db2.gz CFEHURSOIWEWJM-KRWDZBQOSA-N 2 2 357.458 0.388 10 0 FCAELP CC[N@H+](CCO)CCNC(=O)C[NH+]1CCc2cc(OC)c(OC)cc2C1 ZINC000470595628 250051420 /nfs/dbraw/zinc/05/14/20/250051420.db2.gz WSUQCSPUEVEMOZ-UHFFFAOYSA-N 2 2 365.474 0.492 10 0 FCAELP CC[N@@H+](CCO)CCNC(=O)C[NH+]1CCc2cc(OC)c(OC)cc2C1 ZINC000470595628 250051422 /nfs/dbraw/zinc/05/14/22/250051422.db2.gz WSUQCSPUEVEMOZ-UHFFFAOYSA-N 2 2 365.474 0.492 10 0 FCAELP CC[NH+](CCO)CCNC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000470595628 250051424 /nfs/dbraw/zinc/05/14/24/250051424.db2.gz WSUQCSPUEVEMOZ-UHFFFAOYSA-N 2 2 365.474 0.492 10 0 FCAELP CC[NH+](CCO)CCNC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000470595628 250051427 /nfs/dbraw/zinc/05/14/27/250051427.db2.gz WSUQCSPUEVEMOZ-UHFFFAOYSA-N 2 2 365.474 0.492 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](CO)c2ccsc2)C1 ZINC000473175664 250204900 /nfs/dbraw/zinc/20/49/00/250204900.db2.gz URMQQJHTEQHAKB-CVEARBPZSA-N 2 2 355.504 0.844 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](CO)c2ccsc2)C1 ZINC000473175664 250204904 /nfs/dbraw/zinc/20/49/04/250204904.db2.gz URMQQJHTEQHAKB-CVEARBPZSA-N 2 2 355.504 0.844 10 0 FCAELP CN(CC[N@H+](C)C1CC1)C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000474021793 250263461 /nfs/dbraw/zinc/26/34/61/250263461.db2.gz NQZMWSDEBMOUQY-UHFFFAOYSA-N 2 2 365.522 0.666 10 0 FCAELP CN(CC[N@@H+](C)C1CC1)C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000474021793 250263467 /nfs/dbraw/zinc/26/34/67/250263467.db2.gz NQZMWSDEBMOUQY-UHFFFAOYSA-N 2 2 365.522 0.666 10 0 FCAELP C[C@@H]1C[N@@H+](C2CCN(C(=O)NCC(C)(C)[NH+]3CCOCC3)CC2)CCO1 ZINC000079571059 208090575 /nfs/dbraw/zinc/09/05/75/208090575.db2.gz HLDOSKAPHDSPHX-MRXNPFEDSA-N 2 2 368.522 0.992 10 0 FCAELP C[C@@H]1C[N@H+](C2CCN(C(=O)NCC(C)(C)[NH+]3CCOCC3)CC2)CCO1 ZINC000079571059 208090579 /nfs/dbraw/zinc/09/05/79/208090579.db2.gz HLDOSKAPHDSPHX-MRXNPFEDSA-N 2 2 368.522 0.992 10 0 FCAELP COC[C@](C)(CCO)[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000085981001 208112271 /nfs/dbraw/zinc/11/22/71/208112271.db2.gz CUZHZZNADNWAAZ-KRWDZBQOSA-N 2 2 355.504 0.769 10 0 FCAELP C[NH+](C)CCOc1cccc(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000104787502 208186328 /nfs/dbraw/zinc/18/63/28/208186328.db2.gz DBKNFZZOTDGRGI-QGZVFWFLSA-N 2 2 350.463 0.757 10 0 FCAELP C[NH+](C)CCOc1cccc(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000104787502 208186334 /nfs/dbraw/zinc/18/63/34/208186334.db2.gz DBKNFZZOTDGRGI-QGZVFWFLSA-N 2 2 350.463 0.757 10 0 FCAELP C[NH+](C)CCOc1cccc(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000104787509 208186752 /nfs/dbraw/zinc/18/67/52/208186752.db2.gz DBKNFZZOTDGRGI-KRWDZBQOSA-N 2 2 350.463 0.757 10 0 FCAELP C[NH+](C)CCOc1cccc(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000104787509 208186755 /nfs/dbraw/zinc/18/67/55/208186755.db2.gz DBKNFZZOTDGRGI-KRWDZBQOSA-N 2 2 350.463 0.757 10 0 FCAELP CCC(CC)[C@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)[NH+]1CCOCC1 ZINC000104780881 208188763 /nfs/dbraw/zinc/18/87/63/208188763.db2.gz IYFWCGGYLXLBJW-IRXDYDNUSA-N 2 2 356.511 0.753 10 0 FCAELP CCC(CC)[C@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)[NH+]1CCOCC1 ZINC000104780881 208188768 /nfs/dbraw/zinc/18/87/68/208188768.db2.gz IYFWCGGYLXLBJW-IRXDYDNUSA-N 2 2 356.511 0.753 10 0 FCAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CC(=O)N3CCC(C)CC3)CC2)C1 ZINC000106124107 208211747 /nfs/dbraw/zinc/21/17/47/208211747.db2.gz SWFQNQCIUVGRKG-LJQANCHMSA-N 2 2 366.550 0.972 10 0 FCAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CC(=O)N3CCC(C)CC3)CC2)C1 ZINC000106124107 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NLRITAVTWBHUAV-LJQANCHMSA-N 2 2 374.485 0.960 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)NCC3([NH+](C)C)CCOCC3)ccc2[nH+]1 ZINC000271672722 488537392 /nfs/dbraw/zinc/53/73/92/488537392.db2.gz QNBNQQYBFNUCCQ-UHFFFAOYSA-N 2 2 359.430 0.808 10 0 FCAELP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(C(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000261856612 488539145 /nfs/dbraw/zinc/53/91/45/488539145.db2.gz PFVRPMVKXAJVJL-JKSUJKDBSA-N 2 2 350.507 0.968 10 0 FCAELP COCC[N@@H+]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C ZINC000117285733 488551124 /nfs/dbraw/zinc/55/11/24/488551124.db2.gz NGURGNUYTUYNLX-LJQANCHMSA-N 2 2 374.529 0.983 10 0 FCAELP COCC[N@H+]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C ZINC000117285733 488551125 /nfs/dbraw/zinc/55/11/25/488551125.db2.gz NGURGNUYTUYNLX-LJQANCHMSA-N 2 2 374.529 0.983 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000569942998 491205732 /nfs/dbraw/zinc/20/57/32/491205732.db2.gz KXSJWUZWDYQJQD-NILFDRSVSA-N 2 2 368.840 0.819 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000569942998 491205733 /nfs/dbraw/zinc/20/57/33/491205733.db2.gz KXSJWUZWDYQJQD-NILFDRSVSA-N 2 2 368.840 0.819 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000123183420 488583226 /nfs/dbraw/zinc/58/32/26/488583226.db2.gz SHEOMPXMYJICCX-OKZBNKHCSA-N 3 2 354.539 0.874 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000123183420 488583228 /nfs/dbraw/zinc/58/32/28/488583228.db2.gz SHEOMPXMYJICCX-OKZBNKHCSA-N 3 2 354.539 0.874 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000123183420 488583230 /nfs/dbraw/zinc/58/32/30/488583230.db2.gz SHEOMPXMYJICCX-OKZBNKHCSA-N 3 2 354.539 0.874 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000123183420 488583233 /nfs/dbraw/zinc/58/32/33/488583233.db2.gz SHEOMPXMYJICCX-OKZBNKHCSA-N 3 2 354.539 0.874 10 0 FCAELP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]3CC(F)(F)C[NH2+]3)cc2)CC1 ZINC000262692809 488586422 /nfs/dbraw/zinc/58/64/22/488586422.db2.gz APQDPFURVXVZDU-HNNXBMFYSA-N 2 2 366.412 0.939 10 0 FCAELP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000262933150 488599901 /nfs/dbraw/zinc/59/99/01/488599901.db2.gz HZJZHQPTDJZOIU-CYBMUJFWSA-N 2 2 360.449 0.727 10 0 FCAELP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@H]3CC(F)(F)C[NH2+]3)c2)CC1 ZINC000263111939 488604681 /nfs/dbraw/zinc/60/46/81/488604681.db2.gz AHTWKRCZYBDDHB-OAHLLOKOSA-N 2 2 366.412 0.939 10 0 FCAELP C[C@H]1CC[N@H+](CC(=O)N(C)CC(=O)N2CCOCC2)C[C@@H]1n1cc[nH+]c1 ZINC000129786745 488633600 /nfs/dbraw/zinc/63/36/00/488633600.db2.gz MHJSZFLCAIUMHM-HOTGVXAUSA-N 2 2 363.462 0.083 10 0 FCAELP C[C@H]1CC[N@@H+](CC(=O)N(C)CC(=O)N2CCOCC2)C[C@@H]1n1cc[nH+]c1 ZINC000129786745 488633603 /nfs/dbraw/zinc/63/36/03/488633603.db2.gz MHJSZFLCAIUMHM-HOTGVXAUSA-N 2 2 363.462 0.083 10 0 FCAELP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000131199315 488643411 /nfs/dbraw/zinc/64/34/11/488643411.db2.gz HGGODTUMZKDPCO-RBUKOAKNSA-N 2 2 361.486 0.978 10 0 FCAELP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000131199315 488643412 /nfs/dbraw/zinc/64/34/12/488643412.db2.gz HGGODTUMZKDPCO-RBUKOAKNSA-N 2 2 361.486 0.978 10 0 FCAELP COC[C@@H](O)CCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000133960417 488663228 /nfs/dbraw/zinc/66/32/28/488663228.db2.gz OBWDPMRGFRFPMI-INIZCTEOSA-N 2 2 356.511 0.633 10 0 FCAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000152436905 488717912 /nfs/dbraw/zinc/71/79/12/488717912.db2.gz LSKULPMWUQBISZ-IAGOWNOFSA-N 2 2 356.511 0.441 10 0 FCAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000152436905 488717914 /nfs/dbraw/zinc/71/79/14/488717914.db2.gz LSKULPMWUQBISZ-IAGOWNOFSA-N 2 2 356.511 0.441 10 0 FCAELP Cn1nccc1NC(=O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000153895442 488736175 /nfs/dbraw/zinc/73/61/75/488736175.db2.gz YPRBFKJVVALMFN-UHFFFAOYSA-N 2 2 362.478 0.425 10 0 FCAELP C[NH+](C)[C@H]1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000170835579 488817059 /nfs/dbraw/zinc/81/70/59/488817059.db2.gz BZMXXJLUELIKMB-INIZCTEOSA-N 2 2 374.489 0.466 10 0 FCAELP C[C@@H](O)C[NH+]1CCC(CN(C)c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000171986663 488829577 /nfs/dbraw/zinc/82/95/77/488829577.db2.gz AMPAJJIAPKWGBK-NVXWUHKLSA-N 2 2 363.506 0.967 10 0 FCAELP C[C@@H](O)C[NH+]1CCC(CN(C)c2cc(N3CCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000171986663 488829579 /nfs/dbraw/zinc/82/95/79/488829579.db2.gz AMPAJJIAPKWGBK-NVXWUHKLSA-N 2 2 363.506 0.967 10 0 FCAELP C[NH+]1CCN([C@H](C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c2ccccc2)CC1 ZINC000172749681 488837613 /nfs/dbraw/zinc/83/76/13/488837613.db2.gz AEXKTNIFQBODCB-UXHICEINSA-N 2 2 372.513 0.908 10 0 FCAELP CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H](C)N2CC[NH+](C)CC2)nc[nH+]1 ZINC000173442154 488842849 /nfs/dbraw/zinc/84/28/49/488842849.db2.gz BUBJJIABMQZHPW-LSDHHAIUSA-N 2 2 361.494 0.239 10 0 FCAELP Cn1cc(S(=O)(=O)NCC[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cn1 ZINC000173692380 488844389 /nfs/dbraw/zinc/84/43/89/488844389.db2.gz OJUWEFIXEZNMFI-UHFFFAOYSA-N 2 2 366.491 0.387 10 0 FCAELP COCC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000174360862 488848980 /nfs/dbraw/zinc/84/89/80/488848980.db2.gz AETYGIZZFHBKHE-GOSISDBHSA-N 2 2 368.522 0.994 10 0 FCAELP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000174691956 488850605 /nfs/dbraw/zinc/85/06/05/488850605.db2.gz VGALBMXBELESJP-QGZVFWFLSA-N 2 2 368.522 0.994 10 0 FCAELP CC1(C)COCC[N@H+]1CCNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000174691956 488850606 /nfs/dbraw/zinc/85/06/06/488850606.db2.gz VGALBMXBELESJP-QGZVFWFLSA-N 2 2 368.522 0.994 10 0 FCAELP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000174824026 488851589 /nfs/dbraw/zinc/85/15/89/488851589.db2.gz SZJMMJFDSJMHRY-ZWKOTPCHSA-N 2 2 368.522 0.994 10 0 FCAELP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000174824026 488851590 /nfs/dbraw/zinc/85/15/90/488851590.db2.gz SZJMMJFDSJMHRY-ZWKOTPCHSA-N 2 2 368.522 0.994 10 0 FCAELP C[NH+]1CCN([C@@H]2CCCC[N@H+](CC(=O)NCC(=O)OC(C)(C)C)C2)CC1 ZINC000182210931 488864439 /nfs/dbraw/zinc/86/44/39/488864439.db2.gz PUAQOHUPCNCZCM-MRXNPFEDSA-N 2 2 368.522 0.546 10 0 FCAELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CC(=O)NCC(=O)OC(C)(C)C)C2)CC1 ZINC000182210931 488864440 /nfs/dbraw/zinc/86/44/40/488864440.db2.gz PUAQOHUPCNCZCM-MRXNPFEDSA-N 2 2 368.522 0.546 10 0 FCAELP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000329678297 489026029 /nfs/dbraw/zinc/02/60/29/489026029.db2.gz QFQODYWCRGWHON-AWEZNQCLSA-N 2 2 359.430 0.198 10 0 FCAELP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000329678297 489026033 /nfs/dbraw/zinc/02/60/33/489026033.db2.gz QFQODYWCRGWHON-AWEZNQCLSA-N 2 2 359.430 0.198 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@@H](C)CN2CCOCC2)C1 ZINC000365186299 489047168 /nfs/dbraw/zinc/04/71/68/489047168.db2.gz WRODEHSQADRGKV-ZWKOTPCHSA-N 2 2 370.538 0.112 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@@H](C)CN2CCOCC2)C1 ZINC000365186299 489047169 /nfs/dbraw/zinc/04/71/69/489047169.db2.gz WRODEHSQADRGKV-ZWKOTPCHSA-N 2 2 370.538 0.112 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)[C@@H](C)CN2CCOCC2)C1 ZINC000365186299 489047170 /nfs/dbraw/zinc/04/71/70/489047170.db2.gz WRODEHSQADRGKV-ZWKOTPCHSA-N 2 2 370.538 0.112 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)[C@@H](C)CN2CCOCC2)C1 ZINC000365186299 489047171 /nfs/dbraw/zinc/04/71/71/489047171.db2.gz WRODEHSQADRGKV-ZWKOTPCHSA-N 2 2 370.538 0.112 10 0 FCAELP Cn1cccc1C[NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000365193460 489048395 /nfs/dbraw/zinc/04/83/95/489048395.db2.gz HQIFLGKFHLPLKK-INIZCTEOSA-N 2 2 370.501 0.961 10 0 FCAELP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1)c1ccccc1 ZINC000289503026 489072048 /nfs/dbraw/zinc/07/20/48/489072048.db2.gz UJCYQHGVGPLDMT-HOTGVXAUSA-N 2 2 372.473 0.697 10 0 FCAELP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)[C@@H](C)C1 ZINC000289511374 489073299 /nfs/dbraw/zinc/07/32/99/489073299.db2.gz ABPQHNYSLSABAP-ULQDDVLXSA-N 2 2 373.501 0.965 10 0 FCAELP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)[C@@H](C)C1 ZINC000289511374 489073300 /nfs/dbraw/zinc/07/33/00/489073300.db2.gz ABPQHNYSLSABAP-ULQDDVLXSA-N 2 2 373.501 0.965 10 0 FCAELP CN(C)S(=O)(=O)n1ccnc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000365670624 489098687 /nfs/dbraw/zinc/09/86/87/489098687.db2.gz WXOXUSRSABXYOG-UHFFFAOYSA-N 2 2 355.508 0.845 10 0 FCAELP CN(C)S(=O)(=O)n1ccnc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000365670624 489098689 /nfs/dbraw/zinc/09/86/89/489098689.db2.gz WXOXUSRSABXYOG-UHFFFAOYSA-N 2 2 355.508 0.845 10 0 FCAELP CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)S(C)(=O)=O ZINC000366482076 489187776 /nfs/dbraw/zinc/18/77/76/489187776.db2.gz MBXIMQRTFCUAJC-KRWDZBQOSA-N 2 2 374.551 0.190 10 0 FCAELP CC(C)N(CCCNC(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)S(C)(=O)=O ZINC000366482076 489187778 /nfs/dbraw/zinc/18/77/78/489187778.db2.gz MBXIMQRTFCUAJC-KRWDZBQOSA-N 2 2 374.551 0.190 10 0 FCAELP CC(C)N(CCCNC(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC000366482076 489187782 /nfs/dbraw/zinc/18/77/82/489187782.db2.gz MBXIMQRTFCUAJC-KRWDZBQOSA-N 2 2 374.551 0.190 10 0 FCAELP CC(C)N(CCCNC(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)S(C)(=O)=O ZINC000366482076 489187784 /nfs/dbraw/zinc/18/77/84/489187784.db2.gz MBXIMQRTFCUAJC-KRWDZBQOSA-N 2 2 374.551 0.190 10 0 FCAELP C[C@@H]1CN(c2ccc(CNC(=O)c3cn(CC[NH3+])nn3)c[nH+]2)C[C@@H](C)O1 ZINC000563451205 491248179 /nfs/dbraw/zinc/24/81/79/491248179.db2.gz MDADFYPLUVDOIW-CHWSQXEVSA-N 2 2 359.434 0.175 10 0 FCAELP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000299243456 489423255 /nfs/dbraw/zinc/42/32/55/489423255.db2.gz LCBOLVOBTLQUBH-ZDUSSCGKSA-N 2 2 358.450 0.289 10 0 FCAELP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000299243456 489423259 /nfs/dbraw/zinc/42/32/59/489423259.db2.gz LCBOLVOBTLQUBH-ZDUSSCGKSA-N 2 2 358.450 0.289 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)cc[nH+]1 ZINC000286969830 489447455 /nfs/dbraw/zinc/44/74/55/489447455.db2.gz AIZRPPLRNHUHPI-CVEARBPZSA-N 2 2 374.489 0.423 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000632550087 493027326 /nfs/dbraw/zinc/02/73/26/493027326.db2.gz PRBCTNUKWKKYPN-UHFFFAOYSA-N 2 2 357.402 0.590 10 0 FCAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451437232 489503743 /nfs/dbraw/zinc/50/37/43/489503743.db2.gz SVYGMQZJGGKERC-SUMWQHHRSA-N 2 2 354.401 0.821 10 0 FCAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000451437232 489503744 /nfs/dbraw/zinc/50/37/44/489503744.db2.gz SVYGMQZJGGKERC-SUMWQHHRSA-N 2 2 354.401 0.821 10 0 FCAELP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1C ZINC000423215641 489504026 /nfs/dbraw/zinc/50/40/26/489504026.db2.gz QYGJJKLFVVCPFR-LSDHHAIUSA-N 2 2 360.458 0.876 10 0 FCAELP O=C(CC[N@@H+]1CCc2ccccc2C1)N1CC[NH+](CCn2cncn2)CC1 ZINC000416155766 489572448 /nfs/dbraw/zinc/57/24/48/489572448.db2.gz NGBQLXXZDYHDSB-UHFFFAOYSA-N 2 2 368.485 0.871 10 0 FCAELP O=C(CC[N@H+]1CCc2ccccc2C1)N1CC[NH+](CCn2cncn2)CC1 ZINC000416155766 489572452 /nfs/dbraw/zinc/57/24/52/489572452.db2.gz NGBQLXXZDYHDSB-UHFFFAOYSA-N 2 2 368.485 0.871 10 0 FCAELP C[C@@H]1C[C@H]1N1C[C@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1=O ZINC000372584447 489604138 /nfs/dbraw/zinc/60/41/38/489604138.db2.gz NYPCIZCJETUAHL-IIAWOOMASA-N 2 2 351.495 0.321 10 0 FCAELP C[C@H]1C[N@H+](CCO)CCN1C(=O)C[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000457111856 489636871 /nfs/dbraw/zinc/63/68/71/489636871.db2.gz FOCQOFFJNXEWLJ-HKUYNNGSSA-N 2 2 361.486 0.803 10 0 FCAELP C[C@H]1C[N@@H+](CCO)CCN1C(=O)C[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000457111856 489636875 /nfs/dbraw/zinc/63/68/75/489636875.db2.gz FOCQOFFJNXEWLJ-HKUYNNGSSA-N 2 2 361.486 0.803 10 0 FCAELP C[C@H]1C[NH+](CCO)CCN1C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000457111856 489636877 /nfs/dbraw/zinc/63/68/77/489636877.db2.gz FOCQOFFJNXEWLJ-HKUYNNGSSA-N 2 2 361.486 0.803 10 0 FCAELP C[C@H]1C[NH+](CCO)CCN1C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000457111856 489636880 /nfs/dbraw/zinc/63/68/80/489636880.db2.gz FOCQOFFJNXEWLJ-HKUYNNGSSA-N 2 2 361.486 0.803 10 0 FCAELP C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000457128292 489637773 /nfs/dbraw/zinc/63/77/73/489637773.db2.gz PXGKHNZTALMQBE-QGZVFWFLSA-N 2 2 360.502 0.573 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000457128292 489637775 /nfs/dbraw/zinc/63/77/75/489637775.db2.gz PXGKHNZTALMQBE-QGZVFWFLSA-N 2 2 360.502 0.573 10 0 FCAELP C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000457128292 489637780 /nfs/dbraw/zinc/63/77/80/489637780.db2.gz PXGKHNZTALMQBE-QGZVFWFLSA-N 2 2 360.502 0.573 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000457128292 489637782 /nfs/dbraw/zinc/63/77/82/489637782.db2.gz PXGKHNZTALMQBE-QGZVFWFLSA-N 2 2 360.502 0.573 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000417019820 489638830 /nfs/dbraw/zinc/63/88/30/489638830.db2.gz RHKLIAYUXHFCBW-HNNXBMFYSA-N 2 2 362.478 0.677 10 0 FCAELP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCC[NH+]3CCN(C(=O)C4CCC4)CC3)C[C@H]12 ZINC000417710955 489662235 /nfs/dbraw/zinc/66/22/35/489662235.db2.gz PQIHCHHIUIMXFZ-IXDOHACOSA-N 2 2 363.506 0.309 10 0 FCAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000429333199 489682871 /nfs/dbraw/zinc/68/28/71/489682871.db2.gz ITSZNVPRVPGIOE-CQSZACIVSA-N 2 2 363.462 0.757 10 0 FCAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000429333199 489682874 /nfs/dbraw/zinc/68/28/74/489682874.db2.gz ITSZNVPRVPGIOE-CQSZACIVSA-N 2 2 363.462 0.757 10 0 FCAELP COc1nnc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000374662642 489703764 /nfs/dbraw/zinc/70/37/64/489703764.db2.gz XZVMXHGSHXTRFH-UHFFFAOYSA-N 2 2 354.480 1.227 10 0 FCAELP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000418799357 489729997 /nfs/dbraw/zinc/72/99/97/489729997.db2.gz HSFLHYQYVMXJJB-OLZOCXBDSA-N 2 2 368.428 0.851 10 0 FCAELP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000418799357 489729998 /nfs/dbraw/zinc/72/99/98/489729998.db2.gz HSFLHYQYVMXJJB-OLZOCXBDSA-N 2 2 368.428 0.851 10 0 FCAELP COCC[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)[C@@H]1CCOC1 ZINC000490054386 489743095 /nfs/dbraw/zinc/74/30/95/489743095.db2.gz OBENRKSABHTZIG-IAGOWNOFSA-N 2 2 357.495 0.197 10 0 FCAELP COCC[N@@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)[C@@H]1CCOC1 ZINC000490054386 489743098 /nfs/dbraw/zinc/74/30/98/489743098.db2.gz OBENRKSABHTZIG-IAGOWNOFSA-N 2 2 357.495 0.197 10 0 FCAELP COCC[NH+](CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)[C@@H]1CCOC1 ZINC000490054386 489743102 /nfs/dbraw/zinc/74/31/02/489743102.db2.gz OBENRKSABHTZIG-IAGOWNOFSA-N 2 2 357.495 0.197 10 0 FCAELP COCC[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)[C@@H]1CCOC1 ZINC000490054386 489743105 /nfs/dbraw/zinc/74/31/05/489743105.db2.gz OBENRKSABHTZIG-IAGOWNOFSA-N 2 2 357.495 0.197 10 0 FCAELP O=C(C[N@H+]1CCC[C@@](O)(CO)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000459649361 489744486 /nfs/dbraw/zinc/74/44/86/489744486.db2.gz LVHBQHGWYQLICA-KRWDZBQOSA-N 2 2 353.488 0.212 10 0 FCAELP O=C(C[N@@H+]1CCC[C@@](O)(CO)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000459649361 489744490 /nfs/dbraw/zinc/74/44/90/489744490.db2.gz LVHBQHGWYQLICA-KRWDZBQOSA-N 2 2 353.488 0.212 10 0 FCAELP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418833782 489745382 /nfs/dbraw/zinc/74/53/82/489745382.db2.gz NQZASTRQLKVYMA-BPQIPLTHSA-N 2 2 374.485 0.118 10 0 FCAELP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418833782 489745388 /nfs/dbraw/zinc/74/53/88/489745388.db2.gz NQZASTRQLKVYMA-BPQIPLTHSA-N 2 2 374.485 0.118 10 0 FCAELP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)NCC[N@H+]1CC=CCC1 ZINC000474374306 489757543 /nfs/dbraw/zinc/75/75/43/489757543.db2.gz SDFWRPYKLZWWSE-UHFFFAOYSA-N 2 2 363.506 0.492 10 0 FCAELP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)NCC[N@@H+]1CC=CCC1 ZINC000474374306 489757547 /nfs/dbraw/zinc/75/75/47/489757547.db2.gz SDFWRPYKLZWWSE-UHFFFAOYSA-N 2 2 363.506 0.492 10 0 FCAELP CCn1nccc1CN(CCO)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000474553268 489769225 /nfs/dbraw/zinc/76/92/25/489769225.db2.gz CFJAQOGSDFZEAV-UHFFFAOYSA-N 2 2 366.510 0.433 10 0 FCAELP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418900108 489782509 /nfs/dbraw/zinc/78/25/09/489782509.db2.gz CPVSGHJQRAEBNM-XFBWCDHKSA-N 2 2 366.412 0.647 10 0 FCAELP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418900108 489782514 /nfs/dbraw/zinc/78/25/14/489782514.db2.gz CPVSGHJQRAEBNM-XFBWCDHKSA-N 2 2 366.412 0.647 10 0 FCAELP C[NH2+]CCCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418904153 489783831 /nfs/dbraw/zinc/78/38/31/489783831.db2.gz IVDDKADNEDQANT-LSDHHAIUSA-N 2 2 354.401 0.552 10 0 FCAELP C[NH2+]CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418904153 489783834 /nfs/dbraw/zinc/78/38/34/489783834.db2.gz IVDDKADNEDQANT-LSDHHAIUSA-N 2 2 354.401 0.552 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000418917796 489790817 /nfs/dbraw/zinc/79/08/17/489790817.db2.gz YTBYIELMJWKAEP-HRCADAONSA-N 2 2 366.412 0.680 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000418917796 489790821 /nfs/dbraw/zinc/79/08/21/489790821.db2.gz YTBYIELMJWKAEP-HRCADAONSA-N 2 2 366.412 0.680 10 0 FCAELP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418918625 489791207 /nfs/dbraw/zinc/79/12/07/489791207.db2.gz ZQPHDSZICXCWJW-VCTAVGKDSA-N 2 2 354.401 0.680 10 0 FCAELP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418918625 489791211 /nfs/dbraw/zinc/79/12/11/489791211.db2.gz ZQPHDSZICXCWJW-VCTAVGKDSA-N 2 2 354.401 0.680 10 0 FCAELP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418918624 489791440 /nfs/dbraw/zinc/79/14/40/489791440.db2.gz ZQPHDSZICXCWJW-ONERCXAPSA-N 2 2 354.401 0.680 10 0 FCAELP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418918624 489791442 /nfs/dbraw/zinc/79/14/42/489791442.db2.gz ZQPHDSZICXCWJW-ONERCXAPSA-N 2 2 354.401 0.680 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418917912 489791483 /nfs/dbraw/zinc/79/14/83/489791483.db2.gz YZVHUXVIWMEPOQ-GJZGRUSLSA-N 2 2 368.840 0.772 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418917912 489791486 /nfs/dbraw/zinc/79/14/86/489791486.db2.gz YZVHUXVIWMEPOQ-GJZGRUSLSA-N 2 2 368.840 0.772 10 0 FCAELP O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418919904 489792154 /nfs/dbraw/zinc/79/21/54/489792154.db2.gz XWTLGCFEYLSFCO-SFHVURJKSA-N 2 2 374.485 0.393 10 0 FCAELP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CC[NH+](C2CC2)CC1 ZINC000459929344 489797401 /nfs/dbraw/zinc/79/74/01/489797401.db2.gz FIIDFDPGOBUEFE-CRAIPNDOSA-N 2 2 360.502 0.768 10 0 FCAELP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CC[NH+](C2CC2)CC1 ZINC000459929344 489797407 /nfs/dbraw/zinc/79/74/07/489797407.db2.gz FIIDFDPGOBUEFE-CRAIPNDOSA-N 2 2 360.502 0.768 10 0 FCAELP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000459928170 489797683 /nfs/dbraw/zinc/79/76/83/489797683.db2.gz BMTXDVKTGMUUFU-UHFFFAOYSA-N 2 2 373.457 0.045 10 0 FCAELP COc1cc2[nH+]c(N3C[C@H](C)[N@H+](CCO)C[C@H]3C)nc(N)c2cc1OC ZINC000419007694 489816398 /nfs/dbraw/zinc/81/63/98/489816398.db2.gz RVLUTMUJVVTWDU-NWDGAFQWSA-N 2 2 361.446 1.121 10 0 FCAELP COc1cc2[nH+]c(N3C[C@H](C)[N@@H+](CCO)C[C@H]3C)nc(N)c2cc1OC ZINC000419007694 489816401 /nfs/dbraw/zinc/81/64/01/489816401.db2.gz RVLUTMUJVVTWDU-NWDGAFQWSA-N 2 2 361.446 1.121 10 0 FCAELP CC[N@@H+]1CC[C@H](CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000475566502 489837079 /nfs/dbraw/zinc/83/70/79/489837079.db2.gz HWIUCLWZWLDGHC-OAHLLOKOSA-N 2 2 350.467 0.679 10 0 FCAELP CC[N@H+]1CC[C@H](CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000475566502 489837083 /nfs/dbraw/zinc/83/70/83/489837083.db2.gz HWIUCLWZWLDGHC-OAHLLOKOSA-N 2 2 350.467 0.679 10 0 FCAELP COC(=O)C[C@H]1CSCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000475889287 489856216 /nfs/dbraw/zinc/85/62/16/489856216.db2.gz QXOCLNPBWHCCAN-HNNXBMFYSA-N 2 2 355.504 0.710 10 0 FCAELP COC(=O)C[C@H]1CSCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000475889287 489856221 /nfs/dbraw/zinc/85/62/21/489856221.db2.gz QXOCLNPBWHCCAN-HNNXBMFYSA-N 2 2 355.504 0.710 10 0 FCAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419110175 489858975 /nfs/dbraw/zinc/85/89/75/489858975.db2.gz BPSHWNDOFSVXSN-QGZVFWFLSA-N 2 2 361.833 0.816 10 0 FCAELP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000419123288 489867145 /nfs/dbraw/zinc/86/71/45/489867145.db2.gz YEVQAHBABXAQLA-JSGCOSHPSA-N 2 2 359.430 0.222 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@H]3C[NH3+])CC2)cc[nH+]1 ZINC000420008513 489879541 /nfs/dbraw/zinc/87/95/41/489879541.db2.gz BSKKIEOBHXFVHO-GJZGRUSLSA-N 2 2 360.462 0.067 10 0 FCAELP CC[NH+](CC)CCS(=O)(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000555949546 491285221 /nfs/dbraw/zinc/28/52/21/491285221.db2.gz PYUGCMRVKRYSBB-UHFFFAOYSA-N 2 2 356.492 0.679 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420068326 489902472 /nfs/dbraw/zinc/90/24/72/489902472.db2.gz TUWSIVNWORPLLB-HZPDHXFCSA-N 2 2 359.474 0.672 10 0 FCAELP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000420074492 489903484 /nfs/dbraw/zinc/90/34/84/489903484.db2.gz ZOXLHUHQJDTPRS-YESZJQIVSA-N 2 2 366.506 0.333 10 0 FCAELP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)CC2)c1 ZINC000420100826 489912132 /nfs/dbraw/zinc/91/21/32/489912132.db2.gz LFOIHKWHUIKQPW-FUHWJXTLSA-N 2 2 358.486 0.753 10 0 FCAELP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000420103317 489913239 /nfs/dbraw/zinc/91/32/39/489913239.db2.gz PGVDJLGPMHBQPQ-AEFFLSMTSA-N 2 2 358.486 0.753 10 0 FCAELP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000420103319 489913262 /nfs/dbraw/zinc/91/32/62/489913262.db2.gz PGVDJLGPMHBQPQ-SJLPKXTDSA-N 2 2 358.486 0.753 10 0 FCAELP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000420144694 489929596 /nfs/dbraw/zinc/92/95/96/489929596.db2.gz NRKUDMSNIVSSOO-HIFRSBDPSA-N 2 2 350.488 0.507 10 0 FCAELP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000571246514 491295293 /nfs/dbraw/zinc/29/52/93/491295293.db2.gz DRFVGDVCZIOEOI-MAUKXSAKSA-N 2 2 352.523 0.506 10 0 FCAELP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000571246514 491295295 /nfs/dbraw/zinc/29/52/95/491295295.db2.gz DRFVGDVCZIOEOI-MAUKXSAKSA-N 2 2 352.523 0.506 10 0 FCAELP c1cc(NC[C@@]2([NH+]3CCOCC3)CCSC2)nc(N2CCOCC2)[nH+]1 ZINC000378527971 490080198 /nfs/dbraw/zinc/08/01/98/490080198.db2.gz XYTKMWMKICNBFQ-KRWDZBQOSA-N 2 2 365.503 0.933 10 0 FCAELP CC(C)[C@H](CNC(=O)C(=O)NCCc1cn(C)c[nH+]1)[NH+]1CCC(C)CC1 ZINC000421531426 490086288 /nfs/dbraw/zinc/08/62/88/490086288.db2.gz XSJHBRNVIKGQIG-KRWDZBQOSA-N 2 2 363.506 0.952 10 0 FCAELP C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000532732698 490102286 /nfs/dbraw/zinc/10/22/86/490102286.db2.gz ZDSOXQFHFLVAEB-CABCVRRESA-N 2 2 362.478 0.348 10 0 FCAELP C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000532732700 490103884 /nfs/dbraw/zinc/10/38/84/490103884.db2.gz ZDSOXQFHFLVAEB-HUUCEWRRSA-N 2 2 362.478 0.348 10 0 FCAELP CN(CC[NH+](C)C)C(=O)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000564327503 491300883 /nfs/dbraw/zinc/30/08/83/491300883.db2.gz XBKSJFDWNDSWQZ-UHFFFAOYSA-N 2 2 366.893 0.834 10 0 FCAELP CN(CC[NH+](C)C)C(=O)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000564327503 491300885 /nfs/dbraw/zinc/30/08/85/491300885.db2.gz XBKSJFDWNDSWQZ-UHFFFAOYSA-N 2 2 366.893 0.834 10 0 FCAELP O=C(NCCCC[N@H+]1CCC[C@H]1CO)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000520267761 490125766 /nfs/dbraw/zinc/12/57/66/490125766.db2.gz ZUVKLWWMDTWBMG-HNNXBMFYSA-N 2 2 359.430 0.626 10 0 FCAELP O=C(NCCCC[N@@H+]1CCC[C@H]1CO)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000520267761 490125772 /nfs/dbraw/zinc/12/57/72/490125772.db2.gz ZUVKLWWMDTWBMG-HNNXBMFYSA-N 2 2 359.430 0.626 10 0 FCAELP CC[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1nnc2n1CCCCC2 ZINC000520396992 490142184 /nfs/dbraw/zinc/14/21/84/490142184.db2.gz YDNQKBFMZXEVAL-CVEARBPZSA-N 2 2 350.511 0.654 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000422101474 490154018 /nfs/dbraw/zinc/15/40/18/490154018.db2.gz DYRNLYCLCBWXDN-MRXNPFEDSA-N 2 2 359.474 0.591 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)CC1 ZINC000422101474 490154025 /nfs/dbraw/zinc/15/40/25/490154025.db2.gz DYRNLYCLCBWXDN-MRXNPFEDSA-N 2 2 359.474 0.591 10 0 FCAELP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000556244628 491305670 /nfs/dbraw/zinc/30/56/70/491305670.db2.gz FZWDRMOXBGDYLN-OAHLLOKOSA-N 2 2 357.458 0.520 10 0 FCAELP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000556244628 491305672 /nfs/dbraw/zinc/30/56/72/491305672.db2.gz FZWDRMOXBGDYLN-OAHLLOKOSA-N 2 2 357.458 0.520 10 0 FCAELP C[C@@H](NC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1)C1=CC[N@@H+](C)CC1 ZINC000556253407 491306097 /nfs/dbraw/zinc/30/60/97/491306097.db2.gz PDWGWQHWLNPFCT-OAHLLOKOSA-N 2 2 371.485 0.933 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCN(C4CC4)C(=O)C3)CC2)CC1 ZINC000507249987 490191931 /nfs/dbraw/zinc/19/19/31/490191931.db2.gz BSHQWAYDVJYJEZ-UHFFFAOYSA-N 2 2 363.506 0.561 10 0 FCAELP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC2)CC1 ZINC000521050163 490219260 /nfs/dbraw/zinc/21/92/60/490219260.db2.gz BTEBJJPGPFGFRU-QGZVFWFLSA-N 2 2 373.501 0.848 10 0 FCAELP C[C@H](CNC(=O)C(=O)NCCc1cn(C)c[nH+]1)[N@@H+]1CCc2ccccc2C1 ZINC000422275037 490220752 /nfs/dbraw/zinc/22/07/52/490220752.db2.gz AJZCGCMDKJYABI-OAHLLOKOSA-N 2 2 369.469 0.642 10 0 FCAELP C[C@H](CNC(=O)C(=O)NCCc1cn(C)c[nH+]1)[N@H+]1CCc2ccccc2C1 ZINC000422275037 490220759 /nfs/dbraw/zinc/22/07/59/490220759.db2.gz AJZCGCMDKJYABI-OAHLLOKOSA-N 2 2 369.469 0.642 10 0 FCAELP COC(=O)[C@@H]1CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000533397960 490227423 /nfs/dbraw/zinc/22/74/23/490227423.db2.gz FCMZEBKUXZCSTH-MRXNPFEDSA-N 2 2 367.490 0.633 10 0 FCAELP COC(=O)[C@@H]1CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000533397960 490227429 /nfs/dbraw/zinc/22/74/29/490227429.db2.gz FCMZEBKUXZCSTH-MRXNPFEDSA-N 2 2 367.490 0.633 10 0 FCAELP CSC1(C[NH2+]Cc2nccn2S(=O)(=O)N(C)C)CC[NH+](C)CC1 ZINC000564536336 491312736 /nfs/dbraw/zinc/31/27/36/491312736.db2.gz FGTZRRJXSYFQHE-UHFFFAOYSA-N 2 2 361.537 0.455 10 0 FCAELP C[NH+]1CCN(C(=O)CC2CC[NH+]([C@H]3CC(=O)N(C4CC4)C3=O)CC2)CC1 ZINC000521797527 490298111 /nfs/dbraw/zinc/29/81/11/490298111.db2.gz YQQDEQWNKRHZRU-INIZCTEOSA-N 2 2 362.474 0.152 10 0 FCAELP C[C@H]1OCC[C@]1(O)C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000447925944 490298487 /nfs/dbraw/zinc/29/84/87/490298487.db2.gz KQEGYIZGCLBTMD-XLIONFOSSA-N 2 2 361.486 0.803 10 0 FCAELP C[C@H]1OCC[C@]1(O)C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000447925944 490298493 /nfs/dbraw/zinc/29/84/93/490298493.db2.gz KQEGYIZGCLBTMD-XLIONFOSSA-N 2 2 361.486 0.803 10 0 FCAELP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000547645799 490333851 /nfs/dbraw/zinc/33/38/51/490333851.db2.gz MRODXLUKGSRPSI-LPHOPBHVSA-N 2 2 373.497 0.980 10 0 FCAELP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000547645799 490333855 /nfs/dbraw/zinc/33/38/55/490333855.db2.gz MRODXLUKGSRPSI-LPHOPBHVSA-N 2 2 373.497 0.980 10 0 FCAELP C[NH+]1CCN(c2cccc(C(=O)N3CC[C@@H](C[NH+]4CCOCC4)C3)n2)CC1 ZINC000534312217 490348794 /nfs/dbraw/zinc/34/87/94/490348794.db2.gz CBXZJDPAKZAZMJ-KRWDZBQOSA-N 2 2 373.501 0.628 10 0 FCAELP NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509374416 490420401 /nfs/dbraw/zinc/42/04/01/490420401.db2.gz UKRGFNUSAZNHJF-SFHVURJKSA-N 2 2 366.531 0.952 10 0 FCAELP NS(=O)(=O)C[C@@H]1CCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509374416 490420405 /nfs/dbraw/zinc/42/04/05/490420405.db2.gz UKRGFNUSAZNHJF-SFHVURJKSA-N 2 2 366.531 0.952 10 0 FCAELP C[NH+]1CCC(CNC(=O)N2CC[C@H](NC(N)=O)C2)([NH+]2CCCCC2)CC1 ZINC000534959478 490429698 /nfs/dbraw/zinc/42/96/98/490429698.db2.gz ITPUEFZWGKINJP-HNNXBMFYSA-N 2 2 366.510 0.389 10 0 FCAELP C[NH+](C)CCN1C[C@H](C(=O)NCc2[nH+]ccn2CC(F)(F)F)CC1=O ZINC000468780699 490446706 /nfs/dbraw/zinc/44/67/06/490446706.db2.gz BHJKEWHNYSUMDC-LLVKDONJSA-N 2 2 361.368 0.472 10 0 FCAELP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000509711614 490453854 /nfs/dbraw/zinc/45/38/54/490453854.db2.gz FYOBWTXWAVMZEQ-UHFFFAOYSA-N 2 2 351.451 0.200 10 0 FCAELP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000509711614 490453856 /nfs/dbraw/zinc/45/38/56/490453856.db2.gz FYOBWTXWAVMZEQ-UHFFFAOYSA-N 2 2 351.451 0.200 10 0 FCAELP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000509711614 490453861 /nfs/dbraw/zinc/45/38/61/490453861.db2.gz FYOBWTXWAVMZEQ-UHFFFAOYSA-N 2 2 351.451 0.200 10 0 FCAELP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000509711614 490453865 /nfs/dbraw/zinc/45/38/65/490453865.db2.gz FYOBWTXWAVMZEQ-UHFFFAOYSA-N 2 2 351.451 0.200 10 0 FCAELP CN(C)S(=O)(=O)c1ccccc1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422817227 490479309 /nfs/dbraw/zinc/47/93/09/490479309.db2.gz HCBSCVIGOHNEAB-NVXWUHKLSA-N 2 2 353.488 0.794 10 0 FCAELP O=C(CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)N1CCN(c2cccc[nH+]2)CC1 ZINC000422844496 490484889 /nfs/dbraw/zinc/48/48/89/490484889.db2.gz LYQYVRUMKTXFKS-FXAWDEMLSA-N 3 2 373.501 0.477 10 0 FCAELP O=C(CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)N1CCN(c2ccccn2)CC1 ZINC000422844496 490484897 /nfs/dbraw/zinc/48/48/97/490484897.db2.gz LYQYVRUMKTXFKS-FXAWDEMLSA-N 2 2 373.501 0.477 10 0 FCAELP C[C@H]1C[N@H+](CCO)CCN1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000556728057 491331019 /nfs/dbraw/zinc/33/10/19/491331019.db2.gz GUJCWTSRYUYRDU-INIZCTEOSA-N 2 2 361.490 0.754 10 0 FCAELP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000556728057 491331020 /nfs/dbraw/zinc/33/10/20/491331020.db2.gz GUJCWTSRYUYRDU-INIZCTEOSA-N 2 2 361.490 0.754 10 0 FCAELP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422912622 490496085 /nfs/dbraw/zinc/49/60/85/490496085.db2.gz NPGFNLYXYGAVSU-RTBURBONSA-N 3 2 360.502 0.835 10 0 FCAELP Cn1cc[nH+]c1N1CC[NH+](C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000535557529 490500781 /nfs/dbraw/zinc/50/07/81/490500781.db2.gz SLJGYYPZQIZROO-CQSZACIVSA-N 2 2 360.414 0.711 10 0 FCAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422980661 490509937 /nfs/dbraw/zinc/50/99/37/490509937.db2.gz MIHCHPNMWISDMJ-UHFFFAOYSA-N 2 2 361.833 0.958 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](c2nncn2C)C(C)C)C1 ZINC000510929388 490549870 /nfs/dbraw/zinc/54/98/70/490549870.db2.gz FWEBPUPNGBYMSR-DOTOQJQBSA-N 2 2 366.510 0.575 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](c2nncn2C)C(C)C)C1 ZINC000510929388 490549873 /nfs/dbraw/zinc/54/98/73/490549873.db2.gz FWEBPUPNGBYMSR-DOTOQJQBSA-N 2 2 366.510 0.575 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000500780554 490552584 /nfs/dbraw/zinc/55/25/84/490552584.db2.gz DJSZIIQLMPGYKU-UHFFFAOYSA-N 2 2 359.474 0.639 10 0 FCAELP C[C@@H]1C[C@@H](NC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CC[N@@H+]1C ZINC000524723031 490555404 /nfs/dbraw/zinc/55/54/04/490555404.db2.gz CQEMHEBPWSBEBZ-WBVHZDCISA-N 2 2 365.522 0.713 10 0 FCAELP C[C@@H]1C[C@@H](NC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CC[N@H+]1C ZINC000524723031 490555410 /nfs/dbraw/zinc/55/54/10/490555410.db2.gz CQEMHEBPWSBEBZ-WBVHZDCISA-N 2 2 365.522 0.713 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCOC[C@@H]2C2CCC2)C1 ZINC000564929081 491338006 /nfs/dbraw/zinc/33/80/06/491338006.db2.gz QRLQHJMCLTVFLV-ZWKOTPCHSA-N 2 2 353.507 0.960 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCOC[C@@H]2C2CCC2)C1 ZINC000564929081 491338008 /nfs/dbraw/zinc/33/80/08/491338008.db2.gz QRLQHJMCLTVFLV-ZWKOTPCHSA-N 2 2 353.507 0.960 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCOC[C@@H]2C2CCC2)C1 ZINC000564929081 491338009 /nfs/dbraw/zinc/33/80/09/491338009.db2.gz QRLQHJMCLTVFLV-ZWKOTPCHSA-N 2 2 353.507 0.960 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCOC[C@@H]2C2CCC2)C1 ZINC000564929081 491338011 /nfs/dbraw/zinc/33/80/11/491338011.db2.gz QRLQHJMCLTVFLV-ZWKOTPCHSA-N 2 2 353.507 0.960 10 0 FCAELP C[C@H](O)C[N@@H+]1CCN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)[C@@H](C)C1 ZINC000526012639 490665356 /nfs/dbraw/zinc/66/53/56/490665356.db2.gz HVYNVVQZGNPYIJ-HOTGVXAUSA-N 2 2 361.490 0.361 10 0 FCAELP C[C@H](O)C[N@H+]1CCN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)[C@@H](C)C1 ZINC000526012639 490665359 /nfs/dbraw/zinc/66/53/59/490665359.db2.gz HVYNVVQZGNPYIJ-HOTGVXAUSA-N 2 2 361.490 0.361 10 0 FCAELP CC(C)(CNC(=O)C[NH2+]C1(CO)Cc2ccccc2C1)[NH+]1CCOCC1 ZINC000512307433 490673241 /nfs/dbraw/zinc/67/32/41/490673241.db2.gz CELCWRIEMYZJOP-UHFFFAOYSA-N 2 2 361.486 0.333 10 0 FCAELP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000572144774 491351792 /nfs/dbraw/zinc/35/17/92/491351792.db2.gz DHLLYMJVHBXEIQ-QGZVFWFLSA-N 2 2 368.522 0.548 10 0 FCAELP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000572144774 491351793 /nfs/dbraw/zinc/35/17/93/491351793.db2.gz DHLLYMJVHBXEIQ-QGZVFWFLSA-N 2 2 368.522 0.548 10 0 FCAELP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000538836652 490753178 /nfs/dbraw/zinc/75/31/78/490753178.db2.gz QRXNEQOKANSAGF-GOSISDBHSA-N 2 2 364.534 0.870 10 0 FCAELP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000538836652 490753180 /nfs/dbraw/zinc/75/31/80/490753180.db2.gz QRXNEQOKANSAGF-GOSISDBHSA-N 2 2 364.534 0.870 10 0 FCAELP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000527810979 490761338 /nfs/dbraw/zinc/76/13/38/490761338.db2.gz SQKDEBXQPLEZCV-INIZCTEOSA-N 2 2 354.495 0.603 10 0 FCAELP C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000527810979 490761342 /nfs/dbraw/zinc/76/13/42/490761342.db2.gz SQKDEBXQPLEZCV-INIZCTEOSA-N 2 2 354.495 0.603 10 0 FCAELP CCCCNc1cc(NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)nc(N)[nH+]1 ZINC000528129639 490779749 /nfs/dbraw/zinc/77/97/49/490779749.db2.gz KBFCTJDDGLRCHD-GOSISDBHSA-N 2 2 364.494 0.720 10 0 FCAELP CCCCNc1cc(NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)nc(N)[nH+]1 ZINC000528129639 490779752 /nfs/dbraw/zinc/77/97/52/490779752.db2.gz KBFCTJDDGLRCHD-GOSISDBHSA-N 2 2 364.494 0.720 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000540978059 490844215 /nfs/dbraw/zinc/84/42/15/490844215.db2.gz PPFKJTMOHIGBRA-KRWDZBQOSA-N 2 2 360.506 0.858 10 0 FCAELP C[C@H]1C[C@@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)c2[nH+]ccn21 ZINC000529330196 490853252 /nfs/dbraw/zinc/85/32/52/490853252.db2.gz JZVAEYGGJXNXGX-UONOGXRCSA-N 2 2 361.450 0.241 10 0 FCAELP CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529329886 490853297 /nfs/dbraw/zinc/85/32/97/490853297.db2.gz JCLIHDUERKBFJQ-CQSZACIVSA-N 2 2 363.466 0.316 10 0 FCAELP NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000516636865 490871891 /nfs/dbraw/zinc/87/18/91/490871891.db2.gz YNXWFLUKKMEYRN-XJKSGUPXSA-N 2 2 366.487 0.737 10 0 FCAELP NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000516636865 490871894 /nfs/dbraw/zinc/87/18/94/490871894.db2.gz YNXWFLUKKMEYRN-XJKSGUPXSA-N 2 2 366.487 0.737 10 0 FCAELP C[N@H+](CC(=O)N1CC[NH2+]CC1)[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000530212097 490892881 /nfs/dbraw/zinc/89/28/81/490892881.db2.gz QUJONDSQBGOSSZ-OAHLLOKOSA-N 2 2 368.840 0.948 10 0 FCAELP C[N@@H+](CC(=O)N1CC[NH2+]CC1)[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000530212097 490892883 /nfs/dbraw/zinc/89/28/83/490892883.db2.gz QUJONDSQBGOSSZ-OAHLLOKOSA-N 2 2 368.840 0.948 10 0 FCAELP Cc1cc(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)ccc1-n1cncn1 ZINC000530241677 490895022 /nfs/dbraw/zinc/89/50/22/490895022.db2.gz GXOUVCCBVQLQRT-UHFFFAOYSA-N 2 2 369.473 0.719 10 0 FCAELP CC(C)(C(N)=O)[NH+]1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000530278485 490897278 /nfs/dbraw/zinc/89/72/78/490897278.db2.gz ZIHZUMQPAFKQLK-UHFFFAOYSA-N 2 2 351.495 0.594 10 0 FCAELP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000542784488 490909148 /nfs/dbraw/zinc/90/91/48/490909148.db2.gz ZPZCALPZIPGMTE-UHFFFAOYSA-N 2 2 364.446 0.242 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](CO)c2cccc(F)c2)C1 ZINC000542884381 490913743 /nfs/dbraw/zinc/91/37/43/490913743.db2.gz XASRENXSWQFVBX-MSOLQXFVSA-N 2 2 367.465 0.922 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](CO)c2cccc(F)c2)C1 ZINC000542884381 490913744 /nfs/dbraw/zinc/91/37/44/490913744.db2.gz XASRENXSWQFVBX-MSOLQXFVSA-N 2 2 367.465 0.922 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)C[N@H+](C)[C@H]2CCSC2)C1=O ZINC000543103937 490922089 /nfs/dbraw/zinc/92/20/89/490922089.db2.gz YBLCNAHZLQFXMH-UONOGXRCSA-N 2 2 365.503 0.465 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)C[N@@H+](C)[C@H]2CCSC2)C1=O ZINC000543103937 490922092 /nfs/dbraw/zinc/92/20/92/490922092.db2.gz YBLCNAHZLQFXMH-UONOGXRCSA-N 2 2 365.503 0.465 10 0 FCAELP COc1cc[nH+]c(N2CC[NH+](C[C@H](O)COC[C@H]3CCCO3)CC2)c1 ZINC000517909045 490924533 /nfs/dbraw/zinc/92/45/33/490924533.db2.gz YBNCIIMTDHEIHU-DOTOQJQBSA-N 2 2 351.447 0.769 10 0 FCAELP O=C(N[C@H](CO)C[NH+]1CCOCC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000517925255 490924906 /nfs/dbraw/zinc/92/49/06/490924906.db2.gz FXBHEYJSCVGEOE-JKSUJKDBSA-N 2 2 357.520 0.013 10 0 FCAELP CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)CC1 ZINC000530926924 490932460 /nfs/dbraw/zinc/93/24/60/490932460.db2.gz HCXFQYIWGOHKMH-HNNXBMFYSA-N 2 2 373.457 0.735 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](Nc2cc[nH+]c(N3CCOCC3)n2)C1=O ZINC000544702019 490977683 /nfs/dbraw/zinc/97/76/83/490977683.db2.gz CPVCZCURTVXWJG-AWEZNQCLSA-N 2 2 371.445 0.650 10 0 FCAELP C[NH+]1CCC2(CC1)C[N@@H+]([C@H]1CCN(CC(=O)OC(C)(C)C)C1=O)CCO2 ZINC000595559873 491942280 /nfs/dbraw/zinc/94/22/80/491942280.db2.gz VTXVKACVCHONJK-HNNXBMFYSA-N 2 2 367.490 0.726 10 0 FCAELP C[NH+]1CCC2(CC1)C[N@H+]([C@H]1CCN(CC(=O)OC(C)(C)C)C1=O)CCO2 ZINC000595559873 491942281 /nfs/dbraw/zinc/94/22/81/491942281.db2.gz VTXVKACVCHONJK-HNNXBMFYSA-N 2 2 367.490 0.726 10 0 FCAELP Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000569686489 491181275 /nfs/dbraw/zinc/18/12/75/491181275.db2.gz MDXXELJDLHRBQL-MSOLQXFVSA-N 2 2 361.465 0.847 10 0 FCAELP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)C1=O ZINC000562734000 491185466 /nfs/dbraw/zinc/18/54/66/491185466.db2.gz UIWHBEDLPIPVEQ-FOIQADDNSA-N 2 2 371.437 0.785 10 0 FCAELP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)C1=O ZINC000562734000 491185469 /nfs/dbraw/zinc/18/54/69/491185469.db2.gz UIWHBEDLPIPVEQ-FOIQADDNSA-N 2 2 371.437 0.785 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)C[NH+]1CCOCC1 ZINC000557414039 491373271 /nfs/dbraw/zinc/37/32/71/491373271.db2.gz WDUIPJXKUPDYDH-AWEZNQCLSA-N 2 2 363.462 0.200 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)C[NH+]1CCOCC1 ZINC000557414039 491373272 /nfs/dbraw/zinc/37/32/72/491373272.db2.gz WDUIPJXKUPDYDH-AWEZNQCLSA-N 2 2 363.462 0.200 10 0 FCAELP C[C@H](CNC(=O)C(=O)NCc1[nH+]ccn1CC(F)(F)F)[N@H+](C)C1CC1 ZINC000557565908 491383952 /nfs/dbraw/zinc/38/39/52/491383952.db2.gz OWRCLPAWPFHGSS-SNVBAGLBSA-N 2 2 361.368 0.661 10 0 FCAELP C[C@H](CNC(=O)C(=O)NCc1[nH+]ccn1CC(F)(F)F)[N@@H+](C)C1CC1 ZINC000557565908 491383956 /nfs/dbraw/zinc/38/39/56/491383956.db2.gz OWRCLPAWPFHGSS-SNVBAGLBSA-N 2 2 361.368 0.661 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000572875624 491399368 /nfs/dbraw/zinc/39/93/68/491399368.db2.gz QUVITGYRHKSOMX-UXLLHSPISA-N 2 2 366.412 0.694 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000572875624 491399371 /nfs/dbraw/zinc/39/93/71/491399371.db2.gz QUVITGYRHKSOMX-UXLLHSPISA-N 2 2 366.412 0.694 10 0 FCAELP CC[NH+](CC)CCS(=O)(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000573766342 491453388 /nfs/dbraw/zinc/45/33/88/491453388.db2.gz UHMUANIOWYMHPI-AWEZNQCLSA-N 2 2 371.507 0.172 10 0 FCAELP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)c1ccccc1 ZINC000573906167 491461793 /nfs/dbraw/zinc/46/17/93/491461793.db2.gz GISRWIPNXJEDRD-JKSUJKDBSA-N 2 2 355.442 0.884 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000559336285 491465759 /nfs/dbraw/zinc/46/57/59/491465759.db2.gz LAZMTBLBRDQDKW-UHFFFAOYSA-N 2 2 356.430 0.442 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C1=O ZINC000574178676 491479018 /nfs/dbraw/zinc/47/90/18/491479018.db2.gz BMUXDVOXVSJGHN-KFWWJZLASA-N 2 2 362.478 0.728 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000574419818 491495235 /nfs/dbraw/zinc/49/52/35/491495235.db2.gz ZFHBAWBPPQVAPR-HOTGVXAUSA-N 2 2 359.474 0.707 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000574419818 491495238 /nfs/dbraw/zinc/49/52/38/491495238.db2.gz ZFHBAWBPPQVAPR-HOTGVXAUSA-N 2 2 359.474 0.707 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000559763197 491497547 /nfs/dbraw/zinc/49/75/47/491497547.db2.gz POLGESQTIMRJLY-OAHLLOKOSA-N 2 2 359.474 0.708 10 0 FCAELP COC(=O)CC[N@@H+]1CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)C[C@@H]1C ZINC000567589953 491515505 /nfs/dbraw/zinc/51/55/05/491515505.db2.gz KRLNBCPFSSVTMK-QMYADUOMSA-N 2 2 367.490 0.615 10 0 FCAELP COC(=O)CC[N@@H+]1CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)C[C@H]1C ZINC000567589951 491515755 /nfs/dbraw/zinc/51/57/55/491515755.db2.gz KRLNBCPFSSVTMK-GTACMHHNSA-N 2 2 367.490 0.615 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000560300004 491529794 /nfs/dbraw/zinc/52/97/94/491529794.db2.gz AMLVDPPPKGBEKY-UHFFFAOYSA-N 2 2 370.457 0.832 10 0 FCAELP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000575015204 491533478 /nfs/dbraw/zinc/53/34/78/491533478.db2.gz UYALHPZNGJHZBA-IRXDYDNUSA-N 2 2 366.506 0.252 10 0 FCAELP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000568164842 491556538 /nfs/dbraw/zinc/55/65/38/491556538.db2.gz BPNMUTIBROXXFK-IAGOWNOFSA-N 2 2 364.490 0.980 10 0 FCAELP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000568164842 491556540 /nfs/dbraw/zinc/55/65/40/491556540.db2.gz BPNMUTIBROXXFK-IAGOWNOFSA-N 2 2 364.490 0.980 10 0 FCAELP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000568164842 491556542 /nfs/dbraw/zinc/55/65/42/491556542.db2.gz BPNMUTIBROXXFK-IAGOWNOFSA-N 2 2 364.490 0.980 10 0 FCAELP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000568164842 491556545 /nfs/dbraw/zinc/55/65/45/491556545.db2.gz BPNMUTIBROXXFK-IAGOWNOFSA-N 2 2 364.490 0.980 10 0 FCAELP C[C@@H]1CN(C)C[C@H]1[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000561402379 491605105 /nfs/dbraw/zinc/60/51/05/491605105.db2.gz ONPLKONEZJGVEC-HZPDHXFCSA-N 2 2 367.519 0.073 10 0 FCAELP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000561402377 491605315 /nfs/dbraw/zinc/60/53/15/491605315.db2.gz ONPLKONEZJGVEC-CVEARBPZSA-N 2 2 367.519 0.073 10 0 FCAELP O=C(CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)N1CC[NH2+]CC1 ZINC000569199979 491641370 /nfs/dbraw/zinc/64/13/70/491641370.db2.gz HASVPDFHMKSMJN-UHFFFAOYSA-N 2 2 366.491 0.682 10 0 FCAELP C[C@]1(F)C[NH2+]CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000576807231 491646624 /nfs/dbraw/zinc/64/66/24/491646624.db2.gz BJDIBQFXAPXXFI-HOTGVXAUSA-N 2 2 360.499 0.537 10 0 FCAELP C[NH+](C)Cc1cc(CNC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)ccc1F ZINC000562012452 491647943 /nfs/dbraw/zinc/64/79/43/491647943.db2.gz ITEITRONVRSKFE-HNNXBMFYSA-N 2 2 373.432 0.831 10 0 FCAELP CC1(C)C[NH+](CC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000576836507 491649116 /nfs/dbraw/zinc/64/91/16/491649116.db2.gz WBZZLKYXOFTLAL-UHFFFAOYSA-N 2 2 359.474 0.578 10 0 FCAELP C[C@@H](NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000577781896 491651898 /nfs/dbraw/zinc/65/18/98/491651898.db2.gz OAFXJRRMCRAYNX-NUWOQIAWSA-N 2 2 368.522 0.448 10 0 FCAELP C[N@@H+]1CCN(C(=O)NCCc2cnc3c(Cl)cnn3c2)[C@@H](C[NH3+])C1 ZINC000577843637 491656401 /nfs/dbraw/zinc/65/64/01/491656401.db2.gz PNFILRSLQUMTDG-LBPRGKRZSA-N 2 2 351.842 0.210 10 0 FCAELP C[N@H+]1CCN(C(=O)NCCc2cnc3c(Cl)cnn3c2)[C@@H](C[NH3+])C1 ZINC000577843637 491656403 /nfs/dbraw/zinc/65/64/03/491656403.db2.gz PNFILRSLQUMTDG-LBPRGKRZSA-N 2 2 351.842 0.210 10 0 FCAELP C(C[NH+]1CCOCC1)N1CC[N@@H+](CCN2CCOCC2)[C@@H]2CCCC[C@H]21 ZINC000578343527 491675124 /nfs/dbraw/zinc/67/51/24/491675124.db2.gz VBGJPZLECCOOME-WOJBJXKFSA-N 2 2 366.550 0.580 10 0 FCAELP C(C[NH+]1CCOCC1)N1CC[N@H+](CCN2CCOCC2)[C@@H]2CCCC[C@H]21 ZINC000578343527 491675125 /nfs/dbraw/zinc/67/51/25/491675125.db2.gz VBGJPZLECCOOME-WOJBJXKFSA-N 2 2 366.550 0.580 10 0 FCAELP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000579266604 491694433 /nfs/dbraw/zinc/69/44/33/491694433.db2.gz NBWYZKSIMJGOJC-MRXNPFEDSA-N 2 2 374.489 0.424 10 0 FCAELP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000579266604 491694434 /nfs/dbraw/zinc/69/44/34/491694434.db2.gz NBWYZKSIMJGOJC-MRXNPFEDSA-N 2 2 374.489 0.424 10 0 FCAELP COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000579296469 491694900 /nfs/dbraw/zinc/69/49/00/491694900.db2.gz ZYORDZNWTIHLHH-KRWDZBQOSA-N 2 2 362.474 0.754 10 0 FCAELP COCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000579296469 491694901 /nfs/dbraw/zinc/69/49/01/491694901.db2.gz ZYORDZNWTIHLHH-KRWDZBQOSA-N 2 2 362.474 0.754 10 0 FCAELP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000579718446 491703784 /nfs/dbraw/zinc/70/37/84/491703784.db2.gz TUYUSBFQUYOQBP-LPHOPBHVSA-N 2 2 358.490 0.589 10 0 FCAELP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000579718446 491703785 /nfs/dbraw/zinc/70/37/85/491703785.db2.gz TUYUSBFQUYOQBP-LPHOPBHVSA-N 2 2 358.490 0.589 10 0 FCAELP C[C@@H]1OCC[C@@]12C[N@H+](CC(=O)NC1CC[NH+](C3CC3)CC1)C[C@@H](C)O2 ZINC000580514903 491734393 /nfs/dbraw/zinc/73/43/93/491734393.db2.gz UVPXSOHICJRTFM-ZRGWGRIASA-N 2 2 351.491 0.998 10 0 FCAELP C[C@@H]1OCC[C@@]12C[N@@H+](CC(=O)NC1CC[NH+](C3CC3)CC1)C[C@@H](C)O2 ZINC000580514903 491734395 /nfs/dbraw/zinc/73/43/95/491734395.db2.gz UVPXSOHICJRTFM-ZRGWGRIASA-N 2 2 351.491 0.998 10 0 FCAELP Cc1ccc(OC[C@@H](O)C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000590790801 491786637 /nfs/dbraw/zinc/78/66/37/491786637.db2.gz DHAYTLFARLGNDG-SFHVURJKSA-N 2 2 361.486 0.975 10 0 FCAELP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@H]3CCCn4cc[nH+]c43)CC[C@H]21 ZINC000582085349 491797353 /nfs/dbraw/zinc/79/73/53/491797353.db2.gz CQJDQYXDNMPQGS-BZUAXINKSA-N 2 2 359.474 0.819 10 0 FCAELP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@H]3CCCn4cc[nH+]c43)CC[C@H]21 ZINC000582085349 491797354 /nfs/dbraw/zinc/79/73/54/491797354.db2.gz CQJDQYXDNMPQGS-BZUAXINKSA-N 2 2 359.474 0.819 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)CN2CC[NH2+]CC2=O)[C@H]1c1ccc(Cl)cc1 ZINC000582544923 491817034 /nfs/dbraw/zinc/81/70/34/491817034.db2.gz CVRKLBQTNXYCKE-RHSMWYFYSA-N 2 2 350.850 0.633 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)CN2CC[NH2+]CC2=O)[C@H]1c1ccc(Cl)cc1 ZINC000582544923 491817035 /nfs/dbraw/zinc/81/70/35/491817035.db2.gz CVRKLBQTNXYCKE-RHSMWYFYSA-N 2 2 350.850 0.633 10 0 FCAELP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)Cc2ccccc21 ZINC000600884353 491888147 /nfs/dbraw/zinc/88/81/47/491888147.db2.gz FBDJAWGRLQMBHS-HZPDHXFCSA-N 2 2 359.426 0.448 10 0 FCAELP COC(=O)[C@@H]1C[N@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)Cc2ccccc21 ZINC000600884353 491888149 /nfs/dbraw/zinc/88/81/49/491888149.db2.gz FBDJAWGRLQMBHS-HZPDHXFCSA-N 2 2 359.426 0.448 10 0 FCAELP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000612037792 491893561 /nfs/dbraw/zinc/89/35/61/491893561.db2.gz RSFGFVUGNXGNFE-JONQDZQNSA-N 2 2 354.495 0.201 10 0 FCAELP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000612037792 491893562 /nfs/dbraw/zinc/89/35/62/491893562.db2.gz RSFGFVUGNXGNFE-JONQDZQNSA-N 2 2 354.495 0.201 10 0 FCAELP CCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000612037792 491893563 /nfs/dbraw/zinc/89/35/63/491893563.db2.gz RSFGFVUGNXGNFE-JONQDZQNSA-N 2 2 354.495 0.201 10 0 FCAELP CCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000612037792 491893564 /nfs/dbraw/zinc/89/35/64/491893564.db2.gz RSFGFVUGNXGNFE-JONQDZQNSA-N 2 2 354.495 0.201 10 0 FCAELP COC(=O)CC[C@H](C(=O)OC)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000595394464 491927749 /nfs/dbraw/zinc/92/77/49/491927749.db2.gz YCUGTPKZMUNCBR-FCLJQHQZSA-N 2 2 367.490 0.724 10 0 FCAELP COC(=O)CC[C@H](C(=O)OC)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000595394464 491927750 /nfs/dbraw/zinc/92/77/50/491927750.db2.gz YCUGTPKZMUNCBR-FCLJQHQZSA-N 2 2 367.490 0.724 10 0 FCAELP COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000595669841 491948091 /nfs/dbraw/zinc/94/80/91/491948091.db2.gz NMAJIBODPYWVIE-FUHWJXTLSA-N 2 2 361.442 0.251 10 0 FCAELP COC(=O)[C@H]1C[C@@H]([N@H+](C)CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000595850575 491956833 /nfs/dbraw/zinc/95/68/33/491956833.db2.gz IEUPMCYRHBMSFU-OWCLPIDISA-N 2 2 355.479 0.343 10 0 FCAELP COC(=O)[C@H]1C[C@@H]([N@@H+](C)CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000595850575 491956835 /nfs/dbraw/zinc/95/68/35/491956835.db2.gz IEUPMCYRHBMSFU-OWCLPIDISA-N 2 2 355.479 0.343 10 0 FCAELP COC(=O)[C@H]1C[C@@H]([NH+](C)CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000595850575 491956837 /nfs/dbraw/zinc/95/68/37/491956837.db2.gz IEUPMCYRHBMSFU-OWCLPIDISA-N 2 2 355.479 0.343 10 0 FCAELP COC(=O)[C@H]1C[C@@H]([NH+](C)CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000595850575 491956839 /nfs/dbraw/zinc/95/68/39/491956839.db2.gz IEUPMCYRHBMSFU-OWCLPIDISA-N 2 2 355.479 0.343 10 0 FCAELP COC(=O)CCN1CCC[C@@H]([N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)C1=O ZINC000595905715 491960257 /nfs/dbraw/zinc/96/02/57/491960257.db2.gz RNDHYUUXBGTPIJ-HZPDHXFCSA-N 2 2 355.479 0.583 10 0 FCAELP COC(=O)CCN1CCC[C@@H]([N@H+]2CCO[C@H](CCC[NH+](C)C)C2)C1=O ZINC000595905715 491960259 /nfs/dbraw/zinc/96/02/59/491960259.db2.gz RNDHYUUXBGTPIJ-HZPDHXFCSA-N 2 2 355.479 0.583 10 0 FCAELP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595908195 491960856 /nfs/dbraw/zinc/96/08/56/491960856.db2.gz ZOJPOQJZCSXYFC-RYUDHWBXSA-N 2 2 368.400 0.806 10 0 FCAELP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595908195 491960858 /nfs/dbraw/zinc/96/08/58/491960858.db2.gz ZOJPOQJZCSXYFC-RYUDHWBXSA-N 2 2 368.400 0.806 10 0 FCAELP CSCC[C@H]([NH3+])C(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000595951704 491964304 /nfs/dbraw/zinc/96/43/04/491964304.db2.gz ZXBHXGQZJHOIPN-IRXDYDNUSA-N 2 2 350.532 0.999 10 0 FCAELP CSCC[C@H]([NH3+])C(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000595951704 491964306 /nfs/dbraw/zinc/96/43/06/491964306.db2.gz ZXBHXGQZJHOIPN-IRXDYDNUSA-N 2 2 350.532 0.999 10 0 FCAELP COC(=O)CC[N@@H+]1CCN(C(=O)c2cc(C3CC[NH2+]CC3)no2)C[C@@H]1C ZINC000595958335 491965276 /nfs/dbraw/zinc/96/52/76/491965276.db2.gz YVQJUHUQLYNPOM-ZDUSSCGKSA-N 2 2 364.446 0.851 10 0 FCAELP COC(=O)CC[N@H+]1CCN(C(=O)c2cc(C3CC[NH2+]CC3)no2)C[C@@H]1C ZINC000595958335 491965277 /nfs/dbraw/zinc/96/52/77/491965277.db2.gz YVQJUHUQLYNPOM-ZDUSSCGKSA-N 2 2 364.446 0.851 10 0 FCAELP CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602195907 491967352 /nfs/dbraw/zinc/96/73/52/491967352.db2.gz PEDGQNPCFPISTL-RDJZCZTQSA-N 2 2 350.507 0.918 10 0 FCAELP CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602195907 491967354 /nfs/dbraw/zinc/96/73/54/491967354.db2.gz PEDGQNPCFPISTL-RDJZCZTQSA-N 2 2 350.507 0.918 10 0 FCAELP CCC(=O)N1CCC[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CC1 ZINC000614357666 492026073 /nfs/dbraw/zinc/02/60/73/492026073.db2.gz SWIXZUXAQUCKPD-KRWDZBQOSA-N 2 2 368.522 0.404 10 0 FCAELP CCC(=O)N1CCC[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CC1 ZINC000614357666 492026075 /nfs/dbraw/zinc/02/60/75/492026075.db2.gz SWIXZUXAQUCKPD-KRWDZBQOSA-N 2 2 368.522 0.404 10 0 FCAELP CCC(=O)N1CCC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000614357666 492026076 /nfs/dbraw/zinc/02/60/76/492026076.db2.gz SWIXZUXAQUCKPD-KRWDZBQOSA-N 2 2 368.522 0.404 10 0 FCAELP CCC(=O)N1CCC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000614357666 492026080 /nfs/dbraw/zinc/02/60/80/492026080.db2.gz SWIXZUXAQUCKPD-KRWDZBQOSA-N 2 2 368.522 0.404 10 0 FCAELP O=C(Nc1ccc2[nH+]ccn2c1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000603882338 492044352 /nfs/dbraw/zinc/04/43/52/492044352.db2.gz RAHBAVBQENDAJM-AWEZNQCLSA-N 2 2 357.414 0.454 10 0 FCAELP C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000615089234 492072397 /nfs/dbraw/zinc/07/23/97/492072397.db2.gz IBWGFXHQIQNFTD-MRXNPFEDSA-N 2 2 351.491 0.953 10 0 FCAELP C[C@@H]1COCC[N@H+]1C1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000615089234 492072399 /nfs/dbraw/zinc/07/23/99/492072399.db2.gz IBWGFXHQIQNFTD-MRXNPFEDSA-N 2 2 351.491 0.953 10 0 FCAELP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC(C[NH+]3CCOCC3)C1)n2C ZINC000615144878 492075408 /nfs/dbraw/zinc/07/54/08/492075408.db2.gz ICHKKTXAOFCPEV-UHFFFAOYSA-N 2 2 358.446 0.439 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC[C@H](O)C(F)(F)F)C2)CC1 ZINC000605876280 492104203 /nfs/dbraw/zinc/10/42/03/492104203.db2.gz CHVPJRUIYHGTIW-AAEUAGOBSA-N 2 2 352.401 0.767 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC[C@H](O)C(F)(F)F)C2)CC1 ZINC000605876280 492104205 /nfs/dbraw/zinc/10/42/05/492104205.db2.gz CHVPJRUIYHGTIW-AAEUAGOBSA-N 2 2 352.401 0.767 10 0 FCAELP C[NH+]1CCC(CNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)(N2CCOCC2)CC1 ZINC000616257616 492123567 /nfs/dbraw/zinc/12/35/67/492123567.db2.gz RRALUFQESAYWSJ-OAHLLOKOSA-N 2 2 361.490 0.427 10 0 FCAELP C[NH+]1CCC(CNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)(N2CCOCC2)CC1 ZINC000616257616 492123569 /nfs/dbraw/zinc/12/35/69/492123569.db2.gz RRALUFQESAYWSJ-OAHLLOKOSA-N 2 2 361.490 0.427 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CCC[C@H](C(N)=O)C3)C2)CC1 ZINC000606690799 492126830 /nfs/dbraw/zinc/12/68/30/492126830.db2.gz NFFSJNNLPDUPAN-KKUMJFAQSA-N 2 2 351.495 0.498 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CCC[C@H](C(N)=O)C3)C2)CC1 ZINC000606690799 492126831 /nfs/dbraw/zinc/12/68/31/492126831.db2.gz NFFSJNNLPDUPAN-KKUMJFAQSA-N 2 2 351.495 0.498 10 0 FCAELP C[NH+](C)C1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000608312826 492172256 /nfs/dbraw/zinc/17/22/56/492172256.db2.gz IZLPLXTWUBDQGX-UHFFFAOYSA-N 2 2 350.467 0.773 10 0 FCAELP C[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000617768520 492190741 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0.971 10 0 FCAELP C[C@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654653834 492333847 /nfs/dbraw/zinc/33/38/47/492333847.db2.gz MKCZMDJPPUXBGN-UUAJXVIYSA-N 2 2 356.511 0.581 10 0 FCAELP C[C@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654653834 492333850 /nfs/dbraw/zinc/33/38/50/492333850.db2.gz MKCZMDJPPUXBGN-UUAJXVIYSA-N 2 2 356.511 0.581 10 0 FCAELP C[C@H](CNC(=O)N1CC[NH+](C[C@H](C)O)C[C@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654653834 492333852 /nfs/dbraw/zinc/33/38/52/492333852.db2.gz MKCZMDJPPUXBGN-UUAJXVIYSA-N 2 2 356.511 0.581 10 0 FCAELP C[C@H](CNC(=O)N1CC[NH+](C[C@H](C)O)C[C@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654653834 492333855 /nfs/dbraw/zinc/33/38/55/492333855.db2.gz MKCZMDJPPUXBGN-UUAJXVIYSA-N 2 2 356.511 0.581 10 0 FCAELP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C[NH+]3CC(C)(C)C3)CC2)CC1 ZINC000654763590 492347546 /nfs/dbraw/zinc/34/75/46/492347546.db2.gz MXSHELUIDYOVDO-UHFFFAOYSA-N 2 2 350.507 0.731 10 0 FCAELP O=C(Cn1c[nH+]c2c1CCCC2)N1CC[NH+](CCc2cnccn2)CC1 ZINC000634509866 492348136 /nfs/dbraw/zinc/34/81/36/492348136.db2.gz DFXMYLDMKIIIJT-UHFFFAOYSA-N 2 2 354.458 0.939 10 0 FCAELP CCn1nc(C)cc1NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000627637768 492355725 /nfs/dbraw/zinc/35/57/25/492355725.db2.gz UGLUUXLMYYKGFO-AWEZNQCLSA-N 2 2 352.483 0.538 10 0 FCAELP CCn1nc(C)cc1NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000627637768 492355727 /nfs/dbraw/zinc/35/57/27/492355727.db2.gz UGLUUXLMYYKGFO-AWEZNQCLSA-N 2 2 352.483 0.538 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@H]2CCCCN(C)C2=O)C1 ZINC000634737379 492365192 /nfs/dbraw/zinc/36/51/92/492365192.db2.gz QGAJQKCJYQCZPF-IRXDYDNUSA-N 2 2 368.522 0.402 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@H]2CCCCN(C)C2=O)C1 ZINC000634737379 492365195 /nfs/dbraw/zinc/36/51/95/492365195.db2.gz QGAJQKCJYQCZPF-IRXDYDNUSA-N 2 2 368.522 0.402 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)[C@H]2CCCCN(C)C2=O)C1 ZINC000634737379 492365198 /nfs/dbraw/zinc/36/51/98/492365198.db2.gz QGAJQKCJYQCZPF-IRXDYDNUSA-N 2 2 368.522 0.402 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)[C@H]2CCCCN(C)C2=O)C1 ZINC000634737379 492365202 /nfs/dbraw/zinc/36/52/02/492365202.db2.gz QGAJQKCJYQCZPF-IRXDYDNUSA-N 2 2 368.522 0.402 10 0 FCAELP COCC(COC)[NH+]1CCN(C(=O)[C@H]2CCn3cc(C)[nH+]c3C2)CC1 ZINC000627743908 492371552 /nfs/dbraw/zinc/37/15/52/492371552.db2.gz UQKAVKOTZMQSQS-HNNXBMFYSA-N 2 2 350.463 0.560 10 0 FCAELP NC(=O)COc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647904184 492381185 /nfs/dbraw/zinc/38/11/85/492381185.db2.gz YBRIJSTVOQQVIQ-FUHWJXTLSA-N 2 2 374.485 0.631 10 0 FCAELP NC(=O)COc1ccc(CNC(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647904184 492381189 /nfs/dbraw/zinc/38/11/89/492381189.db2.gz YBRIJSTVOQQVIQ-FUHWJXTLSA-N 2 2 374.485 0.631 10 0 FCAELP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)COC3(C)C[NH2+]C3)c2)CC1 ZINC000648164517 492410811 /nfs/dbraw/zinc/41/08/11/492410811.db2.gz HBSWHDAZAVDPSQ-UHFFFAOYSA-N 2 2 360.458 0.668 10 0 FCAELP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)C2 ZINC000622027766 492443754 /nfs/dbraw/zinc/44/37/54/492443754.db2.gz HQXDDMLXZXFESJ-BXWFABGCSA-N 2 2 364.490 0.040 10 0 FCAELP CN1CCC[C@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1=O ZINC000648991248 492481265 /nfs/dbraw/zinc/48/12/65/492481265.db2.gz CXVUBRVSVWQSRU-MRXNPFEDSA-N 2 2 350.507 0.921 10 0 FCAELP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655912463 492486432 /nfs/dbraw/zinc/48/64/32/492486432.db2.gz OICLQQHGUHWGLM-SNVBAGLBSA-N 2 2 372.355 0.085 10 0 FCAELP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000649071549 492488611 /nfs/dbraw/zinc/48/86/11/492488611.db2.gz MOORRDMCUVJNAM-ZBFHGGJFSA-N 2 2 352.479 0.208 10 0 FCAELP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000649071549 492488614 /nfs/dbraw/zinc/48/86/14/492488614.db2.gz MOORRDMCUVJNAM-ZBFHGGJFSA-N 2 2 352.479 0.208 10 0 FCAELP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000649074438 492491481 /nfs/dbraw/zinc/49/14/81/492491481.db2.gz IRTQUKYRXLTRKA-WMZOPIPTSA-N 2 2 374.485 0.466 10 0 FCAELP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000649074438 492491484 /nfs/dbraw/zinc/49/14/84/492491484.db2.gz IRTQUKYRXLTRKA-WMZOPIPTSA-N 2 2 374.485 0.466 10 0 FCAELP CCC(CC)[C@@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)[NH+]1CCOCC1 ZINC000649074359 492491499 /nfs/dbraw/zinc/49/14/99/492491499.db2.gz GWZNUZUSZWQSNR-RDJZCZTQSA-N 2 2 368.522 0.702 10 0 FCAELP CC[NH+](CC)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000635737031 492499611 /nfs/dbraw/zinc/49/96/11/492499611.db2.gz QCPYGZPYYKEACM-RRFJBIMHSA-N 2 2 368.503 0.871 10 0 FCAELP CC[NH+](CC)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC000635737031 492499616 /nfs/dbraw/zinc/49/96/16/492499616.db2.gz QCPYGZPYYKEACM-RRFJBIMHSA-N 2 2 368.503 0.871 10 0 FCAELP NC(=O)c1cn(C2CC[NH+](Cc3ccnn3-c3cc[nH+]cc3)CC2)nn1 ZINC000628426115 492501661 /nfs/dbraw/zinc/50/16/61/492501661.db2.gz JZPXQTKMPVBCJJ-UHFFFAOYSA-N 2 2 352.402 0.795 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656017831 492518082 /nfs/dbraw/zinc/51/80/82/492518082.db2.gz HZWJRWNZURHMOX-SOUVJXGZSA-N 2 2 354.495 0.378 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656017831 492518083 /nfs/dbraw/zinc/51/80/83/492518083.db2.gz HZWJRWNZURHMOX-SOUVJXGZSA-N 2 2 354.495 0.378 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656024187 492519965 /nfs/dbraw/zinc/51/99/65/492519965.db2.gz NVEXYEOQSFYLPV-IFTGGNMHSA-N 2 2 366.506 0.105 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656024187 492519967 /nfs/dbraw/zinc/51/99/67/492519967.db2.gz NVEXYEOQSFYLPV-IFTGGNMHSA-N 2 2 366.506 0.105 10 0 FCAELP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656041313 492522629 /nfs/dbraw/zinc/52/26/29/492522629.db2.gz PTWHZAPYYOTFFQ-QMHWVQJVSA-N 2 2 354.495 0.186 10 0 FCAELP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656041313 492522634 /nfs/dbraw/zinc/52/26/34/492522634.db2.gz PTWHZAPYYOTFFQ-QMHWVQJVSA-N 2 2 354.495 0.186 10 0 FCAELP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656039746 492522797 /nfs/dbraw/zinc/52/27/97/492522797.db2.gz FIIIKVKCFOIBQA-KOWPAETKSA-N 2 2 366.506 0.186 10 0 FCAELP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656039746 492522801 /nfs/dbraw/zinc/52/28/01/492522801.db2.gz FIIIKVKCFOIBQA-KOWPAETKSA-N 2 2 366.506 0.186 10 0 FCAELP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656039773 492522809 /nfs/dbraw/zinc/52/28/09/492522809.db2.gz 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2 2 362.474 0.892 10 0 FCAELP O=S(=O)(c1ccccc1Cn1cc[nH+]c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651882689 492840158 /nfs/dbraw/zinc/84/01/58/492840158.db2.gz YGQOHEMIBWDMHA-MRXNPFEDSA-N 2 2 362.455 0.371 10 0 FCAELP O=S(=O)(c1ccccc1Cn1cc[nH+]c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651882689 492840165 /nfs/dbraw/zinc/84/01/65/492840165.db2.gz YGQOHEMIBWDMHA-MRXNPFEDSA-N 2 2 362.455 0.371 10 0 FCAELP CN1c2ccccc2C[C@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1=O ZINC000658111028 492840998 /nfs/dbraw/zinc/84/09/98/492840998.db2.gz LAXFZWSNXWEQSV-IBGZPJMESA-N 2 2 372.513 0.960 10 0 FCAELP CN1c2ccccc2C[C@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1=O ZINC000658111028 492841003 /nfs/dbraw/zinc/84/10/03/492841003.db2.gz LAXFZWSNXWEQSV-IBGZPJMESA-N 2 2 372.513 0.960 10 0 FCAELP C[N@@H+]1CCO[C@H](CS(=O)(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000631735186 492844689 /nfs/dbraw/zinc/84/46/89/492844689.db2.gz XOZVMQIZXGTSSS-MSOLQXFVSA-N 2 2 367.515 0.901 10 0 FCAELP C[N@H+]1CCO[C@H](CS(=O)(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000631735186 492844692 /nfs/dbraw/zinc/84/46/92/492844692.db2.gz XOZVMQIZXGTSSS-MSOLQXFVSA-N 2 2 367.515 0.901 10 0 FCAELP C[NH+]1CCO[C@H](CS(=O)(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000631735186 492844696 /nfs/dbraw/zinc/84/46/96/492844696.db2.gz XOZVMQIZXGTSSS-MSOLQXFVSA-N 2 2 367.515 0.901 10 0 FCAELP C[NH+]1CCO[C@H](CS(=O)(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000631735186 492844700 /nfs/dbraw/zinc/84/47/00/492844700.db2.gz XOZVMQIZXGTSSS-MSOLQXFVSA-N 2 2 367.515 0.901 10 0 FCAELP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000625626563 492846130 /nfs/dbraw/zinc/84/61/30/492846130.db2.gz XZUMYMLSGFODJI-HOCLYGCPSA-N 2 2 359.474 0.869 10 0 FCAELP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000625626563 492846133 /nfs/dbraw/zinc/84/61/33/492846133.db2.gz XZUMYMLSGFODJI-HOCLYGCPSA-N 2 2 359.474 0.869 10 0 FCAELP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNS(=O)(=O)C[C@H]2C[NH+](C)CCO2)C1 ZINC000631757996 492847722 /nfs/dbraw/zinc/84/77/22/492847722.db2.gz ONVUSQNVQQGPID-IXDOHACOSA-N 2 2 361.552 0.995 10 0 FCAELP C[C@@H]1C[C@H](C)C[N@H+](CCCCNS(=O)(=O)C[C@H]2C[NH+](C)CCO2)C1 ZINC000631757996 492847726 /nfs/dbraw/zinc/84/77/26/492847726.db2.gz ONVUSQNVQQGPID-IXDOHACOSA-N 2 2 361.552 0.995 10 0 FCAELP C[C@@H]1C[C@H](C)C[NH+](CCCCNS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)C1 ZINC000631757996 492847731 /nfs/dbraw/zinc/84/77/31/492847731.db2.gz ONVUSQNVQQGPID-IXDOHACOSA-N 2 2 361.552 0.995 10 0 FCAELP C[C@@H]1C[C@H](C)C[NH+](CCCCNS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)C1 ZINC000631757996 492847738 /nfs/dbraw/zinc/84/77/38/492847738.db2.gz ONVUSQNVQQGPID-IXDOHACOSA-N 2 2 361.552 0.995 10 0 FCAELP Cc1ccc([C@H](CNS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)[NH+](C)C)cc1 ZINC000631812378 492856819 /nfs/dbraw/zinc/85/68/19/492856819.db2.gz HQSHKSCCEFLCLK-SJORKVTESA-N 2 2 355.504 0.848 10 0 FCAELP Cc1ccc([C@H](CNS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)[NH+](C)C)cc1 ZINC000631812378 492856822 /nfs/dbraw/zinc/85/68/22/492856822.db2.gz HQSHKSCCEFLCLK-SJORKVTESA-N 2 2 355.504 0.848 10 0 FCAELP Cc1ccc([C@H](CNS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)[NH+](C)C)cc1 ZINC000631812377 492856838 /nfs/dbraw/zinc/85/68/38/492856838.db2.gz HQSHKSCCEFLCLK-IRXDYDNUSA-N 2 2 355.504 0.848 10 0 FCAELP Cc1ccc([C@H](CNS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)[NH+](C)C)cc1 ZINC000631812377 492856841 /nfs/dbraw/zinc/85/68/41/492856841.db2.gz HQSHKSCCEFLCLK-IRXDYDNUSA-N 2 2 355.504 0.848 10 0 FCAELP Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(=O)[nH]1 ZINC000658335745 492861982 /nfs/dbraw/zinc/86/19/82/492861982.db2.gz FUZWXJVRLJMQKA-ZDUSSCGKSA-N 2 2 351.451 0.422 10 0 FCAELP Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(=O)[nH]1 ZINC000658335745 492861985 /nfs/dbraw/zinc/86/19/85/492861985.db2.gz FUZWXJVRLJMQKA-ZDUSSCGKSA-N 2 2 351.451 0.422 10 0 FCAELP Cc1ccc([C@@H](CNS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)[NH+]2CCCC2)o1 ZINC000631875899 492867392 /nfs/dbraw/zinc/86/73/92/492867392.db2.gz BGUCHDJHDBPRPV-HZPDHXFCSA-N 2 2 371.503 0.975 10 0 FCAELP Cc1ccc([C@@H](CNS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)[NH+]2CCCC2)o1 ZINC000631875899 492867394 /nfs/dbraw/zinc/86/73/94/492867394.db2.gz BGUCHDJHDBPRPV-HZPDHXFCSA-N 2 2 371.503 0.975 10 0 FCAELP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)N1CCN(C(=O)c2ccco2)CC1 ZINC000631888471 492870284 /nfs/dbraw/zinc/87/02/84/492870284.db2.gz ZUWQIPNFCRAFES-CVEARBPZSA-N 2 2 360.458 0.638 10 0 FCAELP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)N1CCN(C(=O)c2ccco2)CC1 ZINC000631888471 492870288 /nfs/dbraw/zinc/87/02/88/492870288.db2.gz ZUWQIPNFCRAFES-CVEARBPZSA-N 2 2 360.458 0.638 10 0 FCAELP Cn1cc[nH+]c1[C@H](NS(=O)(=O)C[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000631911019 492876898 /nfs/dbraw/zinc/87/68/98/492876898.db2.gz TYDVKLNNAUPMCX-HUUCEWRRSA-N 2 2 350.444 0.417 10 0 FCAELP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000631909910 492876916 /nfs/dbraw/zinc/87/69/16/492876916.db2.gz SIYNTDNUJRKAJW-KRWDZBQOSA-N 2 2 369.487 0.001 10 0 FCAELP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000658418811 492877501 /nfs/dbraw/zinc/87/75/01/492877501.db2.gz VIFZZVWJUCVUDQ-HNNXBMFYSA-N 2 2 359.474 0.719 10 0 FCAELP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000658418811 492877505 /nfs/dbraw/zinc/87/75/05/492877505.db2.gz VIFZZVWJUCVUDQ-HNNXBMFYSA-N 2 2 359.474 0.719 10 0 FCAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000645239981 492882925 /nfs/dbraw/zinc/88/29/25/492882925.db2.gz UENLNIFHBLKYDW-CQSZACIVSA-N 2 2 350.467 0.801 10 0 FCAELP CCn1nc(C)c(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1C ZINC000658429056 492886474 /nfs/dbraw/zinc/88/64/74/492886474.db2.gz RHGPIZYMEZLNJH-UHFFFAOYSA-N 2 2 352.483 0.458 10 0 FCAELP CCn1nc(C)c(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1C ZINC000658429056 492886477 /nfs/dbraw/zinc/88/64/77/492886477.db2.gz RHGPIZYMEZLNJH-UHFFFAOYSA-N 2 2 352.483 0.458 10 0 FCAELP COc1cc(F)c(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1F ZINC000658429432 492886496 /nfs/dbraw/zinc/88/64/96/492886496.db2.gz WLYTYEGPAQXBLO-UHFFFAOYSA-N 2 2 372.416 0.912 10 0 FCAELP COc1cc(F)c(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1F ZINC000658429432 492886499 /nfs/dbraw/zinc/88/64/99/492886499.db2.gz WLYTYEGPAQXBLO-UHFFFAOYSA-N 2 2 372.416 0.912 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1nc2c(s1)COCC2 ZINC000658428623 492886514 /nfs/dbraw/zinc/88/65/14/492886514.db2.gz WGOCTKMGGFKGEG-UHFFFAOYSA-N 2 2 369.491 0.154 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1nc2c(s1)COCC2 ZINC000658428623 492886516 /nfs/dbraw/zinc/88/65/16/492886516.db2.gz WGOCTKMGGFKGEG-UHFFFAOYSA-N 2 2 369.491 0.154 10 0 FCAELP CN(Cc1[nH+]ccn1Cc1ccccc1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631924431 492886754 /nfs/dbraw/zinc/88/67/54/492886754.db2.gz VBJRRNXRIYNGHI-INIZCTEOSA-N 2 2 364.471 0.681 10 0 FCAELP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000631935963 492891001 /nfs/dbraw/zinc/89/10/01/492891001.db2.gz POSKKCLVKUGEQE-IUODEOHRSA-N 2 2 359.879 0.605 10 0 FCAELP CCc1ccc([C@H]2C[NH2+]CCN2S(=O)(=O)C[C@H]2C[NH2+]CCO2)cc1 ZINC000631935673 492891240 /nfs/dbraw/zinc/89/12/40/492891240.db2.gz LACNHDLPGOQZKG-IAGOWNOFSA-N 2 2 353.488 0.514 10 0 FCAELP C[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1=O ZINC000638080788 492900637 /nfs/dbraw/zinc/90/06/37/492900637.db2.gz QUNURVLROGHDOH-FUHWJXTLSA-N 2 2 358.486 0.835 10 0 FCAELP C[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1=O ZINC000638080788 492900640 /nfs/dbraw/zinc/90/06/40/492900640.db2.gz QUNURVLROGHDOH-FUHWJXTLSA-N 2 2 358.486 0.835 10 0 FCAELP C[C@H](C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)N1CC[NH2+]CC1=O ZINC000638132901 492914220 /nfs/dbraw/zinc/91/42/20/492914220.db2.gz XPBCJTIZJUMQOB-DLBZAZTESA-N 2 2 358.486 0.930 10 0 FCAELP C[C@H](C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)N1CC[NH2+]CC1=O ZINC000638132901 492914224 /nfs/dbraw/zinc/91/42/24/492914224.db2.gz XPBCJTIZJUMQOB-DLBZAZTESA-N 2 2 358.486 0.930 10 0 FCAELP C[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038898 492921781 /nfs/dbraw/zinc/92/17/81/492921781.db2.gz HFABQLMQKCIMMG-GASCZTMLSA-N 2 2 350.488 0.588 10 0 FCAELP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038898 492921784 /nfs/dbraw/zinc/92/17/84/492921784.db2.gz HFABQLMQKCIMMG-GASCZTMLSA-N 2 2 350.488 0.588 10 0 FCAELP Cc1c[nH+]cn1CC(=O)NC[C@@H](NC(=O)Cn1c[nH+]cc1C)C(F)(F)F ZINC000626136013 492936199 /nfs/dbraw/zinc/93/61/99/492936199.db2.gz NIWOHIOFOZAOEP-GFCCVEGCSA-N 2 2 372.351 0.560 10 0 FCAELP CC(=O)NC[C@H]1CCCC[NH+]1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000626154795 492938564 /nfs/dbraw/zinc/93/85/64/492938564.db2.gz XNZZUDCXQFGYEB-MSOLQXFVSA-N 2 2 368.522 0.450 10 0 FCAELP CC(=O)NC[C@H]1CCCC[NH+]1CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000626154795 492938571 /nfs/dbraw/zinc/93/85/71/492938571.db2.gz XNZZUDCXQFGYEB-MSOLQXFVSA-N 2 2 368.522 0.450 10 0 FCAELP CC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000626154795 492938572 /nfs/dbraw/zinc/93/85/72/492938572.db2.gz XNZZUDCXQFGYEB-MSOLQXFVSA-N 2 2 368.522 0.450 10 0 FCAELP CC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000626154795 492938578 /nfs/dbraw/zinc/93/85/78/492938578.db2.gz XNZZUDCXQFGYEB-MSOLQXFVSA-N 2 2 368.522 0.450 10 0 FCAELP CNS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000626169684 492941639 /nfs/dbraw/zinc/94/16/39/492941639.db2.gz QELVCYVKDBHBRC-QZTJIDSGSA-N 2 2 369.531 0.741 10 0 FCAELP CNS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000626169684 492941645 /nfs/dbraw/zinc/94/16/45/492941645.db2.gz QELVCYVKDBHBRC-QZTJIDSGSA-N 2 2 369.531 0.741 10 0 FCAELP CNS(=O)(=O)C[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000626169684 492941649 /nfs/dbraw/zinc/94/16/49/492941649.db2.gz QELVCYVKDBHBRC-QZTJIDSGSA-N 2 2 369.531 0.741 10 0 FCAELP CNS(=O)(=O)C[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000626169684 492941654 /nfs/dbraw/zinc/94/16/54/492941654.db2.gz QELVCYVKDBHBRC-QZTJIDSGSA-N 2 2 369.531 0.741 10 0 FCAELP C[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)C[C@H]1C[NH+](C)CCO1 ZINC000632184054 492946715 /nfs/dbraw/zinc/94/67/15/492946715.db2.gz MIVAMMBXDAYMFC-NVXWUHKLSA-N 2 2 355.504 0.757 10 0 FCAELP C[C@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)C[C@H]1C[NH+](C)CCO1 ZINC000632184054 492946719 /nfs/dbraw/zinc/94/67/19/492946719.db2.gz MIVAMMBXDAYMFC-NVXWUHKLSA-N 2 2 355.504 0.757 10 0 FCAELP C[C@H](C[NH+](C)Cc1ccccc1)NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632184054 492946723 /nfs/dbraw/zinc/94/67/23/492946723.db2.gz MIVAMMBXDAYMFC-NVXWUHKLSA-N 2 2 355.504 0.757 10 0 FCAELP C[C@H](C[NH+](C)Cc1ccccc1)NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632184054 492946726 /nfs/dbraw/zinc/94/67/26/492946726.db2.gz MIVAMMBXDAYMFC-NVXWUHKLSA-N 2 2 355.504 0.757 10 0 FCAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)C[C@H]1C[NH+](C)CCO1 ZINC000632217098 492952250 /nfs/dbraw/zinc/95/22/50/492952250.db2.gz SMRMLUPECSSABP-NXHRZFHOSA-N 2 2 367.515 0.757 10 0 FCAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)C[C@H]1C[NH+](C)CCO1 ZINC000632217098 492952256 /nfs/dbraw/zinc/95/22/56/492952256.db2.gz SMRMLUPECSSABP-NXHRZFHOSA-N 2 2 367.515 0.757 10 0 FCAELP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632217098 492952260 /nfs/dbraw/zinc/95/22/60/492952260.db2.gz SMRMLUPECSSABP-NXHRZFHOSA-N 2 2 367.515 0.757 10 0 FCAELP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632217098 492952264 /nfs/dbraw/zinc/95/22/64/492952264.db2.gz SMRMLUPECSSABP-NXHRZFHOSA-N 2 2 367.515 0.757 10 0 FCAELP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000652692060 492992009 /nfs/dbraw/zinc/99/20/09/492992009.db2.gz HXMMPXLHKUFTBG-KRWDZBQOSA-N 2 2 367.453 0.812 10 0 FCAELP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000652721309 493002521 /nfs/dbraw/zinc/00/25/21/493002521.db2.gz YEDRWNHEJOBNNT-GOSISDBHSA-N 2 2 374.485 0.345 10 0 FCAELP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)N1CCO[C@H]3CCCC[C@@H]31)CCO2 ZINC000646104392 493013367 /nfs/dbraw/zinc/01/33/67/493013367.db2.gz LQTKPUUJBZZYJC-IRXDYDNUSA-N 2 2 351.491 0.953 10 0 FCAELP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)N1CCO[C@H]3CCCC[C@@H]31)CCO2 ZINC000646104392 493013371 /nfs/dbraw/zinc/01/33/71/493013371.db2.gz LQTKPUUJBZZYJC-IRXDYDNUSA-N 2 2 351.491 0.953 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000632550087 493027324 /nfs/dbraw/zinc/02/73/24/493027324.db2.gz PRBCTNUKWKKYPN-UHFFFAOYSA-N 2 2 357.402 0.590 10 0 FCAELP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626828620 493028594 /nfs/dbraw/zinc/02/85/94/493028594.db2.gz WXMLBZNEGDXVQL-IYBDPMFKSA-N 2 2 374.441 0.087 10 0 FCAELP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626828620 493028596 /nfs/dbraw/zinc/02/85/96/493028596.db2.gz WXMLBZNEGDXVQL-IYBDPMFKSA-N 2 2 374.441 0.087 10 0 FCAELP C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C[NH2+]1 ZINC000626888826 493051788 /nfs/dbraw/zinc/05/17/88/493051788.db2.gz PTOPUUPCIWOUHU-YJBOKZPZSA-N 2 2 373.501 0.629 10 0 FCAELP [NH3+]C1(CNC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCOCC1 ZINC000626921348 493064031 /nfs/dbraw/zinc/06/40/31/493064031.db2.gz XODGGEHRXBCUML-QGZVFWFLSA-N 2 2 362.474 0.695 10 0 FCAELP [NH3+]C1(CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCOCC1 ZINC000626921348 493064034 /nfs/dbraw/zinc/06/40/34/493064034.db2.gz XODGGEHRXBCUML-QGZVFWFLSA-N 2 2 362.474 0.695 10 0 FCAELP Cc1ccc(C[NH+]2CC[C@H](NS(=O)(=O)C[C@@H]3C[N@H+](C)CCO3)C2)cc1 ZINC000632706817 493068120 /nfs/dbraw/zinc/06/81/20/493068120.db2.gz SSKNHGSBTZSASH-ROUUACIJSA-N 2 2 367.515 0.819 10 0 FCAELP Cc1ccc(C[NH+]2CC[C@H](NS(=O)(=O)C[C@@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC000632706817 493068122 /nfs/dbraw/zinc/06/81/22/493068122.db2.gz SSKNHGSBTZSASH-ROUUACIJSA-N 2 2 367.515 0.819 10 0 FCAELP Cc1ccc(C[N@H+]2CC[C@H](NS(=O)(=O)C[C@@H]3C[NH+](C)CCO3)C2)cc1 ZINC000632706817 493068125 /nfs/dbraw/zinc/06/81/25/493068125.db2.gz SSKNHGSBTZSASH-ROUUACIJSA-N 2 2 367.515 0.819 10 0 FCAELP Cc1ccc(C[N@@H+]2CC[C@H](NS(=O)(=O)C[C@@H]3C[NH+](C)CCO3)C2)cc1 ZINC000632706817 493068129 /nfs/dbraw/zinc/06/81/29/493068129.db2.gz SSKNHGSBTZSASH-ROUUACIJSA-N 2 2 367.515 0.819 10 0 FCAELP C[NH2+]CCOCCN(C)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000626946589 493069175 /nfs/dbraw/zinc/06/91/75/493069175.db2.gz UESXZSDSIWUSDA-INIZCTEOSA-N 2 2 360.524 0.072 10 0 FCAELP CCN(C(=O)C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[N@H+](CC)C1 ZINC000658823678 493070258 /nfs/dbraw/zinc/07/02/58/493070258.db2.gz WPTHIZOEIRKOLZ-NCOADZHNSA-N 2 2 368.522 0.543 10 0 FCAELP CCN(C(=O)C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000658823678 493070262 /nfs/dbraw/zinc/07/02/62/493070262.db2.gz WPTHIZOEIRKOLZ-NCOADZHNSA-N 2 2 368.522 0.543 10 0 FCAELP CCN(C(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH+](CC)C1 ZINC000658823678 493070264 /nfs/dbraw/zinc/07/02/64/493070264.db2.gz WPTHIZOEIRKOLZ-NCOADZHNSA-N 2 2 368.522 0.543 10 0 FCAELP CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH+](CC)C1 ZINC000658823678 493070269 /nfs/dbraw/zinc/07/02/69/493070269.db2.gz WPTHIZOEIRKOLZ-NCOADZHNSA-N 2 2 368.522 0.543 10 0 FCAELP CCN(C(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000658826106 493073317 /nfs/dbraw/zinc/07/33/17/493073317.db2.gz ONFNSJUOBGARHR-MRXNPFEDSA-N 2 2 374.489 0.376 10 0 FCAELP CCN(C(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000658826106 493073320 /nfs/dbraw/zinc/07/33/20/493073320.db2.gz ONFNSJUOBGARHR-MRXNPFEDSA-N 2 2 374.489 0.376 10 0 FCAELP COc1cc(OC)cc(N2CC[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C2)c1 ZINC000653123705 493074835 /nfs/dbraw/zinc/07/48/35/493074835.db2.gz DRWKNFCKKBFPOM-KSSFIOAISA-N 2 2 364.490 0.925 10 0 FCAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000653127052 493075691 /nfs/dbraw/zinc/07/56/91/493075691.db2.gz XJIZBRVVFVRHKT-NVXWUHKLSA-N 2 2 373.501 0.869 10 0 FCAELP Cc1cc2c(ncnc2N2CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC2)s1 ZINC000653155754 493078952 /nfs/dbraw/zinc/07/89/52/493078952.db2.gz FJBBPCXZHGKLND-AWEZNQCLSA-N 2 2 362.503 0.927 10 0 FCAELP COCCOCC[NH+]1CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000653275535 493087713 /nfs/dbraw/zinc/08/77/13/493087713.db2.gz HSKJULCXMOWWRA-GPMSIDNRSA-N 2 2 369.506 0.326 10 0 FCAELP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)CCO1 ZINC000627225186 493110406 /nfs/dbraw/zinc/11/04/06/493110406.db2.gz VBPSRBRVKYDARW-UAGQMJEPSA-N 2 2 363.462 0.040 10 0 FCAELP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)CCO1 ZINC000627225186 493110410 /nfs/dbraw/zinc/11/04/10/493110410.db2.gz VBPSRBRVKYDARW-UAGQMJEPSA-N 2 2 363.462 0.040 10 0 FCAELP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000653391452 493115419 /nfs/dbraw/zinc/11/54/19/493115419.db2.gz CSXHOHAAEIFVOW-JKSUJKDBSA-N 2 2 356.511 0.306 10 0 FCAELP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000653391452 493115423 /nfs/dbraw/zinc/11/54/23/493115423.db2.gz CSXHOHAAEIFVOW-JKSUJKDBSA-N 2 2 356.511 0.306 10 0 FCAELP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3C[C@@H](C[NH3+])[C@H](C)C3)CC2)c1 ZINC000633077417 493116869 /nfs/dbraw/zinc/11/68/69/493116869.db2.gz VHYMMHDYFBIZKN-SJLPKXTDSA-N 2 2 358.486 0.692 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N(C)Cc2[nH+]ccn2Cc2ccccc2)C[C@H]1C[NH3+] ZINC000633087300 493119307 /nfs/dbraw/zinc/11/93/07/493119307.db2.gz CUMSGXIIRIZEFU-NVXWUHKLSA-N 2 2 369.469 0.943 10 0 FCAELP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000633094667 493122589 /nfs/dbraw/zinc/12/25/89/493122589.db2.gz XSHVYBCBDZZAFJ-XHSDSOJGSA-N 2 2 354.495 0.284 10 0 FCAELP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000633094667 493122592 /nfs/dbraw/zinc/12/25/92/493122592.db2.gz XSHVYBCBDZZAFJ-XHSDSOJGSA-N 2 2 354.495 0.284 10 0 FCAELP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000633095369 493122601 /nfs/dbraw/zinc/12/26/01/493122601.db2.gz SPRAJFOSHRXBFC-INIZCTEOSA-N 2 2 354.495 0.286 10 0 FCAELP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000633118017 493133369 /nfs/dbraw/zinc/13/33/69/493133369.db2.gz HMVQYDBXERUCSG-ILXRZTDVSA-N 2 2 359.474 0.874 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000627297487 493140405 /nfs/dbraw/zinc/14/04/05/493140405.db2.gz KXSJWUZWDYQJQD-DFBGVHRSSA-N 2 2 368.840 0.819 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000627297487 493140407 /nfs/dbraw/zinc/14/04/07/493140407.db2.gz KXSJWUZWDYQJQD-DFBGVHRSSA-N 2 2 368.840 0.819 10 0 FCAELP COc1ccc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1N ZINC000659094771 493149122 /nfs/dbraw/zinc/14/91/22/493149122.db2.gz PUTHENLICISQAF-UHFFFAOYSA-N 2 2 351.451 0.216 10 0 FCAELP COc1ccc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1N ZINC000659094771 493149125 /nfs/dbraw/zinc/14/91/25/493149125.db2.gz PUTHENLICISQAF-UHFFFAOYSA-N 2 2 351.451 0.216 10 0 FCAELP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627324498 493154053 /nfs/dbraw/zinc/15/40/53/493154053.db2.gz CRFZFQKQXYRUSM-HNNXBMFYSA-N 2 2 357.458 0.699 10 0 FCAELP CCN(CC)c1ccc(CNC(=O)C(=O)NCC2([NH3+])CCOCC2)c[nH+]1 ZINC000627338746 493161449 /nfs/dbraw/zinc/16/14/49/493161449.db2.gz PJEZRIZCDYFKEZ-UHFFFAOYSA-N 2 2 363.462 0.168 10 0 FCAELP NS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(F)c1 ZINC000647193307 493175600 /nfs/dbraw/zinc/17/56/00/493175600.db2.gz UTVCMHJHDYBNGY-DLBZAZTESA-N 2 2 371.478 0.941 10 0 FCAELP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000659506709 493202645 /nfs/dbraw/zinc/20/26/45/493202645.db2.gz AGINKDOCIWPYOH-IBGZPJMESA-N 2 2 374.533 0.007 10 0 FCAELP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000659506709 493202651 /nfs/dbraw/zinc/20/26/51/493202651.db2.gz AGINKDOCIWPYOH-IBGZPJMESA-N 2 2 374.533 0.007 10 0 FCAELP CC(C)[C@H]([NH3+])CCNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000659624995 493222060 /nfs/dbraw/zinc/22/20/60/493222060.db2.gz VLNBIDFSUAQRDP-CQSZACIVSA-N 2 2 360.466 0.568 10 0 FCAELP C[C@@H]1CC[C@H](C)N(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672639596 493222061 /nfs/dbraw/zinc/22/20/61/493222061.db2.gz MBOAICFPSNKZJI-OWCLPIDISA-N 2 2 350.507 0.918 10 0 FCAELP C[C@@H]1CC[C@H](C)N(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672639596 493222062 /nfs/dbraw/zinc/22/20/62/493222062.db2.gz MBOAICFPSNKZJI-OWCLPIDISA-N 2 2 350.507 0.918 10 0 FCAELP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659626888 493223063 /nfs/dbraw/zinc/22/30/63/493223063.db2.gz NDHACVWLUBPBBZ-KZNAEPCWSA-N 2 2 363.481 0.883 10 0 FCAELP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659626888 493223065 /nfs/dbraw/zinc/22/30/65/493223065.db2.gz NDHACVWLUBPBBZ-KZNAEPCWSA-N 2 2 363.481 0.883 10 0 FCAELP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000659693157 493256638 /nfs/dbraw/zinc/25/66/38/493256638.db2.gz XISHEIQLTUHFGN-UHFFFAOYSA-N 2 2 357.458 0.638 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cccc(O[C@H]2CC(=O)N2)c1 ZINC000667247210 493268459 /nfs/dbraw/zinc/26/84/59/493268459.db2.gz ADIHNWADJQIGPD-KRWDZBQOSA-N 2 2 363.462 0.916 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cccc(O[C@H]2CC(=O)N2)c1 ZINC000667247210 493268461 /nfs/dbraw/zinc/26/84/61/493268461.db2.gz ADIHNWADJQIGPD-KRWDZBQOSA-N 2 2 363.462 0.916 10 0 FCAELP CN(C(=O)C(=O)N[C@H]1C[NH+](C)Cc2ccccc21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000673280484 493310396 /nfs/dbraw/zinc/31/03/96/493310396.db2.gz CVLNRUSWQXUYQK-AEFFLSMTSA-N 2 2 356.470 0.984 10 0 FCAELP CN(C(=O)C(=O)N[C@H]1C[NH+](C)Cc2ccccc21)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000673280484 493310399 /nfs/dbraw/zinc/31/03/99/493310399.db2.gz CVLNRUSWQXUYQK-AEFFLSMTSA-N 2 2 356.470 0.984 10 0 FCAELP CN(C(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)[C@@H]1CC[NH+](C2CC2)C1 ZINC000673280484 493310402 /nfs/dbraw/zinc/31/04/02/493310402.db2.gz CVLNRUSWQXUYQK-AEFFLSMTSA-N 2 2 356.470 0.984 10 0 FCAELP CN(C(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)[C@@H]1CC[NH+](C2CC2)C1 ZINC000673280484 493310405 /nfs/dbraw/zinc/31/04/05/493310405.db2.gz CVLNRUSWQXUYQK-AEFFLSMTSA-N 2 2 356.470 0.984 10 0 FCAELP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000673299665 493314498 /nfs/dbraw/zinc/31/44/98/493314498.db2.gz GVMXZQWXWVRFKV-BRWVUGGUSA-N 2 2 371.485 0.862 10 0 FCAELP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000673299665 493314500 /nfs/dbraw/zinc/31/45/00/493314500.db2.gz GVMXZQWXWVRFKV-BRWVUGGUSA-N 2 2 371.485 0.862 10 0 FCAELP CN(C)S(=O)(=O)N1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000668180314 493323884 /nfs/dbraw/zinc/32/38/84/493323884.db2.gz QNVQDTUEFOBFSF-UHFFFAOYSA-N 2 2 364.475 0.581 10 0 FCAELP CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000668180314 493323887 /nfs/dbraw/zinc/32/38/87/493323887.db2.gz QNVQDTUEFOBFSF-UHFFFAOYSA-N 2 2 364.475 0.581 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673870986 493370241 /nfs/dbraw/zinc/37/02/41/493370241.db2.gz GJFDIJXJPNQXLV-UHFFFAOYSA-N 3 2 365.526 0.934 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673870986 493370243 /nfs/dbraw/zinc/37/02/43/493370243.db2.gz GJFDIJXJPNQXLV-UHFFFAOYSA-N 3 2 365.526 0.934 10 0 FCAELP CCN(C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@@H]1CC[N@H+](CC)C1 ZINC000668552017 493375857 /nfs/dbraw/zinc/37/58/57/493375857.db2.gz BURHOKCVGKFRRV-MRXNPFEDSA-N 2 2 361.490 0.821 10 0 FCAELP CCN(C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@@H]1CC[N@@H+](CC)C1 ZINC000668552017 493375859 /nfs/dbraw/zinc/37/58/59/493375859.db2.gz BURHOKCVGKFRRV-MRXNPFEDSA-N 2 2 361.490 0.821 10 0 FCAELP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)CN3CC[NH+](C)CC3)n2)c1C ZINC000684073005 493391865 /nfs/dbraw/zinc/39/18/65/493391865.db2.gz NYQYWOOLLAXYRM-UHFFFAOYSA-N 2 2 373.461 0.533 10 0 FCAELP O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000684181918 493399785 /nfs/dbraw/zinc/39/97/85/493399785.db2.gz HRFSQUJCXAJVDR-DLBZAZTESA-N 2 2 361.465 0.848 10 0 FCAELP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000661214798 493418997 /nfs/dbraw/zinc/41/89/97/493418997.db2.gz BFIHTCZAUXRJCC-BBWFWOEESA-N 2 2 371.522 0.369 10 0 FCAELP C[C@@H]1CCC[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)O1 ZINC000668910427 493435560 /nfs/dbraw/zinc/43/55/60/493435560.db2.gz HVVGSHKTAWULPH-VYDXJSESSA-N 2 2 366.506 0.345 10 0 FCAELP C[C@@H]1CCC[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)O1 ZINC000668910427 493435564 /nfs/dbraw/zinc/43/55/64/493435564.db2.gz HVVGSHKTAWULPH-VYDXJSESSA-N 2 2 366.506 0.345 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccn1 ZINC000668912876 493436580 /nfs/dbraw/zinc/43/65/80/493436580.db2.gz PCVJAAKDJCWKCP-CVEARBPZSA-N 2 2 373.501 0.586 10 0 FCAELP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccn1 ZINC000668912876 493436582 /nfs/dbraw/zinc/43/65/82/493436582.db2.gz PCVJAAKDJCWKCP-CVEARBPZSA-N 2 2 373.501 0.586 10 0 FCAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000674649982 493437229 /nfs/dbraw/zinc/43/72/29/493437229.db2.gz PJDDZZRNUZUWSQ-PXNSSMCTSA-N 2 2 374.485 0.789 10 0 FCAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000674649982 493437231 /nfs/dbraw/zinc/43/72/31/493437231.db2.gz PJDDZZRNUZUWSQ-PXNSSMCTSA-N 2 2 374.485 0.789 10 0 FCAELP CCN(C(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1)[C@H]1CC[N@H+](C)C1 ZINC000668959378 493444336 /nfs/dbraw/zinc/44/43/36/493444336.db2.gz KSBOUDGWKBOJIP-INIZCTEOSA-N 2 2 357.458 0.854 10 0 FCAELP CCN(C(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1)[C@H]1CC[N@@H+](C)C1 ZINC000668959378 493444340 /nfs/dbraw/zinc/44/43/40/493444340.db2.gz KSBOUDGWKBOJIP-INIZCTEOSA-N 2 2 357.458 0.854 10 0 FCAELP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000669198367 493475342 /nfs/dbraw/zinc/47/53/42/493475342.db2.gz OEIRMMMXFMSSAG-HUUCEWRRSA-N 2 2 359.474 0.766 10 0 FCAELP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000669198367 493475344 /nfs/dbraw/zinc/47/53/44/493475344.db2.gz OEIRMMMXFMSSAG-HUUCEWRRSA-N 2 2 359.474 0.766 10 0 FCAELP C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1[nH+]ccn1C ZINC000662099673 493488412 /nfs/dbraw/zinc/48/84/12/493488412.db2.gz VSBDAMOKQOYXKG-FFHGMXDLSA-N 2 2 362.478 0.864 10 0 FCAELP C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1[nH+]ccn1C ZINC000662099673 493488413 /nfs/dbraw/zinc/48/84/13/493488413.db2.gz VSBDAMOKQOYXKG-FFHGMXDLSA-N 2 2 362.478 0.864 10 0 FCAELP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N[C@H]1C[NH2+]CCC1(F)F ZINC000669405417 493502254 /nfs/dbraw/zinc/50/22/54/493502254.db2.gz CZHPXUQNYMHQOQ-JSGCOSHPSA-N 2 2 364.462 0.491 10 0 FCAELP C[NH+](C)CCC[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CCO1 ZINC000662322990 493506077 /nfs/dbraw/zinc/50/60/77/493506077.db2.gz OAWYEGVMDVBOAD-GOSISDBHSA-N 3 2 352.523 0.772 10 0 FCAELP C[NH+](C)CCC[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CCO1 ZINC000662322990 493506078 /nfs/dbraw/zinc/50/60/78/493506078.db2.gz OAWYEGVMDVBOAD-GOSISDBHSA-N 3 2 352.523 0.772 10 0 FCAELP [NH3+]C/C=C/CNC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000669479392 493506288 /nfs/dbraw/zinc/50/62/88/493506288.db2.gz PMRHSGDKZZGPPQ-SNAWJCMRSA-N 2 2 351.495 0.525 10 0 FCAELP O=C(C[N@@H+]1CCCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1)N1CCCC1 ZINC000662373768 493510675 /nfs/dbraw/zinc/51/06/75/493510675.db2.gz DGTJUPCOSAOYPE-HNNXBMFYSA-N 2 2 374.489 0.257 10 0 FCAELP O=C(C[N@H+]1CCCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1)N1CCCC1 ZINC000662373768 493510677 /nfs/dbraw/zinc/51/06/77/493510677.db2.gz DGTJUPCOSAOYPE-HNNXBMFYSA-N 2 2 374.489 0.257 10 0 FCAELP CC(C)OC[C@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000662384580 493511922 /nfs/dbraw/zinc/51/19/22/493511922.db2.gz ZQKDZVAAKPYEIZ-KRWDZBQOSA-N 2 2 352.454 0.816 10 0 FCAELP CC(C)OCC[NH+]1CCN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC000662487293 493520476 /nfs/dbraw/zinc/52/04/76/493520476.db2.gz QMNYBPIDNGHIQC-UHFFFAOYSA-N 2 2 350.467 0.385 10 0 FCAELP CC(C)OCC[NH+]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662744601 493536385 /nfs/dbraw/zinc/53/63/85/493536385.db2.gz RLSYJDDVVDCRSZ-MRXNPFEDSA-N 2 2 364.494 0.776 10 0 FCAELP CC(C)OCC[NH+]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662744598 493536431 /nfs/dbraw/zinc/53/64/31/493536431.db2.gz RLSYJDDVVDCRSZ-INIZCTEOSA-N 2 2 364.494 0.776 10 0 FCAELP CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2cc[nH+]cc2N(C)C)CC1 ZINC000670079783 493544229 /nfs/dbraw/zinc/54/42/29/493544229.db2.gz TWXPIJNPXSONLH-UHFFFAOYSA-N 2 2 362.478 0.587 10 0 FCAELP COCCOCC[NH+]1CCN(C(=O)c2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000662833533 493545453 /nfs/dbraw/zinc/54/54/53/493545453.db2.gz PBNCHFIJOBRBSA-UHFFFAOYSA-N 2 2 366.462 0.562 10 0 FCAELP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NC[C@H]1C[NH+]2CCN1CCC2 ZINC000670408966 493562118 /nfs/dbraw/zinc/56/21/18/493562118.db2.gz AXWSXGDMVWHPPY-PMACEKPBSA-N 2 2 372.513 0.784 10 0 FCAELP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NC[C@H]1C[NH+]2CCN1CCC2 ZINC000670408966 493562120 /nfs/dbraw/zinc/56/21/20/493562120.db2.gz AXWSXGDMVWHPPY-PMACEKPBSA-N 2 2 372.513 0.784 10 0 FCAELP O=C(C[C@H]1C[NH+](Cc2ccccc2)CCO1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000670408966 493562122 /nfs/dbraw/zinc/56/21/22/493562122.db2.gz AXWSXGDMVWHPPY-PMACEKPBSA-N 2 2 372.513 0.784 10 0 FCAELP O=C(C[C@H]1C[NH+](Cc2ccccc2)CCO1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000670408966 493562123 /nfs/dbraw/zinc/56/21/23/493562123.db2.gz AXWSXGDMVWHPPY-PMACEKPBSA-N 2 2 372.513 0.784 10 0 FCAELP Cc1cc(CN(C)C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000670435905 493566923 /nfs/dbraw/zinc/56/69/23/493566923.db2.gz IFKLKHLBZOIDIS-AWEZNQCLSA-N 2 2 363.462 0.226 10 0 FCAELP Cc1cc(CN(C)C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000670435905 493566925 /nfs/dbraw/zinc/56/69/25/493566925.db2.gz IFKLKHLBZOIDIS-AWEZNQCLSA-N 2 2 363.462 0.226 10 0 FCAELP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000676705824 493568014 /nfs/dbraw/zinc/56/80/14/493568014.db2.gz YHHMGSVUWPGHFO-IRXDYDNUSA-N 2 2 355.504 0.493 10 0 FCAELP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000676705824 493568016 /nfs/dbraw/zinc/56/80/16/493568016.db2.gz YHHMGSVUWPGHFO-IRXDYDNUSA-N 2 2 355.504 0.493 10 0 FCAELP CNS(=O)(=O)C[C@@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000676705824 493568017 /nfs/dbraw/zinc/56/80/17/493568017.db2.gz YHHMGSVUWPGHFO-IRXDYDNUSA-N 2 2 355.504 0.493 10 0 FCAELP CNS(=O)(=O)C[C@@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000676705824 493568019 /nfs/dbraw/zinc/56/80/19/493568019.db2.gz YHHMGSVUWPGHFO-IRXDYDNUSA-N 2 2 355.504 0.493 10 0 FCAELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]C[C@@H](O)CN2CCOCC2)C1 ZINC000663372249 493585733 /nfs/dbraw/zinc/58/57/33/493585733.db2.gz HSOXHIPKZNEMED-WOJBJXKFSA-N 2 2 362.518 0.085 10 0 FCAELP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]C[C@@H](O)CN2CCOCC2)C1 ZINC000663372249 493585737 /nfs/dbraw/zinc/58/57/37/493585737.db2.gz HSOXHIPKZNEMED-WOJBJXKFSA-N 2 2 362.518 0.085 10 0 FCAELP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1)c1cccc(F)c1 ZINC000670735945 493592882 /nfs/dbraw/zinc/59/28/82/493592882.db2.gz RDHANNSYALURSW-JKSUJKDBSA-N 2 2 373.432 0.975 10 0 FCAELP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1)c1cccc(F)c1 ZINC000670735945 493592884 /nfs/dbraw/zinc/59/28/84/493592884.db2.gz RDHANNSYALURSW-JKSUJKDBSA-N 2 2 373.432 0.975 10 0 FCAELP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000670894559 493609634 /nfs/dbraw/zinc/60/96/34/493609634.db2.gz CQEWQOXQYSSFPV-INIZCTEOSA-N 2 2 359.474 0.899 10 0 FCAELP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000670894559 493609637 /nfs/dbraw/zinc/60/96/37/493609637.db2.gz CQEWQOXQYSSFPV-INIZCTEOSA-N 2 2 359.474 0.899 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000663871768 493622320 /nfs/dbraw/zinc/62/23/20/493622320.db2.gz KSBLVNDKRPLWCR-ZDUSSCGKSA-N 2 2 353.433 0.806 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000663871768 493622321 /nfs/dbraw/zinc/62/23/21/493622321.db2.gz KSBLVNDKRPLWCR-ZDUSSCGKSA-N 2 2 353.433 0.806 10 0 FCAELP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCc2nnnn2-c2ccccc2)CC1 ZINC000678079779 493633153 /nfs/dbraw/zinc/63/31/53/493633153.db2.gz CPKATMQEYZQYLW-KRWDZBQOSA-N 2 2 369.473 0.619 10 0 FCAELP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCc2nnnn2-c2ccccc2)CC1 ZINC000678079779 493633155 /nfs/dbraw/zinc/63/31/55/493633155.db2.gz CPKATMQEYZQYLW-KRWDZBQOSA-N 2 2 369.473 0.619 10 0 FCAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000671117152 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CN(C(=O)N[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000842006132 670625072 /nfs/dbraw/zinc/62/50/72/670625072.db2.gz VNGWZFGHHGGIHD-LSDHHAIUSA-N 3 2 359.465 0.794 10 0 FCAELP CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000843363349 670806976 /nfs/dbraw/zinc/80/69/76/670806976.db2.gz YGAUNNAWAAFODP-CVEARBPZSA-N 2 2 352.479 0.751 10 0 FCAELP CCOC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000843363349 670806983 /nfs/dbraw/zinc/80/69/83/670806983.db2.gz YGAUNNAWAAFODP-CVEARBPZSA-N 2 2 352.479 0.751 10 0 FCAELP CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC000843363352 670807382 /nfs/dbraw/zinc/80/73/82/670807382.db2.gz YGAUNNAWAAFODP-JKSUJKDBSA-N 2 2 352.479 0.751 10 0 FCAELP CCOC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC000843363352 670807390 /nfs/dbraw/zinc/80/73/90/670807390.db2.gz YGAUNNAWAAFODP-JKSUJKDBSA-N 2 2 352.479 0.751 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000850596272 671388734 /nfs/dbraw/zinc/38/87/34/671388734.db2.gz NLMBRWFJOHWMOJ-UHFFFAOYSA-N 2 2 352.483 0.576 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000850596272 671388737 /nfs/dbraw/zinc/38/87/37/671388737.db2.gz NLMBRWFJOHWMOJ-UHFFFAOYSA-N 2 2 352.483 0.576 10 0 FCAELP CCN(C(=O)C(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000850685881 671401326 /nfs/dbraw/zinc/40/13/26/671401326.db2.gz JFDLAYKQKFDXSE-OWCLPIDISA-N 2 2 354.495 0.107 10 0 FCAELP CCN(C(=O)C(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000850685881 671401328 /nfs/dbraw/zinc/40/13/28/671401328.db2.gz JFDLAYKQKFDXSE-OWCLPIDISA-N 2 2 354.495 0.107 10 0 FCAELP CCN(C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000850685881 671401331 /nfs/dbraw/zinc/40/13/31/671401331.db2.gz JFDLAYKQKFDXSE-OWCLPIDISA-N 2 2 354.495 0.107 10 0 FCAELP CCN(C(=O)C(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000850685881 671401333 /nfs/dbraw/zinc/40/13/33/671401333.db2.gz JFDLAYKQKFDXSE-OWCLPIDISA-N 2 2 354.495 0.107 10 0 FCAELP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000852748342 671523093 /nfs/dbraw/zinc/52/30/93/671523093.db2.gz RVRULZLUACNNJU-CRAIPNDOSA-N 2 2 352.479 0.751 10 0 FCAELP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000852748342 671523094 /nfs/dbraw/zinc/52/30/94/671523094.db2.gz RVRULZLUACNNJU-CRAIPNDOSA-N 2 2 352.479 0.751 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(NS(C)(=O)=O)c1 ZINC000855416307 671641996 /nfs/dbraw/zinc/64/19/96/671641996.db2.gz KDLRKIBAOGMDED-UHFFFAOYSA-N 2 2 356.492 0.671 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(NS(C)(=O)=O)c1 ZINC000855416307 671641998 /nfs/dbraw/zinc/64/19/98/671641998.db2.gz KDLRKIBAOGMDED-UHFFFAOYSA-N 2 2 356.492 0.671 10 0 FCAELP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857885115 671745082 /nfs/dbraw/zinc/74/50/82/671745082.db2.gz OSWSOOAEABMNGY-TZMCWYRMSA-N 2 2 351.451 0.769 10 0 FCAELP Cc1c[nH+]cn1CC(=O)OCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000859951609 671857097 /nfs/dbraw/zinc/85/70/97/671857097.db2.gz PRNANZOTGFZVFZ-OAHLLOKOSA-N 2 2 352.435 0.208 10 0 FCAELP Cc1c[nH+]cn1CC(=O)OCC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000859951609 671857102 /nfs/dbraw/zinc/85/71/02/671857102.db2.gz PRNANZOTGFZVFZ-OAHLLOKOSA-N 2 2 352.435 0.208 10 0 FCAELP CC[C@@]1(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCNC1=O ZINC000866115387 672263691 /nfs/dbraw/zinc/26/36/91/672263691.db2.gz RAPYONSXTSQQLZ-LJQANCHMSA-N 2 2 350.507 0.969 10 0 FCAELP O=C(/C=C/C[NH+]1CCOCC1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000869227735 672426309 /nfs/dbraw/zinc/42/63/09/672426309.db2.gz RXQYATFOEWSXIM-OWOJBTEDSA-N 2 2 351.491 0.882 10 0 FCAELP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923618803 672485935 /nfs/dbraw/zinc/48/59/35/672485935.db2.gz PWRBLADXQJEKFV-SJLPKXTDSA-N 2 2 366.531 0.869 10 0 FCAELP CCS(=O)(=O)NCC[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C)c2)C1 ZINC000886096439 673557876 /nfs/dbraw/zinc/55/78/76/673557876.db2.gz HNBDPKKYWITLHK-MRXNPFEDSA-N 2 2 356.492 0.536 10 0 FCAELP CCS(=O)(=O)NCC[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C)c2)C1 ZINC000886096439 673557877 /nfs/dbraw/zinc/55/78/77/673557877.db2.gz HNBDPKKYWITLHK-MRXNPFEDSA-N 2 2 356.492 0.536 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000925150235 673777778 /nfs/dbraw/zinc/77/77/78/673777778.db2.gz WCHRRENFJYMUBL-HZPDHXFCSA-N 2 2 356.536 0.930 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000925150235 673777779 /nfs/dbraw/zinc/77/77/79/673777779.db2.gz WCHRRENFJYMUBL-HZPDHXFCSA-N 2 2 356.536 0.930 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000925179092 673782777 /nfs/dbraw/zinc/78/27/77/673782777.db2.gz RSPIGQNHPXVNCY-JKSUJKDBSA-N 3 2 357.568 0.749 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000925179092 673782780 /nfs/dbraw/zinc/78/27/80/673782780.db2.gz RSPIGQNHPXVNCY-JKSUJKDBSA-N 3 2 357.568 0.749 10 0 FCAELP C[NH+](C)CCC[NH+](C)CCNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925179092 673782782 /nfs/dbraw/zinc/78/27/82/673782782.db2.gz RSPIGQNHPXVNCY-JKSUJKDBSA-N 3 2 357.568 0.749 10 0 FCAELP C[NH+](C)CCC[NH+](C)CCNC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000925179092 673782785 /nfs/dbraw/zinc/78/27/85/673782785.db2.gz RSPIGQNHPXVNCY-JKSUJKDBSA-N 3 2 357.568 0.749 10 0 FCAELP CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000925811606 673805042 /nfs/dbraw/zinc/80/50/42/673805042.db2.gz IWQSMJQYXFQFFJ-HZSPNIEDSA-N 2 2 351.538 0.944 10 0 FCAELP C[C@H]1CN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC[C@H]1C[NH3+] ZINC000926050906 673809868 /nfs/dbraw/zinc/80/98/68/673809868.db2.gz PTFMASKJSRQHLL-GJZGRUSLSA-N 2 2 350.467 0.664 10 0 FCAELP C[C@@H]1CN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@H]1CC[NH3+] ZINC000926051225 673809887 /nfs/dbraw/zinc/80/98/87/673809887.db2.gz SPBOOZSQSFJYJA-HUUCEWRRSA-N 2 2 350.467 0.664 10 0 FCAELP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@@H]2CCC[NH+]3CCSC[C@H]23)C1 ZINC000928103136 673902132 /nfs/dbraw/zinc/90/21/32/673902132.db2.gz WJMBWSNHIDKXOY-BZUAXINKSA-N 2 2 369.531 0.958 10 0 FCAELP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@@H]2CCC[NH+]3CCSC[C@H]23)C1 ZINC000928103136 673902134 /nfs/dbraw/zinc/90/21/34/673902134.db2.gz WJMBWSNHIDKXOY-BZUAXINKSA-N 2 2 369.531 0.958 10 0 FCAELP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)C1 ZINC000928103136 673902137 /nfs/dbraw/zinc/90/21/37/673902137.db2.gz WJMBWSNHIDKXOY-BZUAXINKSA-N 2 2 369.531 0.958 10 0 FCAELP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)C1 ZINC000928103136 673902140 /nfs/dbraw/zinc/90/21/40/673902140.db2.gz WJMBWSNHIDKXOY-BZUAXINKSA-N 2 2 369.531 0.958 10 0 FCAELP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000929953877 673987453 /nfs/dbraw/zinc/98/74/53/673987453.db2.gz FCIYEEXDTRYFJP-CQSZACIVSA-N 2 2 367.519 0.812 10 0 FCAELP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000929953877 673987454 /nfs/dbraw/zinc/98/74/54/673987454.db2.gz FCIYEEXDTRYFJP-CQSZACIVSA-N 2 2 367.519 0.812 10 0 FCAELP C/C(=C/C(=O)N1CCN(CC[NH+]2CCCC2)CC1)C[NH+]1CCOCC1 ZINC000900023623 675659741 /nfs/dbraw/zinc/65/97/41/675659741.db2.gz QJPQVWHUIZJONE-VLGSPTGOSA-N 2 2 350.507 0.505 10 0 FCAELP C[N@@H+]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000901003985 675739759 /nfs/dbraw/zinc/73/97/59/675739759.db2.gz JATRUQQMGNGPIJ-AWEZNQCLSA-N 2 2 352.479 0.750 10 0 FCAELP C[N@H+]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000901003985 675739762 /nfs/dbraw/zinc/73/97/62/675739762.db2.gz JATRUQQMGNGPIJ-AWEZNQCLSA-N 2 2 352.479 0.750 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CC(=O)NC[C@H]2CCCO2)CC[N@@H+]1C ZINC001480865594 1167937189 /nfs/dbraw/zinc/93/71/89/1167937189.db2.gz KBJAUJFDMGAJMG-OWCLPIDISA-N 2 2 354.495 0.060 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CC(=O)NC[C@H]2CCCO2)CC[N@H+]1C ZINC001480865594 1167937194 /nfs/dbraw/zinc/93/71/94/1167937194.db2.gz KBJAUJFDMGAJMG-OWCLPIDISA-N 2 2 354.495 0.060 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](C)CC(=O)NC[C@H]2CCCO2)CC[NH+]1C ZINC001480865594 1167937200 /nfs/dbraw/zinc/93/72/00/1167937200.db2.gz KBJAUJFDMGAJMG-OWCLPIDISA-N 2 2 354.495 0.060 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](C)CC(=O)NC[C@H]2CCCO2)CC[NH+]1C ZINC001480865594 1167937208 /nfs/dbraw/zinc/93/72/08/1167937208.db2.gz KBJAUJFDMGAJMG-OWCLPIDISA-N 2 2 354.495 0.060 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656039815 1169357586 /nfs/dbraw/zinc/35/75/86/1169357586.db2.gz HOCPAGZRAXHAHA-USCDRTNBSA-N 2 2 366.506 0.342 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656039815 1169357594 /nfs/dbraw/zinc/35/75/94/1169357594.db2.gz HOCPAGZRAXHAHA-USCDRTNBSA-N 2 2 366.506 0.342 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001744832104 1170004799 /nfs/dbraw/zinc/00/47/99/1170004799.db2.gz PWMXISKDGLTMJA-BZUAXINKSA-N 2 2 359.474 0.584 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001719620603 1170687498 /nfs/dbraw/zinc/68/74/98/1170687498.db2.gz CGYCOBTZSHZQGZ-WBVHZDCISA-N 2 2 361.490 0.944 10 0 FCAELP Cc1nocc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001266957301 1171081458 /nfs/dbraw/zinc/08/14/58/1171081458.db2.gz YQMHRQIGBHFHDS-XKQJLSEDSA-N 2 2 366.462 0.457 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001719639560 1171259654 /nfs/dbraw/zinc/25/96/54/1171259654.db2.gz GDZJNNHGKUXCQW-FPCVCCKLSA-N 2 2 361.490 0.971 10 0 FCAELP CCN(CC)C(=O)C[NH+]1CCC(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000897744699 1192845734 /nfs/dbraw/zinc/84/57/34/1192845734.db2.gz RTUCEGVQUNGAPJ-QGZVFWFLSA-N 2 2 366.506 0.156 10 0 FCAELP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000898017368 1192855030 /nfs/dbraw/zinc/85/50/30/1192855030.db2.gz LRDQAUAMJIYSCG-OAHLLOKOSA-N 2 2 359.474 0.791 10 0 FCAELP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[NH+](C2CC2)CC1 ZINC000329374186 1179311799 /nfs/dbraw/zinc/31/17/99/1179311799.db2.gz NIEHPKFZVJABRW-QGZVFWFLSA-N 2 2 364.490 0.006 10 0 FCAELP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001719712784 1179684069 /nfs/dbraw/zinc/68/40/69/1179684069.db2.gz NSYACHTYUBHEKE-BRWVUGGUSA-N 2 2 361.490 0.826 10 0 FCAELP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001719712784 1179684080 /nfs/dbraw/zinc/68/40/80/1179684080.db2.gz NSYACHTYUBHEKE-BRWVUGGUSA-N 2 2 361.490 0.826 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CN(C)C(=O)Cc3c[nH+]c[nH]3)C2)CC[N@@H+]1C ZINC001745724229 1187489530 /nfs/dbraw/zinc/48/95/30/1187489530.db2.gz DVJWNFWXSCDYLW-HYVNUMGLSA-N 2 2 361.490 0.989 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CN(C)C(=O)Cc3c[nH+]c[nH]3)C2)CC[N@H+]1C ZINC001745724229 1187489532 /nfs/dbraw/zinc/48/95/32/1187489532.db2.gz DVJWNFWXSCDYLW-HYVNUMGLSA-N 2 2 361.490 0.989 10 0 FCAELP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001719861382 1187862306 /nfs/dbraw/zinc/86/23/06/1187862306.db2.gz ATKYNDYLHFCCDC-VUHPKUFZSA-N 2 2 373.501 0.884 10 0 FCAELP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001719861527 1187924296 /nfs/dbraw/zinc/92/42/96/1187924296.db2.gz GNZOJEPTCJLVPH-WCVJEAGWSA-N 2 2 359.474 0.645 10 0 FCAELP O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000895482876 1189861518 /nfs/dbraw/zinc/86/15/18/1189861518.db2.gz KTFKRRDBDXKZOW-SFHVURJKSA-N 2 2 359.470 0.930 10 0 FCAELP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000897340074 1190709370 /nfs/dbraw/zinc/70/93/70/1190709370.db2.gz KYDMMQZESRTTHF-ROUUACIJSA-N 2 2 374.485 0.214 10 0 FCAELP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000897340074 1190709376 /nfs/dbraw/zinc/70/93/76/1190709376.db2.gz KYDMMQZESRTTHF-ROUUACIJSA-N 2 2 374.485 0.214 10 0 FCAELP CC[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000897340074 1190709380 /nfs/dbraw/zinc/70/93/80/1190709380.db2.gz KYDMMQZESRTTHF-ROUUACIJSA-N 2 2 374.485 0.214 10 0 FCAELP CC[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000897340074 1190709385 /nfs/dbraw/zinc/70/93/85/1190709385.db2.gz KYDMMQZESRTTHF-ROUUACIJSA-N 2 2 374.485 0.214 10 0 FCAELP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000550898653 1193818935 /nfs/dbraw/zinc/81/89/35/1193818935.db2.gz HDGDPEXOYCHSOA-YOEHRIQHSA-N 2 2 371.485 0.766 10 0 FCAELP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000550898653 1193818939 /nfs/dbraw/zinc/81/89/39/1193818939.db2.gz HDGDPEXOYCHSOA-YOEHRIQHSA-N 2 2 371.485 0.766 10 0 FCAELP Cn1ncnc1C[NH2+]C/C=C/CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001483060743 1193851828 /nfs/dbraw/zinc/85/18/28/1193851828.db2.gz AGKPIFGOZAESIV-IBQUMJASSA-N 2 2 368.485 0.923 10 0 FCAELP Cn1ncnc1C[NH2+]C/C=C/CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001483060743 1193851832 /nfs/dbraw/zinc/85/18/32/1193851832.db2.gz AGKPIFGOZAESIV-IBQUMJASSA-N 2 2 368.485 0.923 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NC1CCCC1 ZINC001483061978 1193856590 /nfs/dbraw/zinc/85/65/90/1193856590.db2.gz YGKBCBPAGYMFIB-FZZYSBJUSA-N 2 2 359.474 0.844 10 0 FCAELP CCNC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000551722953 1193868567 /nfs/dbraw/zinc/86/85/67/1193868567.db2.gz SZNLSCCCQZQOSA-MRXNPFEDSA-N 2 2 368.522 0.594 10 0 FCAELP CCNC(=O)C[C@H]1CCCC[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000551722953 1193868568 /nfs/dbraw/zinc/86/85/68/1193868568.db2.gz SZNLSCCCQZQOSA-MRXNPFEDSA-N 2 2 368.522 0.594 10 0 FCAELP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000553275619 1193983474 /nfs/dbraw/zinc/98/34/74/1193983474.db2.gz MCRMTPWVSYSXDV-HNNXBMFYSA-N 2 2 359.430 0.178 10 0 FCAELP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000553275619 1193983475 /nfs/dbraw/zinc/98/34/75/1193983475.db2.gz MCRMTPWVSYSXDV-HNNXBMFYSA-N 2 2 359.430 0.178 10 0 FCAELP C[N@@H+]1CCC[C@H](NC(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000898548929 1194043161 /nfs/dbraw/zinc/04/31/61/1194043161.db2.gz UBLNNBRCWNVWJR-IRXDYDNUSA-N 2 2 355.442 0.951 10 0 FCAELP C[N@H+]1CCC[C@H](NC(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000898548929 1194043166 /nfs/dbraw/zinc/04/31/66/1194043166.db2.gz UBLNNBRCWNVWJR-IRXDYDNUSA-N 2 2 355.442 0.951 10 0 FCAELP CN(C(=O)CCNC(=O)CO)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000907124778 1195679722 /nfs/dbraw/zinc/67/97/22/1195679722.db2.gz SIASFONQIDSTBI-IAGOWNOFSA-N 2 2 368.522 0.281 10 0 FCAELP CN(C(=O)CCNC(=O)CO)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000907124778 1195679725 /nfs/dbraw/zinc/67/97/25/1195679725.db2.gz SIASFONQIDSTBI-IAGOWNOFSA-N 2 2 368.522 0.281 10 0 FCAELP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](CCCCCO)CC2)C1 ZINC000913688826 1197112133 /nfs/dbraw/zinc/11/21/33/1197112133.db2.gz NHYMEQQPXOHPHD-KRWDZBQOSA-N 2 2 369.506 0.568 10 0 FCAELP Cn1cc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)nn1 ZINC001272573230 1197504254 /nfs/dbraw/zinc/50/42/54/1197504254.db2.gz APYXSHHCNAKYSE-FVQBIDKESA-N 2 2 357.462 0.681 10 0 FCAELP O=C(C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000817955163 1203128296 /nfs/dbraw/zinc/12/82/96/1203128296.db2.gz RNUDRVCQOAEKFE-APWZRJJASA-N 2 2 364.490 0.054 10 0 FCAELP C[NH+](C)CCN1CC[N@H+](CCCON2C(=O)c3ccccc3C2=O)CC1=O ZINC000844381454 1204402724 /nfs/dbraw/zinc/40/27/24/1204402724.db2.gz LYZTYEKCTDJRNC-UHFFFAOYSA-N 2 2 374.441 0.310 10 0 FCAELP C[NH+](C)Cc1ccc(C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)o1 ZINC001144359626 1204475373 /nfs/dbraw/zinc/47/53/73/1204475373.db2.gz UTMHPFJIDLMXTH-UHFFFAOYSA-N 2 2 363.462 0.466 10 0 FCAELP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCN(c4cccc[nH+]4)CC3)CC[C@H]21 ZINC000867281423 1208268344 /nfs/dbraw/zinc/26/83/44/1208268344.db2.gz BUNXASCCDNQRHC-HZPDHXFCSA-N 2 2 357.458 0.283 10 0 FCAELP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCN(c4cccc[nH+]4)CC3)CC[C@H]21 ZINC000867281423 1208268347 /nfs/dbraw/zinc/26/83/47/1208268347.db2.gz BUNXASCCDNQRHC-HZPDHXFCSA-N 2 2 357.458 0.283 10 0 FCAELP Cn1cc[nH+]c1CCC(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001488938294 1208577606 /nfs/dbraw/zinc/57/76/06/1208577606.db2.gz HQCQHNQUQRCBIY-BFHYXJOUSA-N 2 2 361.446 0.032 10 0 FCAELP COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1c1cnn(C)c1 ZINC001488981673 1208597240 /nfs/dbraw/zinc/59/72/40/1208597240.db2.gz OVRAFSPLKGGPJY-PNBKFKSVSA-N 2 2 358.446 0.477 10 0 FCAELP COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1c1cnn(C)c1 ZINC001488981673 1208597246 /nfs/dbraw/zinc/59/72/46/1208597246.db2.gz OVRAFSPLKGGPJY-PNBKFKSVSA-N 2 2 358.446 0.477 10 0 FCAELP Cc1nn(C)cc1C[N@H+]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001489309997 1208745802 /nfs/dbraw/zinc/74/58/02/1208745802.db2.gz WXHRATDSNZESCA-KYJSFNMBSA-N 2 2 363.506 0.776 10 0 FCAELP Cc1nn(C)cc1C[N@@H+]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001489309997 1208745810 /nfs/dbraw/zinc/74/58/10/1208745810.db2.gz WXHRATDSNZESCA-KYJSFNMBSA-N 2 2 363.506 0.776 10 0 FCAELP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001489471668 1208852994 /nfs/dbraw/zinc/85/29/94/1208852994.db2.gz NOLXIOOYENOVFT-GDBMZVCRSA-N 2 2 358.446 0.832 10 0 FCAELP CO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001489546313 1208908768 /nfs/dbraw/zinc/90/87/68/1208908768.db2.gz HOYJDRVFWKJMNV-HUUCEWRRSA-N 2 2 365.478 0.203 10 0 FCAELP CO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001489546313 1208908779 /nfs/dbraw/zinc/90/87/79/1208908779.db2.gz HOYJDRVFWKJMNV-HUUCEWRRSA-N 2 2 365.478 0.203 10 0 FCAELP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001490344063 1209307865 /nfs/dbraw/zinc/30/78/65/1209307865.db2.gz AKCHNQGFEYUXNQ-BZUAXINKSA-N 2 2 361.490 0.658 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC4=C(CCC(=O)N4)C3)C2)CC1 ZINC000852127683 1209533398 /nfs/dbraw/zinc/53/33/98/1209533398.db2.gz AVIBHXDREMXRHL-HNNXBMFYSA-N 2 2 361.490 0.734 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC4=C(CCC(=O)N4)C3)C2)CC1 ZINC000852127683 1209533403 /nfs/dbraw/zinc/53/34/03/1209533403.db2.gz AVIBHXDREMXRHL-HNNXBMFYSA-N 2 2 361.490 0.734 10 0 FCAELP C[C@@H](c1nc(-c2ccc(N3CC[NH+](C)CC3)nc2)no1)N1CC[NH2+]CC1=O ZINC000863666837 1209947694 /nfs/dbraw/zinc/94/76/94/1209947694.db2.gz AFJBHZPUOJTXGH-ZDUSSCGKSA-N 2 2 371.445 0.376 10 0 FCAELP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000865152963 1209972165 /nfs/dbraw/zinc/97/21/65/1209972165.db2.gz WCPBCMNDEYRGOJ-AWEZNQCLSA-N 2 2 372.510 0.668 10 0 FCAELP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000865152963 1209972166 /nfs/dbraw/zinc/97/21/66/1209972166.db2.gz WCPBCMNDEYRGOJ-AWEZNQCLSA-N 2 2 372.510 0.668 10 0 FCAELP COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866706851 1210002055 /nfs/dbraw/zinc/00/20/55/1210002055.db2.gz FMBWSPYZCWAELH-BMFZPTHFSA-N 2 2 360.414 0.501 10 0 FCAELP COc1ccc(NC(=O)C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866706851 1210002057 /nfs/dbraw/zinc/00/20/57/1210002057.db2.gz FMBWSPYZCWAELH-BMFZPTHFSA-N 2 2 360.414 0.501 10 0 FCAELP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866709829 1210003002 /nfs/dbraw/zinc/00/30/02/1210003002.db2.gz UTTKSUSCHSHVBL-JFOHDYCDSA-N 2 2 374.441 0.889 10 0 FCAELP COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866709829 1210003003 /nfs/dbraw/zinc/00/30/03/1210003003.db2.gz UTTKSUSCHSHVBL-JFOHDYCDSA-N 2 2 374.441 0.889 10 0 FCAELP O=C(C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)NCc1ccc(F)cc1 ZINC000866710544 1210004177 /nfs/dbraw/zinc/00/41/77/1210004177.db2.gz YTYCHYVRPJIDGS-XHSDSOJGSA-N 2 2 362.405 0.309 10 0 FCAELP O=C(C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)NCc1ccc(F)cc1 ZINC000866710544 1210004181 /nfs/dbraw/zinc/00/41/81/1210004181.db2.gz YTYCHYVRPJIDGS-XHSDSOJGSA-N 2 2 362.405 0.309 10 0 FCAELP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC[NH+](C)C(C)(C)CC2)C[C@H](C)O1 ZINC000867742563 1210028083 /nfs/dbraw/zinc/02/80/83/1210028083.db2.gz PTVFSQFNFDCKTK-IYBDPMFKSA-N 2 2 368.522 0.497 10 0 FCAELP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC[NH+](C)C(C)(C)CC2)C[C@H](C)O1 ZINC000867742563 1210028086 /nfs/dbraw/zinc/02/80/86/1210028086.db2.gz PTVFSQFNFDCKTK-IYBDPMFKSA-N 2 2 368.522 0.497 10 0 FCAELP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CC[N@H+](C)C(C)(C)CC2)C[C@H](C)O1 ZINC000867742563 1210028092 /nfs/dbraw/zinc/02/80/92/1210028092.db2.gz PTVFSQFNFDCKTK-IYBDPMFKSA-N 2 2 368.522 0.497 10 0 FCAELP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)CC2)C[C@H](C)O1 ZINC000867742563 1210028095 /nfs/dbraw/zinc/02/80/95/1210028095.db2.gz PTVFSQFNFDCKTK-IYBDPMFKSA-N 2 2 368.522 0.497 10 0 FCAELP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000868228112 1210045239 /nfs/dbraw/zinc/04/52/39/1210045239.db2.gz CCXYVLAZHRVNGM-FGTMMUONSA-N 2 2 372.469 0.763 10 0 FCAELP O=C([C@H](O)c1c[nH+]c[nH]1)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000868276311 1210049176 /nfs/dbraw/zinc/04/91/76/1210049176.db2.gz PPJXHSRMLGCOMC-IEBWSBKVSA-N 2 2 369.469 0.862 10 0 FCAELP O=C([C@H](O)c1c[nH+]c[nH]1)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000868276311 1210049182 /nfs/dbraw/zinc/04/91/82/1210049182.db2.gz PPJXHSRMLGCOMC-IEBWSBKVSA-N 2 2 369.469 0.862 10 0 FCAELP [NH3+][C@H](C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1c(F)cccc1F ZINC000870997252 1210125023 /nfs/dbraw/zinc/12/50/23/1210125023.db2.gz LPOVRRIMPCKXAN-JWFUOXDNSA-N 2 2 366.368 0.358 10 0 FCAELP COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000876139026 1210403999 /nfs/dbraw/zinc/40/39/99/1210403999.db2.gz ALLUQFKVJIGSCZ-GDBMZVCRSA-N 2 2 370.494 0.232 10 0 FCAELP COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000876139026 1210404001 /nfs/dbraw/zinc/40/40/01/1210404001.db2.gz ALLUQFKVJIGSCZ-GDBMZVCRSA-N 2 2 370.494 0.232 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC[N@@H+]1C ZINC000925319543 1211496053 /nfs/dbraw/zinc/49/60/53/1211496053.db2.gz JUTWHAAHQUIYTF-OCCSQVGLSA-N 2 2 358.450 0.288 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC[N@H+]1C ZINC000925319543 1211496054 /nfs/dbraw/zinc/49/60/54/1211496054.db2.gz JUTWHAAHQUIYTF-OCCSQVGLSA-N 2 2 358.450 0.288 10 0 FCAELP CN(C)C(=O)COc1ccc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000925931703 1211510726 /nfs/dbraw/zinc/51/07/26/1211510726.db2.gz YCBSNGSIFVGTKY-UHFFFAOYSA-N 2 2 363.462 0.698 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC[N@@H+]1Cc1ccccc1 ZINC000926377742 1211542075 /nfs/dbraw/zinc/54/20/75/1211542075.db2.gz LAOOBMSJFDMICS-JXFKEZNVSA-N 2 2 374.485 0.032 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC[N@H+]1Cc1ccccc1 ZINC000926377742 1211542078 /nfs/dbraw/zinc/54/20/78/1211542078.db2.gz LAOOBMSJFDMICS-JXFKEZNVSA-N 2 2 374.485 0.032 10 0 FCAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCC[C@@H]3CNC(=O)C3)CC2)CC1 ZINC000926986188 1211562790 /nfs/dbraw/zinc/56/27/90/1211562790.db2.gz HIXVIQQSFCKMQY-INIZCTEOSA-N 2 2 365.522 0.714 10 0 FCAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCC[C@@H]3CNC(=O)C3)CC2)CC1 ZINC000926986188 1211562794 /nfs/dbraw/zinc/56/27/94/1211562794.db2.gz HIXVIQQSFCKMQY-INIZCTEOSA-N 2 2 365.522 0.714 10 0 FCAELP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000929673360 1211654303 /nfs/dbraw/zinc/65/43/03/1211654303.db2.gz UCTKYLUIQWFVQO-UHFFFAOYSA-N 2 2 373.461 0.123 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@]3(C)CCCCO3)C2)CC1 ZINC000930173695 1211693898 /nfs/dbraw/zinc/69/38/98/1211693898.db2.gz LDYJKTSXQJSRMI-HNAYVOBHSA-N 2 2 366.506 0.347 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@]3(C)CCCCO3)C2)CC1 ZINC000930173695 1211693901 /nfs/dbraw/zinc/69/39/01/1211693901.db2.gz LDYJKTSXQJSRMI-HNAYVOBHSA-N 2 2 366.506 0.347 10 0 FCAELP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000931149925 1211743167 /nfs/dbraw/zinc/74/31/67/1211743167.db2.gz OUPIFWXIOILZGJ-SYNHAJSKSA-N 2 2 356.470 0.699 10 0 FCAELP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000931149925 1211743170 /nfs/dbraw/zinc/74/31/70/1211743170.db2.gz OUPIFWXIOILZGJ-SYNHAJSKSA-N 2 2 356.470 0.699 10 0 FCAELP C[NH+]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3c4ccccc4C[N@H+]3C)C[C@]2(C)C1 ZINC000931149925 1211743172 /nfs/dbraw/zinc/74/31/72/1211743172.db2.gz OUPIFWXIOILZGJ-SYNHAJSKSA-N 2 2 356.470 0.699 10 0 FCAELP C[NH+]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3c4ccccc4C[N@@H+]3C)C[C@]2(C)C1 ZINC000931149925 1211743174 /nfs/dbraw/zinc/74/31/74/1211743174.db2.gz OUPIFWXIOILZGJ-SYNHAJSKSA-N 2 2 356.470 0.699 10 0 FCAELP C[NH+]1C[C@@]2(C)C[NH+](C[C@@H](O)CN3C(=O)c4ccccc4C3=O)C[C@]2(C)C1 ZINC000931314894 1211750727 /nfs/dbraw/zinc/75/07/27/1211750727.db2.gz ROLRHPGSRHUNME-UAOJZALGSA-N 2 2 357.454 0.917 10 0 FCAELP C/C(=C\C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)C[NH+]1CCOCC1 ZINC000900066596 1217959194 /nfs/dbraw/zinc/95/91/94/1217959194.db2.gz VCQKPMWIBNPNCA-GHRIWEEISA-N 2 2 373.501 0.728 10 0 FCAELP C/C(=C/C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)C[NH+]1CCOCC1 ZINC000900229763 1217973260 /nfs/dbraw/zinc/97/32/60/1217973260.db2.gz SEOOZELJXVHSKR-LGMDPLHJSA-N 2 2 373.501 0.728 10 0 FCAELP C[C@H](NC(=O)c1cccc(N2CC[NH+](C)CC2)n1)[C@H]1C[N@H+](C)CCN1C ZINC000900812062 1218040658 /nfs/dbraw/zinc/04/06/58/1218040658.db2.gz RAESWJAATAOGBF-DOTOQJQBSA-N 2 2 360.506 0.198 10 0 FCAELP C[C@H](NC(=O)c1cccc(N2CC[NH+](C)CC2)n1)[C@H]1C[N@@H+](C)CCN1C ZINC000900812062 1218040659 /nfs/dbraw/zinc/04/06/59/1218040659.db2.gz RAESWJAATAOGBF-DOTOQJQBSA-N 2 2 360.506 0.198 10 0 FCAELP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)CC[C@@H]1C(F)(F)F ZINC000903732640 1218510112 /nfs/dbraw/zinc/51/01/12/1218510112.db2.gz UHRQJTDAXADDSX-QWHCGFSZSA-N 2 2 373.379 0.785 10 0 FCAELP CCN(CC)C(=O)C[NH+]1CCN(C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903879114 1218559204 /nfs/dbraw/zinc/55/92/04/1218559204.db2.gz SPLDCIKJRJNNBN-QGZVFWFLSA-N 2 2 364.538 0.332 10 0 FCAELP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000804050772 1219102084 /nfs/dbraw/zinc/10/20/84/1219102084.db2.gz KZIXPZUWQPVJGG-GJZGRUSLSA-N 2 2 361.446 0.095 10 0 FCAELP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000804050772 1219102090 /nfs/dbraw/zinc/10/20/90/1219102090.db2.gz KZIXPZUWQPVJGG-GJZGRUSLSA-N 2 2 361.446 0.095 10 0 FCAELP Cc1cc(N2CCN(C(=O)C[N@@H+]3C[C@@H]4C[C@]4(CO)C3)CC2)nc(C(C)C)[nH+]1 ZINC000782624452 1221177713 /nfs/dbraw/zinc/17/77/13/1221177713.db2.gz XOOKGBIIYGNWFG-OXJNMPFZSA-N 2 2 373.501 0.871 10 0 FCAELP Cc1cc(N2CCN(C(=O)C[N@H+]3C[C@@H]4C[C@]4(CO)C3)CC2)nc(C(C)C)[nH+]1 ZINC000782624452 1221177715 /nfs/dbraw/zinc/17/77/15/1221177715.db2.gz XOOKGBIIYGNWFG-OXJNMPFZSA-N 2 2 373.501 0.871 10 0 FCAELP CN(CCC[NH+](C)C)C(=O)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC001117728851 1221616814 /nfs/dbraw/zinc/61/68/14/1221616814.db2.gz DFJNSUAIQWRUJI-UHFFFAOYSA-N 2 2 357.458 0.958 10 0 FCAELP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC(c3nnc4n3CC[NH2+]C4)CC2)C1 ZINC001118390816 1221772955 /nfs/dbraw/zinc/77/29/55/1221772955.db2.gz YFCKXTGNDDYKBY-OTVXOJSOSA-N 2 2 361.494 0.611 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC[C@@H]1C[NH3+] ZINC001119703251 1221952934 /nfs/dbraw/zinc/95/29/34/1221952934.db2.gz MXMVVQJIWNFEDK-OWCLPIDISA-N 2 2 361.490 0.645 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CC[C@H]1C[NH3+] ZINC001119703250 1221953046 /nfs/dbraw/zinc/95/30/46/1221953046.db2.gz MXMVVQJIWNFEDK-OAGGEKHMSA-N 2 2 361.490 0.645 10 0 FCAELP CNc1cc(CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc[nH+]1 ZINC001123748535 1222354720 /nfs/dbraw/zinc/35/47/20/1222354720.db2.gz HQAZQNLROJSPSK-HNNXBMFYSA-N 2 2 362.478 0.865 10 0 FCAELP CNc1cc(CNC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc[nH+]1 ZINC001123748535 1222354724 /nfs/dbraw/zinc/35/47/24/1222354724.db2.gz HQAZQNLROJSPSK-HNNXBMFYSA-N 2 2 362.478 0.865 10 0 FCAELP C[C@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001123793989 1222358202 /nfs/dbraw/zinc/35/82/02/1222358202.db2.gz HGXVLGMJKSSZHG-MLHJIOFPSA-N 3 2 368.570 0.002 10 0 FCAELP C[C@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@@H]1CN(C)CC[N@H+]1C ZINC001123793989 1222358210 /nfs/dbraw/zinc/35/82/10/1222358210.db2.gz HGXVLGMJKSSZHG-MLHJIOFPSA-N 3 2 368.570 0.002 10 0 FCAELP C[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)CC2)C1 ZINC001123934999 1222368088 /nfs/dbraw/zinc/36/80/88/1222368088.db2.gz LKQHFJUISAEBPN-LJQANCHMSA-N 2 2 358.486 0.346 10 0 FCAELP C[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)CC2)C1 ZINC001123934999 1222368096 /nfs/dbraw/zinc/36/80/96/1222368096.db2.gz LKQHFJUISAEBPN-LJQANCHMSA-N 2 2 358.486 0.346 10 0 FCAELP Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c(N(C)C)[nH+]1 ZINC000835489208 1222603871 /nfs/dbraw/zinc/60/38/71/1222603871.db2.gz WKAWXRRLOYUETR-AWEZNQCLSA-N 2 2 363.462 0.358 10 0 FCAELP Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2CCO)c(N(C)C)[nH+]1 ZINC000835489208 1222603875 /nfs/dbraw/zinc/60/38/75/1222603875.db2.gz WKAWXRRLOYUETR-AWEZNQCLSA-N 2 2 363.462 0.358 10 0 FCAELP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000837804183 1222658363 /nfs/dbraw/zinc/65/83/63/1222658363.db2.gz GOGKKNHPQQTGBY-CQSZACIVSA-N 2 2 358.446 0.784 10 0 FCAELP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000837804183 1222658368 /nfs/dbraw/zinc/65/83/68/1222658368.db2.gz GOGKKNHPQQTGBY-CQSZACIVSA-N 2 2 358.446 0.784 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cn(C(F)(F)CO)nn3)CC2)CC1 ZINC001142767393 1222849530 /nfs/dbraw/zinc/84/95/30/1222849530.db2.gz FKVHHSMDCAPQKF-UHFFFAOYSA-N 2 2 372.420 0.108 10 0 FCAELP C[C@@H]1[C@H](C(=O)N(C)C2C[NH+](CCCNC(=O)C(F)(F)F)C2)CC[N@H+]1C ZINC001671133390 1223003823 /nfs/dbraw/zinc/00/38/23/1223003823.db2.gz QHTCYXPRTVKBLR-DGCLKSJQSA-N 2 2 364.412 0.538 10 0 FCAELP C[C@H](CNC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848931736 1245386199 /nfs/dbraw/zinc/38/61/99/1245386199.db2.gz GXVGHTXUPCINRM-VVLHAWIVSA-N 2 2 368.522 0.591 10 0 FCAELP CC(C)[N@@H+]1CC[C@H](C(=O)N2CC[NH+](CCO)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849493956 1245396609 /nfs/dbraw/zinc/39/66/09/1245396609.db2.gz NPDUTNQQZMKLPJ-ZWKOTPCHSA-N 2 2 363.506 0.371 10 0 FCAELP CC(C)[N@H+]1CC[C@H](C(=O)N2CC[NH+](CCO)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849493956 1245396612 /nfs/dbraw/zinc/39/66/12/1245396612.db2.gz NPDUTNQQZMKLPJ-ZWKOTPCHSA-N 2 2 363.506 0.371 10 0 FCAELP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000897235380 1245467825 /nfs/dbraw/zinc/46/78/25/1245467825.db2.gz RDQQJCHEXBYBOA-IPMKNSEASA-N 2 2 361.486 0.831 10 0 FCAELP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000897235380 1245467831 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C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](CC(=O)NCc2ccco2)C1 ZINC001570842100 1269918377 /nfs/dbraw/zinc/91/83/77/1269918377.db2.gz ZBLHEQKLLRJXBA-CKEIUWERSA-N 2 2 362.474 0.673 10 0 FCAELP O=C(N[C@H]1C[C@H](C[NH2+]C[C@@H](O)Cn2cccn2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001571126376 1269926193 /nfs/dbraw/zinc/92/61/93/1269926193.db2.gz WDOPCGAMYJVLKF-OXGONZEZSA-N 2 2 358.446 0.255 10 0 FCAELP O=C(N[C@H]1C[C@H](C[NH2+]C[C@@H](O)Cn2cccn2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001571126376 1269926201 /nfs/dbraw/zinc/92/62/01/1269926201.db2.gz WDOPCGAMYJVLKF-OXGONZEZSA-N 2 2 358.446 0.255 10 0 FCAELP CCc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)o1 ZINC001571580214 1269938109 /nfs/dbraw/zinc/93/81/09/1269938109.db2.gz LLHJOTPIVMKGTC-HZSPNIEDSA-N 2 2 353.467 0.271 10 0 FCAELP CCc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)o1 ZINC001571580214 1269938115 /nfs/dbraw/zinc/93/81/15/1269938115.db2.gz LLHJOTPIVMKGTC-HZSPNIEDSA-N 2 2 353.467 0.271 10 0 FCAELP CN(C[C@H](O)C[N@H+](C)CC1CCOCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001571605850 1269946498 /nfs/dbraw/zinc/94/64/98/1269946498.db2.gz ACRNCWRUDOPNHU-BRWVUGGUSA-N 2 2 364.490 0.701 10 0 FCAELP CN(C[C@H](O)C[N@@H+](C)CC1CCOCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001571605850 1269946501 /nfs/dbraw/zinc/94/65/01/1269946501.db2.gz ACRNCWRUDOPNHU-BRWVUGGUSA-N 2 2 364.490 0.701 10 0 FCAELP CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1)C(C)C ZINC001343661969 1269976129 /nfs/dbraw/zinc/97/61/29/1269976129.db2.gz CHPPVHPCRCGGCR-JKIFEVAISA-N 2 2 365.478 0.007 10 0 FCAELP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001573063352 1270585148 /nfs/dbraw/zinc/58/51/48/1270585148.db2.gz JZLLIEJCXJNXLT-HZPDHXFCSA-N 2 2 361.490 0.752 10 0 FCAELP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001573190754 1270650943 /nfs/dbraw/zinc/65/09/43/1270650943.db2.gz REZUMVORLSHVCD-UXLLHSPISA-N 2 2 361.490 0.848 10 0 FCAELP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001573190754 1270650947 /nfs/dbraw/zinc/65/09/47/1270650947.db2.gz REZUMVORLSHVCD-UXLLHSPISA-N 2 2 361.490 0.848 10 0 FCAELP C[NH+](C)CCCCC(=O)N1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001573766955 1270875318 /nfs/dbraw/zinc/87/53/18/1270875318.db2.gz NIGJGRQKPDBLOF-BEFAXECRSA-N 2 2 361.490 0.991 10 0 FCAELP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001574049854 1271034169 /nfs/dbraw/zinc/03/41/69/1271034169.db2.gz IQSHLCNTTLYOIO-HZPDHXFCSA-N 2 2 363.506 0.905 10 0 FCAELP C[NH+](C)CCOCC(=O)NC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001576418346 1273245739 /nfs/dbraw/zinc/24/57/39/1273245739.db2.gz DQUYBINPPIHTTQ-HUUCEWRRSA-N 2 2 363.462 0.199 10 0 FCAELP C[NH+](C)CCOCC(=O)NC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001576418346 1273245745 /nfs/dbraw/zinc/24/57/45/1273245745.db2.gz DQUYBINPPIHTTQ-HUUCEWRRSA-N 2 2 363.462 0.199 10 0 FCAELP CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1CCC(=O)NC1=O ZINC001713551005 1287285859 /nfs/dbraw/zinc/28/58/59/1287285859.db2.gz WLAHGSVFSFYVCF-MCIONIFRSA-N 2 2 361.446 0.157 10 0 FCAELP CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1CCC(=O)NC1=O ZINC001713551005 1287285864 /nfs/dbraw/zinc/28/58/64/1287285864.db2.gz WLAHGSVFSFYVCF-MCIONIFRSA-N 2 2 361.446 0.157 10 0 FCAELP CC(C)OCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001713997814 1287310639 /nfs/dbraw/zinc/31/06/39/1287310639.db2.gz MPXHOWPCRXARQK-XDNAFOTISA-N 2 2 369.506 0.528 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCn1cncn1 ZINC001714135313 1287314637 /nfs/dbraw/zinc/31/46/37/1287314637.db2.gz LQYCMSBSQOPOEV-ARFHVFGLSA-N 2 2 357.462 0.786 10 0 FCAELP C[C@H]1CCCCN1C(=O)C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001714760930 1287334584 /nfs/dbraw/zinc/33/45/84/1287334584.db2.gz ZXEGIEKHGHZDRG-ARFHVFGLSA-N 2 2 361.490 0.973 10 0 FCAELP CN(C)c1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)ccn1 ZINC001716089032 1287369382 /nfs/dbraw/zinc/36/93/82/1287369382.db2.gz ADCVVZBHPDYDNP-RBSFLKMASA-N 2 2 358.446 0.241 10 0 FCAELP CN(C)c1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)ccn1 ZINC001716089032 1287369391 /nfs/dbraw/zinc/36/93/91/1287369391.db2.gz ADCVVZBHPDYDNP-RBSFLKMASA-N 2 2 358.446 0.241 10 0 FCAELP CNC(=O)c1cccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC001716090067 1287370895 /nfs/dbraw/zinc/37/08/95/1287370895.db2.gz NIJHTTOTWRMNRA-BZUAXINKSA-N 2 2 371.441 0.140 10 0 FCAELP O=C(NC/C=C/C[NH2+]C/C=C/Cl)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001716324121 1287376860 /nfs/dbraw/zinc/37/68/60/1287376860.db2.gz AEISDBLOCJGHFV-UZLGJCQWSA-N 2 2 357.882 0.881 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]Cc2nnn(C(C)(C)C)n2)C2CC2)CC[N@@H+]1C ZINC001716611942 1287384505 /nfs/dbraw/zinc/38/45/05/1287384505.db2.gz VICRZMFCSHCFFO-YUELXQCFSA-N 2 2 363.510 0.753 10 0 FCAELP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]Cc2nnn(C(C)(C)C)n2)C2CC2)CC[N@H+]1C ZINC001716611942 1287384506 /nfs/dbraw/zinc/38/45/06/1287384506.db2.gz VICRZMFCSHCFFO-YUELXQCFSA-N 2 2 363.510 0.753 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCC2([NH2+]Cc3csnn3)CCOCC2)CC[N@@H+]1C ZINC001716904822 1287393725 /nfs/dbraw/zinc/39/37/25/1287393725.db2.gz SSFFNGARCQBMOA-TZMCWYRMSA-N 2 2 353.492 0.633 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCC2([NH2+]Cc3csnn3)CCOCC2)CC[N@H+]1C ZINC001716904822 1287393727 /nfs/dbraw/zinc/39/37/27/1287393727.db2.gz SSFFNGARCQBMOA-TZMCWYRMSA-N 2 2 353.492 0.633 10 0 FCAELP CN(C[C@@H](O)C[NH2+]Cc1ccc2nonc2c1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001717920242 1287444467 /nfs/dbraw/zinc/44/44/67/1287444467.db2.gz XBKSIWNYVUATGM-BFHYXJOUSA-N 2 2 370.413 0.659 10 0 FCAELP CN(C[C@@H](O)C[NH2+]Cc1ccc2nonc2c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001717920242 1287444471 /nfs/dbraw/zinc/44/44/71/1287444471.db2.gz XBKSIWNYVUATGM-BFHYXJOUSA-N 2 2 370.413 0.659 10 0 FCAELP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)NC(=O)Cn1cc[nH+]c1C ZINC001582562968 1281746505 /nfs/dbraw/zinc/74/65/05/1281746505.db2.gz CCCBXNSQQOLVGX-RBSFLKMASA-N 2 2 358.446 0.740 10 0 FCAELP O=C(NC/C=C/CNC(=O)C12CCC[NH+]1CCC2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001583446916 1282091451 /nfs/dbraw/zinc/09/14/51/1282091451.db2.gz AKENWZGOJWBRCB-RIVGAVQESA-N 2 2 357.458 0.930 10 0 FCAELP O=C(NC/C=C/CNC(=O)C12CCC[NH+]1CCC2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001583446916 1282091454 /nfs/dbraw/zinc/09/14/54/1282091454.db2.gz AKENWZGOJWBRCB-RIVGAVQESA-N 2 2 357.458 0.930 10 0 FCAELP Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001641457845 1282951270 /nfs/dbraw/zinc/95/12/70/1282951270.db2.gz OHDMPARCWISVJL-LPHOPBHVSA-N 2 2 358.442 0.597 10 0 FCAELP Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC001641457845 1282951281 /nfs/dbraw/zinc/95/12/81/1282951281.db2.gz OHDMPARCWISVJL-LPHOPBHVSA-N 2 2 358.442 0.597 10 0 FCAELP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC001641896601 1282979007 /nfs/dbraw/zinc/97/90/07/1282979007.db2.gz KOTPNMQCJRPFOI-IRXDYDNUSA-N 2 2 360.506 0.835 10 0 FCAELP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001683025314 1283840463 /nfs/dbraw/zinc/84/04/63/1283840463.db2.gz AHEYTEXSJUFBSS-HUUCEWRRSA-N 2 2 361.490 0.800 10 0 FCAELP CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C)[NH+](C)C ZINC001683074756 1283858812 /nfs/dbraw/zinc/85/88/12/1283858812.db2.gz DXHMQKQHIMQZAF-IIDMSEBBSA-N 2 2 363.506 0.902 10 0 FCAELP C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1O ZINC001719130229 1287794353 /nfs/dbraw/zinc/79/43/53/1287794353.db2.gz AJMKGVHKQAXPDB-IAGOWNOFSA-N 2 2 371.441 0.126 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCN1C(=O)CCc1c[nH+]cn1C ZINC001702705978 1285801759 /nfs/dbraw/zinc/80/17/59/1285801759.db2.gz ZPRSRQHMMKHSOQ-ZBFHGGJFSA-N 2 2 361.490 0.943 10 0 FCAELP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1CCNC(=O)Cn1cc[nH+]c1 ZINC001702842397 1285936445 /nfs/dbraw/zinc/93/64/45/1285936445.db2.gz JZMKZSLTYZPVLG-ZACQAIPSSA-N 2 2 361.490 0.968 10 0 FCAELP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1CCNC(=O)Cn1cc[nH+]c1 ZINC001702842397 1285936450 /nfs/dbraw/zinc/93/64/50/1285936450.db2.gz JZMKZSLTYZPVLG-ZACQAIPSSA-N 2 2 361.490 0.968 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001707194390 1286500372 /nfs/dbraw/zinc/50/03/72/1286500372.db2.gz CGADNAXEPULDCI-QLFBSQMISA-N 2 2 364.494 0.452 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001707194390 1286500380 /nfs/dbraw/zinc/50/03/80/1286500380.db2.gz CGADNAXEPULDCI-QLFBSQMISA-N 2 2 364.494 0.452 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC[NH+]1Cc1nc(=O)n(C)[nH]1 ZINC001707194390 1286500384 /nfs/dbraw/zinc/50/03/84/1286500384.db2.gz CGADNAXEPULDCI-QLFBSQMISA-N 2 2 364.494 0.452 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1nc(=O)n(C)[nH]1 ZINC001707194390 1286500391 /nfs/dbraw/zinc/50/03/91/1286500391.db2.gz CGADNAXEPULDCI-QLFBSQMISA-N 2 2 364.494 0.452 10 0 FCAELP CCS(=O)(=O)CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001707222463 1287067921 /nfs/dbraw/zinc/06/79/21/1287067921.db2.gz UOWUUDSDXRGHHB-CABCVRRESA-N 2 2 368.503 0.557 10 0 FCAELP CCS(=O)(=O)CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001707222463 1287067933 /nfs/dbraw/zinc/06/79/33/1287067933.db2.gz UOWUUDSDXRGHHB-CABCVRRESA-N 2 2 368.503 0.557 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCCC[NH+](C)Cc2nnc3n2CCOC3)CC[N@@H+]1C ZINC001707375733 1287132188 /nfs/dbraw/zinc/13/21/88/1287132188.db2.gz PXVWCRQJGMNBKQ-ZIAGYGMSSA-N 2 2 350.467 0.087 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCCC[NH+](C)Cc2nnc3n2CCOC3)CC[N@H+]1C ZINC001707375733 1287132194 /nfs/dbraw/zinc/13/21/94/1287132194.db2.gz PXVWCRQJGMNBKQ-ZIAGYGMSSA-N 2 2 350.467 0.087 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCCC[N@H+](C)Cc2nnc3n2CCOC3)CC[NH+]1C ZINC001707375733 1287132201 /nfs/dbraw/zinc/13/22/01/1287132201.db2.gz PXVWCRQJGMNBKQ-ZIAGYGMSSA-N 2 2 350.467 0.087 10 0 FCAELP C[C@@H]1[C@H](C(=O)NCCC[N@@H+](C)Cc2nnc3n2CCOC3)CC[NH+]1C ZINC001707375733 1287132205 /nfs/dbraw/zinc/13/22/05/1287132205.db2.gz PXVWCRQJGMNBKQ-ZIAGYGMSSA-N 2 2 350.467 0.087 10 0 FCAELP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H](OC)C1 ZINC001719233510 1287914139 /nfs/dbraw/zinc/91/41/39/1287914139.db2.gz FDORUMJHHDNFGV-RRCSTGOVSA-N 2 2 363.462 0.197 10 0 FCAELP CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H](OC)C1 ZINC001719233510 1287914145 /nfs/dbraw/zinc/91/41/45/1287914145.db2.gz FDORUMJHHDNFGV-RRCSTGOVSA-N 2 2 363.462 0.197 10 0 FCAELP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H](OC)C1 ZINC001719233510 1287914150 /nfs/dbraw/zinc/91/41/50/1287914150.db2.gz FDORUMJHHDNFGV-RRCSTGOVSA-N 2 2 363.462 0.197 10 0 FCAELP 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C[N@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@@H]1c1ccc(F)cc1 ZINC001325393730 869874715 /nfs/dbraw/zinc/87/47/15/869874715.db2.gz OICZNIIHBNFDNZ-OLZOCXBDSA-N 2 2 358.364 0.397 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@H]1c1ccc(F)cc1 ZINC001325393729 869875089 /nfs/dbraw/zinc/87/50/89/869875089.db2.gz OICZNIIHBNFDNZ-CHWSQXEVSA-N 2 2 358.364 0.397 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@H]1c1ccc(F)cc1 ZINC001325393729 869875097 /nfs/dbraw/zinc/87/50/97/869875097.db2.gz OICZNIIHBNFDNZ-CHWSQXEVSA-N 2 2 358.364 0.397 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@H]1c1ccc(F)cc1 ZINC001325393731 869875345 /nfs/dbraw/zinc/87/53/45/869875345.db2.gz OICZNIIHBNFDNZ-QWHCGFSZSA-N 2 2 358.364 0.397 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@H]1c1ccc(F)cc1 ZINC001325393731 869875354 /nfs/dbraw/zinc/87/53/54/869875354.db2.gz OICZNIIHBNFDNZ-QWHCGFSZSA-N 2 2 358.364 0.397 10 0 FCAELP CS(=O)(=O)CCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC001326834150 870520503 /nfs/dbraw/zinc/52/05/03/870520503.db2.gz GEYBMMYSVVVQTF-CHWSQXEVSA-N 2 2 354.476 0.576 10 0 FCAELP CS(=O)(=O)CCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC001326834150 870520511 /nfs/dbraw/zinc/52/05/11/870520511.db2.gz GEYBMMYSVVVQTF-CHWSQXEVSA-N 2 2 354.476 0.576 10 0 FCAELP CC1([NH2+]CCF)CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001328007866 871181933 /nfs/dbraw/zinc/18/19/33/871181933.db2.gz XSRCLBNXISLSIK-CVEARBPZSA-N 2 2 357.470 0.806 10 0 FCAELP C[C@H](NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001346607748 871931630 /nfs/dbraw/zinc/93/16/30/871931630.db2.gz WJFFDXAXLPKQMC-BBWFWOEESA-N 2 2 355.527 0.373 10 0 FCAELP C[C@H](NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[C@@H]1CN(C)CC[N@H+]1C ZINC001346607748 871931640 /nfs/dbraw/zinc/93/16/40/871931640.db2.gz WJFFDXAXLPKQMC-BBWFWOEESA-N 2 2 355.527 0.373 10 0 FCAELP C[C@H](NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[C@H]1CN(C)CC[N@@H+]1C ZINC001346607754 871932224 /nfs/dbraw/zinc/93/22/24/871932224.db2.gz WJFFDXAXLPKQMC-YESZJQIVSA-N 2 2 355.527 0.373 10 0 FCAELP C[C@H](NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[C@H]1CN(C)CC[N@H+]1C ZINC001346607754 871932231 /nfs/dbraw/zinc/93/22/31/871932231.db2.gz WJFFDXAXLPKQMC-YESZJQIVSA-N 2 2 355.527 0.373 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC[C@H]3CC3(F)F)C2)CC1 ZINC001331077634 872947767 /nfs/dbraw/zinc/94/77/67/872947767.db2.gz LXXGBKPHKDGVAL-STQMWFEESA-N 2 2 358.433 0.433 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC[C@H]3CC3(F)F)C2)CC1 ZINC001331077634 872947769 /nfs/dbraw/zinc/94/77/69/872947769.db2.gz LXXGBKPHKDGVAL-STQMWFEESA-N 2 2 358.433 0.433 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)n1 ZINC001333250580 873873961 /nfs/dbraw/zinc/87/39/61/873873961.db2.gz VLNAEPZNDSJIMU-CQSZACIVSA-N 2 2 365.503 0.518 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)n1 ZINC001333250580 873873977 /nfs/dbraw/zinc/87/39/77/873873977.db2.gz VLNAEPZNDSJIMU-CQSZACIVSA-N 2 2 365.503 0.518 10 0 FCAELP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292099401 214076799 /nfs/dbraw/zinc/07/67/99/214076799.db2.gz HRNVYJOTALJZEZ-SUMWQHHRSA-N 2 2 366.487 0.689 10 0 FCAELP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292099401 214076803 /nfs/dbraw/zinc/07/68/03/214076803.db2.gz HRNVYJOTALJZEZ-SUMWQHHRSA-N 2 2 366.487 0.689 10 0 FCAELP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292099401 214076804 /nfs/dbraw/zinc/07/68/04/214076804.db2.gz HRNVYJOTALJZEZ-SUMWQHHRSA-N 2 2 366.487 0.689 10 0 FCAELP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292099401 214076808 /nfs/dbraw/zinc/07/68/08/214076808.db2.gz HRNVYJOTALJZEZ-SUMWQHHRSA-N 2 2 366.487 0.689 10 0 FCAELP CC(C)C1([NH2+]CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000293022983 214138894 /nfs/dbraw/zinc/13/88/94/214138894.db2.gz PBLVWHRIZWUDES-UHFFFAOYSA-N 2 2 357.462 0.790 10 0 FCAELP COc1ccc(F)c(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000293436931 214173460 /nfs/dbraw/zinc/17/34/60/214173460.db2.gz BQSSWNWOFXEJIC-OAHLLOKOSA-N 2 2 351.422 0.857 10 0 FCAELP CC[C@@H]1CN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000332994818 215221881 /nfs/dbraw/zinc/22/18/81/215221881.db2.gz DZCULBJSIQPMGV-ZACQAIPSSA-N 2 2 354.495 0.459 10 0 FCAELP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CC[NH+](C2CC2)CC1 ZINC000333906926 215329566 /nfs/dbraw/zinc/32/95/66/215329566.db2.gz VKVKUIGWUWDLNV-UHFFFAOYSA-N 2 2 352.479 0.357 10 0 FCAELP CN(C(=O)CNC(=O)c1ccccn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000361504222 215395643 /nfs/dbraw/zinc/39/56/43/215395643.db2.gz NYRFTRGJXCOVDB-INIZCTEOSA-N 2 2 359.474 0.438 10 0 FCAELP CN(C(=O)CNC(=O)c1ccccn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000361504222 215395646 /nfs/dbraw/zinc/39/56/46/215395646.db2.gz NYRFTRGJXCOVDB-INIZCTEOSA-N 2 2 359.474 0.438 10 0 FCAELP COC(OC)C(=O)N1CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000930959254 674081921 /nfs/dbraw/zinc/08/19/21/674081921.db2.gz USWQHZFURSPARD-UHFFFAOYSA-N 2 2 356.511 0.166 10 0 FCAELP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000285001906 213264993 /nfs/dbraw/zinc/26/49/93/213264993.db2.gz QKJLPACPPRQQBL-HNNXBMFYSA-N 2 2 370.457 0.732 10 0 FCAELP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000285001906 213264989 /nfs/dbraw/zinc/26/49/89/213264989.db2.gz QKJLPACPPRQQBL-HNNXBMFYSA-N 2 2 370.457 0.732 10 0 FCAELP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000284931124 213251459 /nfs/dbraw/zinc/25/14/59/213251459.db2.gz NPSIVXQZWXWPRT-XJKSGUPXSA-N 2 2 368.441 0.482 10 0 FCAELP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000284931124 213251463 /nfs/dbraw/zinc/25/14/63/213251463.db2.gz NPSIVXQZWXWPRT-XJKSGUPXSA-N 2 2 368.441 0.482 10 0 FCAELP O=C(NCCCC[NH+]1CCOCC1)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000284740986 213210875 /nfs/dbraw/zinc/21/08/75/213210875.db2.gz RUAQOVOCTSAHHW-UHFFFAOYSA-N 2 2 359.430 0.179 10 0 FCAELP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(N(C)C)[nH+]c2)[C@H](C)C1 ZINC000284465658 213146331 /nfs/dbraw/zinc/14/63/31/213146331.db2.gz GHRFAOGCHJGYOW-ZBFHGGJFSA-N 2 2 361.490 0.953 10 0 FCAELP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(N(C)C)[nH+]c2)[C@H](C)C1 ZINC000284465658 213146333 /nfs/dbraw/zinc/14/63/33/213146333.db2.gz GHRFAOGCHJGYOW-ZBFHGGJFSA-N 2 2 361.490 0.953 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC3(C2)OCCO3)C1 ZINC000366701405 216019207 /nfs/dbraw/zinc/01/92/07/216019207.db2.gz ONYATUUWNIEXOA-MRXNPFEDSA-N 2 2 355.479 0.298 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC3(C2)OCCO3)C1 ZINC000366701405 216019210 /nfs/dbraw/zinc/01/92/10/216019210.db2.gz ONYATUUWNIEXOA-MRXNPFEDSA-N 2 2 355.479 0.298 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCCC3(C2)OCCO3)C1 ZINC000366701405 216019213 /nfs/dbraw/zinc/01/92/13/216019213.db2.gz ONYATUUWNIEXOA-MRXNPFEDSA-N 2 2 355.479 0.298 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCCC3(C2)OCCO3)C1 ZINC000366701405 216019219 /nfs/dbraw/zinc/01/92/19/216019219.db2.gz ONYATUUWNIEXOA-MRXNPFEDSA-N 2 2 355.479 0.298 10 0 FCAELP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000367742729 216156114 /nfs/dbraw/zinc/15/61/14/216156114.db2.gz BOAIPGZLMRNINO-DLBZAZTESA-N 2 2 354.495 0.603 10 0 FCAELP C[C@@H](NC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000246545179 209390494 /nfs/dbraw/zinc/39/04/94/209390494.db2.gz XTVUOONMRNRKBY-BRWVUGGUSA-N 2 2 368.522 0.990 10 0 FCAELP C[C@@H](NC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000246545179 209390498 /nfs/dbraw/zinc/39/04/98/209390498.db2.gz XTVUOONMRNRKBY-BRWVUGGUSA-N 2 2 368.522 0.990 10 0 FCAELP O=C(NC[C@@H](O)C[NH+]1CCOCC1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000245628777 209371829 /nfs/dbraw/zinc/37/18/29/209371829.db2.gz PNSLRVBUZVFNCT-MOPGFXCFSA-N 2 2 361.486 0.850 10 0 FCAELP O=C(NC[C@@H](O)C[NH+]1CCOCC1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000245628777 209371827 /nfs/dbraw/zinc/37/18/27/209371827.db2.gz PNSLRVBUZVFNCT-MOPGFXCFSA-N 2 2 361.486 0.850 10 0 FCAELP O=C(NC[C@@H](O)C[NH+]1CCOCC1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000245694748 209373757 /nfs/dbraw/zinc/37/37/57/209373757.db2.gz RAGBJDQLCVCOCF-QZTJIDSGSA-N 2 2 365.449 0.599 10 0 FCAELP O=C(NC[C@@H](O)C[NH+]1CCOCC1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000245694748 209373761 /nfs/dbraw/zinc/37/37/61/209373761.db2.gz RAGBJDQLCVCOCF-QZTJIDSGSA-N 2 2 365.449 0.599 10 0 FCAELP C[C@@H](C(=O)NC[C@H]1CCCO1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000245627598 209371896 /nfs/dbraw/zinc/37/18/96/209371896.db2.gz PFNCBOLTYKIVAZ-QRXAFDDPSA-N 2 2 364.534 0.913 10 0 FCAELP C[C@@H](C(=O)NC[C@H]1CCCO1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000245627598 209371900 /nfs/dbraw/zinc/37/19/00/209371900.db2.gz PFNCBOLTYKIVAZ-QRXAFDDPSA-N 2 2 364.534 0.913 10 0 FCAELP C[C@@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000245627598 209371904 /nfs/dbraw/zinc/37/19/04/209371904.db2.gz PFNCBOLTYKIVAZ-QRXAFDDPSA-N 2 2 364.534 0.913 10 0 FCAELP C[C@@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000245627598 209371907 /nfs/dbraw/zinc/37/19/07/209371907.db2.gz PFNCBOLTYKIVAZ-QRXAFDDPSA-N 2 2 364.534 0.913 10 0 FCAELP Cc1ccc(N2CCC(C(=O)NC[C@H](O)C[NH+]3CCOCC3)CC2)[nH+]c1 ZINC000194136564 209323850 /nfs/dbraw/zinc/32/38/50/209323850.db2.gz ZGQRYYOMSMRHEI-KRWDZBQOSA-N 2 2 362.474 0.416 10 0 FCAELP C[N@@H+]1Cc2ccc(NC(=O)C(=O)NCCCC[NH+]3CCOCC3)cc2C1 ZINC000193919015 209321440 /nfs/dbraw/zinc/32/14/40/209321440.db2.gz QTLZLQFGKPCLJI-UHFFFAOYSA-N 2 2 360.458 0.799 10 0 FCAELP C[N@H+]1Cc2ccc(NC(=O)C(=O)NCCCC[NH+]3CCOCC3)cc2C1 ZINC000193919015 209321443 /nfs/dbraw/zinc/32/14/43/209321443.db2.gz QTLZLQFGKPCLJI-UHFFFAOYSA-N 2 2 360.458 0.799 10 0 FCAELP CN1C(=O)C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000192153214 209297136 /nfs/dbraw/zinc/29/71/36/209297136.db2.gz AWFGPDXTAVYVJX-MAUKXSAKSA-N 2 2 364.877 0.975 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCCN3CCOC3=O)C2)CC1 ZINC000369373509 216391034 /nfs/dbraw/zinc/39/10/34/216391034.db2.gz PNVMMJGHHIDSQK-CQSZACIVSA-N 2 2 353.467 0.296 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCCN3CCOC3=O)C2)CC1 ZINC000369373509 216391036 /nfs/dbraw/zinc/39/10/36/216391036.db2.gz PNVMMJGHHIDSQK-CQSZACIVSA-N 2 2 353.467 0.296 10 0 FCAELP O=C(Nc1ccccc1C[NH+]1CCOCC1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189782915 209260073 /nfs/dbraw/zinc/26/00/73/209260073.db2.gz QNDWELPZBRXOLI-UHFFFAOYSA-N 2 2 372.469 0.764 10 0 FCAELP CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000189457943 209252304 /nfs/dbraw/zinc/25/23/04/209252304.db2.gz DRFXFADCWRNMBP-KRWDZBQOSA-N 2 2 362.474 0.602 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC(NC(=O)C4CC4)C3)CC2)CC1 ZINC000186693870 209196944 /nfs/dbraw/zinc/19/69/44/209196944.db2.gz PPHJRSJMQHMCFV-UHFFFAOYSA-N 2 2 363.506 0.465 10 0 FCAELP CNC(=O)C[NH+]1CCC(NC(=O)N2CCCN(c3cccc[nH+]3)CC2)CC1 ZINC000186345337 209189903 /nfs/dbraw/zinc/18/99/03/209189903.db2.gz GXFDVSRSGZMPEV-UHFFFAOYSA-N 2 2 374.489 0.514 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)N3CC[N@@H+](CC(C)(C)O)C[C@H]3C)ccc2[nH+]1 ZINC000275918247 212119514 /nfs/dbraw/zinc/11/95/14/212119514.db2.gz LWEHBKOYDHYSKK-CQSZACIVSA-N 2 2 373.457 0.885 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)N3CC[N@H+](CC(C)(C)O)C[C@H]3C)ccc2[nH+]1 ZINC000275918247 212119515 /nfs/dbraw/zinc/11/95/15/212119515.db2.gz LWEHBKOYDHYSKK-CQSZACIVSA-N 2 2 373.457 0.885 10 0 FCAELP C[C@H]1C[C@@H](C(=O)N2CCC[NH+](CC(=O)N3CCCC3)CC2)CC[N@@H+]1C ZINC000373372819 217013400 /nfs/dbraw/zinc/01/34/00/217013400.db2.gz KJOIAGRQMCEWJT-IRXDYDNUSA-N 2 2 350.507 0.873 10 0 FCAELP C[C@H]1C[C@@H](C(=O)N2CCC[NH+](CC(=O)N3CCCC3)CC2)CC[N@H+]1C ZINC000373372819 217013403 /nfs/dbraw/zinc/01/34/03/217013403.db2.gz KJOIAGRQMCEWJT-IRXDYDNUSA-N 2 2 350.507 0.873 10 0 FCAELP C[C@H]1C[C@@H](C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)CC[NH+]1C ZINC000373372819 217013405 /nfs/dbraw/zinc/01/34/05/217013405.db2.gz KJOIAGRQMCEWJT-IRXDYDNUSA-N 2 2 350.507 0.873 10 0 FCAELP C[C@H]1C[C@@H](C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CC[NH+]1C ZINC000373372819 217013408 /nfs/dbraw/zinc/01/34/08/217013408.db2.gz KJOIAGRQMCEWJT-IRXDYDNUSA-N 2 2 350.507 0.873 10 0 FCAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)CC1 ZINC000373393220 217014986 /nfs/dbraw/zinc/01/49/86/217014986.db2.gz KXFCRQRQESJIEK-LJQANCHMSA-N 2 2 368.522 0.992 10 0 FCAELP COC[C@@H]1C[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H](C)O1 ZINC000373675490 217043678 /nfs/dbraw/zinc/04/36/78/217043678.db2.gz JJSVBHOZYYQBKQ-ZACQAIPSSA-N 2 2 357.495 0.195 10 0 FCAELP COC[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H](C)O1 ZINC000373675490 217043681 /nfs/dbraw/zinc/04/36/81/217043681.db2.gz JJSVBHOZYYQBKQ-ZACQAIPSSA-N 2 2 357.495 0.195 10 0 FCAELP 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FCAELP CC[C@@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC[N@H+]1C[C@H](C)O ZINC000248488973 488497446 /nfs/dbraw/zinc/49/74/46/488497446.db2.gz MSZVZHOEGIAFFB-YESZJQIVSA-N 2 2 355.527 0.109 10 0 FCAELP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000105137514 488508141 /nfs/dbraw/zinc/50/81/41/488508141.db2.gz FOJVVDOYMIOFDP-UHFFFAOYSA-N 2 2 351.495 0.467 10 0 FCAELP O=c1onc(-c2ccccc2)n1C[C@@H](O)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000563011507 491207826 /nfs/dbraw/zinc/20/78/26/491207826.db2.gz NQPFALZDPAUIMA-KGLIPLIRSA-N 2 2 355.398 0.734 10 0 FCAELP O=c1onc(-c2ccccc2)n1C[C@@H](O)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000563011507 491207828 /nfs/dbraw/zinc/20/78/28/491207828.db2.gz NQPFALZDPAUIMA-KGLIPLIRSA-N 2 2 355.398 0.734 10 0 FCAELP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc(=O)n4[nH]ccc4n3)CC2)CC1 ZINC000109789544 488524136 /nfs/dbraw/zinc/52/41/36/488524136.db2.gz LHJNPEUYVTUVFU-UHFFFAOYSA-N 2 2 372.473 0.399 10 0 FCAELP Cc1noc(C)c1S(=O)(=O)N1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261697475 488531208 /nfs/dbraw/zinc/53/12/08/488531208.db2.gz CBVYMSNBPDMDJQ-INIZCTEOSA-N 2 2 356.492 0.987 10 0 FCAELP Cc1noc(C)c1S(=O)(=O)N1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261697475 488531211 /nfs/dbraw/zinc/53/12/11/488531211.db2.gz CBVYMSNBPDMDJQ-INIZCTEOSA-N 2 2 356.492 0.987 10 0 FCAELP C[C@@H](CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C[NH+]1CCN(C)CC1 ZINC000112403800 488534359 /nfs/dbraw/zinc/53/43/59/488534359.db2.gz YIHJNNHSQIDABF-KRWDZBQOSA-N 2 2 374.533 0.447 10 0 FCAELP C[C@@H](CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)CN1CC[NH+](C)CC1 ZINC000112403800 488534360 /nfs/dbraw/zinc/53/43/60/488534360.db2.gz YIHJNNHSQIDABF-KRWDZBQOSA-N 2 2 374.533 0.447 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)NCCCC[N@@H+]3CCC[C@@H]3CO)ccc2[nH+]1 ZINC000271669012 488537157 /nfs/dbraw/zinc/53/71/57/488537157.db2.gz PSLCGKPZEZKQHJ-MRXNPFEDSA-N 2 2 373.457 0.934 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)NCCCC[N@H+]3CCC[C@@H]3CO)ccc2[nH+]1 ZINC000271669012 488537159 /nfs/dbraw/zinc/53/71/59/488537159.db2.gz PSLCGKPZEZKQHJ-MRXNPFEDSA-N 2 2 373.457 0.934 10 0 FCAELP C[NH+]1CCN(c2cc(C(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)ccn2)CC1 ZINC000114858581 488542412 /nfs/dbraw/zinc/54/24/12/488542412.db2.gz UBUUFRBUDKEIAY-KRWDZBQOSA-N 2 2 359.474 0.426 10 0 FCAELP C[NH+]1CCN(c2cc(C(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)ccn2)CC1 ZINC000114858581 488542413 /nfs/dbraw/zinc/54/24/13/488542413.db2.gz UBUUFRBUDKEIAY-KRWDZBQOSA-N 2 2 359.474 0.426 10 0 FCAELP COCC[N@@H+]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC000117285735 488551128 /nfs/dbraw/zinc/55/11/28/488551128.db2.gz NGURGNUYTUYNLX-IBGZPJMESA-N 2 2 374.529 0.983 10 0 FCAELP COCC[N@H+]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC000117285735 488551129 /nfs/dbraw/zinc/55/11/29/488551129.db2.gz NGURGNUYTUYNLX-IBGZPJMESA-N 2 2 374.529 0.983 10 0 FCAELP COCC[N@@H+]1CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC000117474368 488551824 /nfs/dbraw/zinc/55/18/24/488551824.db2.gz PALHRVIKDYQWKV-IRXDYDNUSA-N 2 2 356.511 0.705 10 0 FCAELP COCC[N@H+]1CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC000117474368 488551826 /nfs/dbraw/zinc/55/18/26/488551826.db2.gz PALHRVIKDYQWKV-IRXDYDNUSA-N 2 2 356.511 0.705 10 0 FCAELP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119003008 488554763 /nfs/dbraw/zinc/55/47/63/488554763.db2.gz AHEIVXGHENJXEE-OFLPRAFFSA-N 2 2 356.511 0.441 10 0 FCAELP CCNC(=O)N1CC[C@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000120591655 488562458 /nfs/dbraw/zinc/56/24/58/488562458.db2.gz RFZUEDRMMVSOBL-AWEZNQCLSA-N 2 2 354.499 0.115 10 0 FCAELP O=C(C[N@@H+]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1)N1CCCC1 ZINC000262355826 488565587 /nfs/dbraw/zinc/56/55/87/488565587.db2.gz GTVRIOVFAIANKA-FXAWDEMLSA-N 2 2 362.518 0.923 10 0 FCAELP O=C(C[N@H+]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1)N1CCCC1 ZINC000262355826 488565589 /nfs/dbraw/zinc/56/55/89/488565589.db2.gz GTVRIOVFAIANKA-FXAWDEMLSA-N 2 2 362.518 0.923 10 0 FCAELP CC(C)OC[C@@H](O)C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000562989404 491206126 /nfs/dbraw/zinc/20/61/26/491206126.db2.gz JJGWXOTYROWXHQ-INIZCTEOSA-N 2 2 350.463 0.496 10 0 FCAELP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000262464412 488571584 /nfs/dbraw/zinc/57/15/84/488571584.db2.gz WEMSSXYGCSOIDC-BBWFWOEESA-N 2 2 350.507 0.920 10 0 FCAELP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000272297961 488572048 /nfs/dbraw/zinc/57/20/48/488572048.db2.gz ICDVNDFBOXQZLB-KRWDZBQOSA-N 2 2 368.441 0.646 10 0 FCAELP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000272297961 488572050 /nfs/dbraw/zinc/57/20/50/488572050.db2.gz ICDVNDFBOXQZLB-KRWDZBQOSA-N 2 2 368.441 0.646 10 0 FCAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC[N@@H+]1C ZINC000123153707 488583079 /nfs/dbraw/zinc/58/30/79/488583079.db2.gz AAZDJHYGUDFBCP-JSGCOSHPSA-N 2 2 354.476 0.687 10 0 FCAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC[N@H+]1C ZINC000123153707 488583081 /nfs/dbraw/zinc/58/30/81/488583081.db2.gz AAZDJHYGUDFBCP-JSGCOSHPSA-N 2 2 354.476 0.687 10 0 FCAELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC[NH+]1C ZINC000123153707 488583083 /nfs/dbraw/zinc/58/30/83/488583083.db2.gz AAZDJHYGUDFBCP-JSGCOSHPSA-N 2 2 354.476 0.687 10 0 FCAELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC[NH+]1C ZINC000123153707 488583084 /nfs/dbraw/zinc/58/30/84/488583084.db2.gz AAZDJHYGUDFBCP-JSGCOSHPSA-N 2 2 354.476 0.687 10 0 FCAELP CCCNC(=O)CCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000123220256 488584002 /nfs/dbraw/zinc/58/40/02/488584002.db2.gz GNKSNSNWBAETQS-SJPCQFCGSA-N 2 2 365.522 0.855 10 0 FCAELP CCCNC(=O)CCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000123220256 488584003 /nfs/dbraw/zinc/58/40/03/488584003.db2.gz GNKSNSNWBAETQS-SJPCQFCGSA-N 2 2 365.522 0.855 10 0 FCAELP Cc1noc(CCNC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000124164440 488590482 /nfs/dbraw/zinc/59/04/82/488590482.db2.gz FBUDADBVKGVPBV-XYPWUTKMSA-N 2 2 362.478 0.873 10 0 FCAELP Cc1noc(CCNC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000124164440 488590484 /nfs/dbraw/zinc/59/04/84/488590484.db2.gz FBUDADBVKGVPBV-XYPWUTKMSA-N 2 2 362.478 0.873 10 0 FCAELP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@@H]3CC(F)(F)C[NH2+]3)cc2)CC1 ZINC000262954843 488600340 /nfs/dbraw/zinc/60/03/40/488600340.db2.gz KDKJUPUZMZCBLG-HNNXBMFYSA-N 2 2 366.412 0.688 10 0 FCAELP CC[C@H](C)[N@H+](C)CCNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000125654746 488602859 /nfs/dbraw/zinc/60/28/59/488602859.db2.gz RKIKZZQXUQLTHX-INIZCTEOSA-N 2 2 367.538 0.960 10 0 FCAELP CC[C@H](C)[N@@H+](C)CCNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000125654746 488602861 /nfs/dbraw/zinc/60/28/61/488602861.db2.gz RKIKZZQXUQLTHX-INIZCTEOSA-N 2 2 367.538 0.960 10 0 FCAELP O=C(NC[C@H](O)C[NH+]1CCOCC1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000128139040 488622856 /nfs/dbraw/zinc/62/28/56/488622856.db2.gz RAGBJDQLCVCOCF-ZWKOTPCHSA-N 2 2 365.449 0.599 10 0 FCAELP O=C(NC[C@H](O)C[NH+]1CCOCC1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000128139040 488622859 /nfs/dbraw/zinc/62/28/59/488622859.db2.gz RAGBJDQLCVCOCF-ZWKOTPCHSA-N 2 2 365.449 0.599 10 0 FCAELP CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000131224648 488643966 /nfs/dbraw/zinc/64/39/66/488643966.db2.gz XXNVPEUOQOFVSF-GOEBONIOSA-N 2 2 372.535 0.072 10 0 FCAELP CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000131224648 488643968 /nfs/dbraw/zinc/64/39/68/488643968.db2.gz XXNVPEUOQOFVSF-GOEBONIOSA-N 2 2 372.535 0.072 10 0 FCAELP C[C@H](CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C[NH+]1CCOCC1 ZINC000133923682 488663377 /nfs/dbraw/zinc/66/33/77/488663377.db2.gz ZHRXQUDDSODQMF-MRXNPFEDSA-N 2 2 361.490 0.532 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000136820443 488678947 /nfs/dbraw/zinc/67/89/47/488678947.db2.gz YXYLKGQFFJBBNM-MRXNPFEDSA-N 2 2 374.489 0.596 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000136820443 488678949 /nfs/dbraw/zinc/67/89/49/488678949.db2.gz YXYLKGQFFJBBNM-MRXNPFEDSA-N 2 2 374.489 0.596 10 0 FCAELP CC[C@@H]1CN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC[N@@H+]1C[C@@H](C)O ZINC000274316112 488697777 /nfs/dbraw/zinc/69/77/77/488697777.db2.gz BZIXJNDPGKZIJG-HUUCEWRRSA-N 2 2 362.478 0.036 10 0 FCAELP CC[C@@H]1CN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC[N@H+]1C[C@@H](C)O ZINC000274316112 488697779 /nfs/dbraw/zinc/69/77/79/488697779.db2.gz BZIXJNDPGKZIJG-HUUCEWRRSA-N 2 2 362.478 0.036 10 0 FCAELP C[N@H+](CC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[C@H]1CCSC1 ZINC000157166854 488769685 /nfs/dbraw/zinc/76/96/85/488769685.db2.gz SYPSETFNKPFMQT-INIZCTEOSA-N 2 2 368.547 0.484 10 0 FCAELP C[N@@H+](CC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[C@H]1CCSC1 ZINC000157166854 488769687 /nfs/dbraw/zinc/76/96/87/488769687.db2.gz SYPSETFNKPFMQT-INIZCTEOSA-N 2 2 368.547 0.484 10 0 FCAELP C[N@@H+]1CCN(C(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)[C@@H](C[NH3+])C1 ZINC000162681329 488804631 /nfs/dbraw/zinc/80/46/31/488804631.db2.gz BAYGBPYLZSVNNY-QWHCGFSZSA-N 2 2 352.385 0.419 10 0 FCAELP C[N@H+]1CCN(C(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)[C@@H](C[NH3+])C1 ZINC000162681329 488804634 /nfs/dbraw/zinc/80/46/34/488804634.db2.gz BAYGBPYLZSVNNY-QWHCGFSZSA-N 2 2 352.385 0.419 10 0 FCAELP C[NH+](C)[C@@H]1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000170835576 488816919 /nfs/dbraw/zinc/81/69/19/488816919.db2.gz BZMXXJLUELIKMB-MRXNPFEDSA-N 2 2 374.489 0.466 10 0 FCAELP C[C@H]1C[N@@H+](C2CCN(C(=O)NCC[NH+]3CCOCC3(C)C)CC2)CCO1 ZINC000170837351 488817043 /nfs/dbraw/zinc/81/70/43/488817043.db2.gz PTDBNAPKMFYDIO-INIZCTEOSA-N 2 2 368.522 0.992 10 0 FCAELP C[C@H]1C[N@H+](C2CCN(C(=O)NCC[NH+]3CCOCC3(C)C)CC2)CCO1 ZINC000170837351 488817044 /nfs/dbraw/zinc/81/70/44/488817044.db2.gz PTDBNAPKMFYDIO-INIZCTEOSA-N 2 2 368.522 0.992 10 0 FCAELP C[C@H]1C[NH+](C2CCN(C(=O)NCC[N@@H+]3CCOCC3(C)C)CC2)CCO1 ZINC000170837351 488817045 /nfs/dbraw/zinc/81/70/45/488817045.db2.gz PTDBNAPKMFYDIO-INIZCTEOSA-N 2 2 368.522 0.992 10 0 FCAELP C[C@H]1C[NH+](C2CCN(C(=O)NCC[N@H+]3CCOCC3(C)C)CC2)CCO1 ZINC000170837351 488817046 /nfs/dbraw/zinc/81/70/46/488817046.db2.gz PTDBNAPKMFYDIO-INIZCTEOSA-N 2 2 368.522 0.992 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000171933319 488828686 /nfs/dbraw/zinc/82/86/86/488828686.db2.gz IORAXRKPIURUBO-RBUKOAKNSA-N 3 2 365.566 0.641 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000171933319 488828688 /nfs/dbraw/zinc/82/86/88/488828688.db2.gz IORAXRKPIURUBO-RBUKOAKNSA-N 3 2 365.566 0.641 10 0 FCAELP Cn1cc(C[N@@H+]2CCCN(c3cc(N4CCC[C@@H]4CO)[nH+]cn3)CC2)cn1 ZINC000172278539 488831790 /nfs/dbraw/zinc/83/17/90/488831790.db2.gz AUJBAAQHBBHRQY-QGZVFWFLSA-N 2 2 371.489 0.884 10 0 FCAELP Cn1cc(C[N@H+]2CCCN(c3cc(N4CCC[C@@H]4CO)[nH+]cn3)CC2)cn1 ZINC000172278539 488831792 /nfs/dbraw/zinc/83/17/92/488831792.db2.gz AUJBAAQHBBHRQY-QGZVFWFLSA-N 2 2 371.489 0.884 10 0 FCAELP C[NH+]1CCC(CNC(=O)Cc2nc3ncccn3n2)([NH+]2CCCCC2)CC1 ZINC000172753026 488837593 /nfs/dbraw/zinc/83/75/93/488837593.db2.gz CDVSZULGVOKSNO-UHFFFAOYSA-N 2 2 371.489 0.733 10 0 FCAELP C(C[N@@H+]1CCC[C@@H]1CN1CCOCC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000173685980 488844559 /nfs/dbraw/zinc/84/45/59/488844559.db2.gz ZJVIRZJWQOFTFJ-WOJBJXKFSA-N 2 2 366.550 0.580 10 0 FCAELP C(C[N@H+]1CCC[C@@H]1CN1CCOCC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000173685980 488844560 /nfs/dbraw/zinc/84/45/60/488844560.db2.gz ZJVIRZJWQOFTFJ-WOJBJXKFSA-N 2 2 366.550 0.580 10 0 FCAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)C(=O)NCCCOC)nc[nH+]1 ZINC000174287938 488848312 /nfs/dbraw/zinc/84/83/12/488848312.db2.gz PZJWBYCSLMTMJV-KBPBESRZSA-N 2 2 350.467 0.618 10 0 FCAELP C[NH+]1CCN([C@H]2CCCC[N@H+](CC(=O)Nc3ccccc3C(N)=O)C2)CC1 ZINC000174884903 488851964 /nfs/dbraw/zinc/85/19/64/488851964.db2.gz BAUJGGDLFTXDBV-INIZCTEOSA-N 2 2 373.501 0.826 10 0 FCAELP C[NH+]1CCN([C@H]2CCCC[N@@H+](CC(=O)Nc3ccccc3C(N)=O)C2)CC1 ZINC000174884903 488851965 /nfs/dbraw/zinc/85/19/65/488851965.db2.gz BAUJGGDLFTXDBV-INIZCTEOSA-N 2 2 373.501 0.826 10 0 FCAELP C[C@H]1CN(C(=O)NCCCC[NH+]2CCOCC2)C[C@H]1[NH+]1CCOCC1 ZINC000175673049 488854874 /nfs/dbraw/zinc/85/48/74/488854874.db2.gz UOKKUXGEFOUMMZ-DLBZAZTESA-N 2 2 354.495 0.461 10 0 FCAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCN(c3cnccn3)CC2)[C@H](C)C1 ZINC000175732454 488855319 /nfs/dbraw/zinc/85/53/19/488855319.db2.gz FMLDCUHYSNSMSI-SJORKVTESA-N 2 2 360.506 0.787 10 0 FCAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCN(c3cnccn3)CC2)[C@H](C)C1 ZINC000175732454 488855320 /nfs/dbraw/zinc/85/53/20/488855320.db2.gz FMLDCUHYSNSMSI-SJORKVTESA-N 2 2 360.506 0.787 10 0 FCAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCN(c3cnccn3)CC2)[C@H](C)C1 ZINC000175732454 488855321 /nfs/dbraw/zinc/85/53/21/488855321.db2.gz FMLDCUHYSNSMSI-SJORKVTESA-N 2 2 360.506 0.787 10 0 FCAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCN(c3cnccn3)CC2)[C@H](C)C1 ZINC000175732454 488855322 /nfs/dbraw/zinc/85/53/22/488855322.db2.gz FMLDCUHYSNSMSI-SJORKVTESA-N 2 2 360.506 0.787 10 0 FCAELP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000175755563 488855416 /nfs/dbraw/zinc/85/54/16/488855416.db2.gz RMWQWKKBAPUCAS-CVEARBPZSA-N 2 2 354.495 0.459 10 0 FCAELP C[C@@H]1CN(C(=O)NCC[N@H+]2CCOCC2(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000175755563 488855417 /nfs/dbraw/zinc/85/54/17/488855417.db2.gz RMWQWKKBAPUCAS-CVEARBPZSA-N 2 2 354.495 0.459 10 0 FCAELP CC(C)OCC[NH+]1CCC(NC(=O)NC[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000176206789 488857615 /nfs/dbraw/zinc/85/76/15/488857615.db2.gz CVVREKLLANXTTB-MRXNPFEDSA-N 2 2 356.511 0.896 10 0 FCAELP CN(C)C(=O)CCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000179121952 488860757 /nfs/dbraw/zinc/86/07/57/488860757.db2.gz BVJKNTAIRDTENI-SJPCQFCGSA-N 2 2 365.522 0.807 10 0 FCAELP CN(C)C(=O)CCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000179121952 488860758 /nfs/dbraw/zinc/86/07/58/488860758.db2.gz BVJKNTAIRDTENI-SJPCQFCGSA-N 2 2 365.522 0.807 10 0 FCAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCO[C@@H](Cn3cccn3)C2)CC1 ZINC000179283176 488861042 /nfs/dbraw/zinc/86/10/42/488861042.db2.gz NSYNQUCMFLRFNN-QGZVFWFLSA-N 2 2 364.494 0.320 10 0 FCAELP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)c(=O)n2C ZINC000563216081 491228328 /nfs/dbraw/zinc/22/83/28/491228328.db2.gz FLZQBDSCMQMSNS-CABCVRRESA-N 2 2 374.489 0.430 10 0 FCAELP Cn1cnc2c1c(=O)n(CCC[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)c(=O)n2C ZINC000563216081 491228330 /nfs/dbraw/zinc/22/83/30/491228330.db2.gz FLZQBDSCMQMSNS-CABCVRRESA-N 2 2 374.489 0.430 10 0 FCAELP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000329678298 489025601 /nfs/dbraw/zinc/02/56/01/489025601.db2.gz QFQODYWCRGWHON-CQSZACIVSA-N 2 2 359.430 0.198 10 0 FCAELP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000329678298 489025602 /nfs/dbraw/zinc/02/56/02/489025602.db2.gz QFQODYWCRGWHON-CQSZACIVSA-N 2 2 359.430 0.198 10 0 FCAELP O=C1NCCN1CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000289471568 489069371 /nfs/dbraw/zinc/06/93/71/489069371.db2.gz QXSZQYVULBYQSL-IBGZPJMESA-N 2 2 357.502 0.904 10 0 FCAELP O=C1NCCN1CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000289471568 489069372 /nfs/dbraw/zinc/06/93/72/489069372.db2.gz QXSZQYVULBYQSL-IBGZPJMESA-N 2 2 357.502 0.904 10 0 FCAELP CC(C)(C)[C@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1O ZINC000330708547 489135908 /nfs/dbraw/zinc/13/59/08/489135908.db2.gz NQKOJKTYLYVCGK-JKSUJKDBSA-N 2 2 355.523 0.942 10 0 FCAELP CC(C)(C)[C@H]1CC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1O ZINC000330708547 489135909 /nfs/dbraw/zinc/13/59/09/489135909.db2.gz NQKOJKTYLYVCGK-JKSUJKDBSA-N 2 2 355.523 0.942 10 0 FCAELP COC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000369522165 489248436 /nfs/dbraw/zinc/24/84/36/489248436.db2.gz OFSAIDDODCXEOX-LSDHHAIUSA-N 2 2 352.479 0.750 10 0 FCAELP COC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000369522165 489248439 /nfs/dbraw/zinc/24/84/39/489248439.db2.gz OFSAIDDODCXEOX-LSDHHAIUSA-N 2 2 352.479 0.750 10 0 FCAELP O=C(NCCC[NH+]1CCCCC1)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000283395527 489254158 /nfs/dbraw/zinc/25/41/58/489254158.db2.gz HLYWSALFTILFGV-UHFFFAOYSA-N 2 2 370.457 0.876 10 0 FCAELP C[NH+]1CCC(CNC(=O)N[C@H]2CCCNC2=O)([NH+]2CCCCC2)CC1 ZINC000362896243 489403886 /nfs/dbraw/zinc/40/38/86/489403886.db2.gz ISVRLGLTGIQQCD-HNNXBMFYSA-N 2 2 351.495 0.515 10 0 FCAELP CCC(=O)N1CSC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370830198 489408716 /nfs/dbraw/zinc/40/87/16/489408716.db2.gz LOGDGJMAJGCYQN-JKSUJKDBSA-N 2 2 368.547 0.925 10 0 FCAELP CCC(=O)N1CSC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370830198 489408718 /nfs/dbraw/zinc/40/87/18/489408718.db2.gz LOGDGJMAJGCYQN-JKSUJKDBSA-N 2 2 368.547 0.925 10 0 FCAELP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1=O ZINC000371308681 489476165 /nfs/dbraw/zinc/47/61/65/489476165.db2.gz QTNWZYIQSHETNZ-RBSFLKMASA-N 2 2 359.474 0.716 10 0 FCAELP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1=O ZINC000371308681 489476166 /nfs/dbraw/zinc/47/61/66/489476166.db2.gz QTNWZYIQSHETNZ-RBSFLKMASA-N 2 2 359.474 0.716 10 0 FCAELP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1=O ZINC000371308681 489476168 /nfs/dbraw/zinc/47/61/68/489476168.db2.gz QTNWZYIQSHETNZ-RBSFLKMASA-N 2 2 359.474 0.716 10 0 FCAELP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1=O ZINC000371308681 489476169 /nfs/dbraw/zinc/47/61/69/489476169.db2.gz QTNWZYIQSHETNZ-RBSFLKMASA-N 2 2 359.474 0.716 10 0 FCAELP COCCCOC1CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000371408673 489482943 /nfs/dbraw/zinc/48/29/43/489482943.db2.gz IKGKKYKYNXDPMI-HNNXBMFYSA-N 2 2 354.495 0.602 10 0 FCAELP COCCCOC1CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000371408673 489482944 /nfs/dbraw/zinc/48/29/44/489482944.db2.gz IKGKKYKYNXDPMI-HNNXBMFYSA-N 2 2 354.495 0.602 10 0 FCAELP [NH3+][C@@H](CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccccc1 ZINC000415190944 489513435 /nfs/dbraw/zinc/51/34/35/489513435.db2.gz SCQSABLOGPYHFT-INIZCTEOSA-N 2 2 358.446 1.037 10 0 FCAELP O=C(NCCCn1cc[nH+]c1)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000555633677 491260907 /nfs/dbraw/zinc/26/09/07/491260907.db2.gz ZQCSXHXHIHXVJI-MRXNPFEDSA-N 2 2 363.462 0.103 10 0 FCAELP O=C(Nc1ccccc1C[NH+]1CCOCC1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000415636211 489538780 /nfs/dbraw/zinc/53/87/80/489538780.db2.gz XCZLTEQEKMBJJF-CALCHBBNSA-N 2 2 372.469 0.810 10 0 FCAELP O=C(Nc1ccccc1C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415874787 489562931 /nfs/dbraw/zinc/56/29/31/489562931.db2.gz XODSBFVNRBLCDY-MRXNPFEDSA-N 2 2 360.458 0.716 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[N@H+](CCO)[C@H](C)C2)CC1 ZINC000426482293 489570422 /nfs/dbraw/zinc/57/04/22/489570422.db2.gz KJSYGCKXVZSEAO-MOPGFXCFSA-N 2 2 374.529 0.890 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[N@@H+](CCO)[C@H](C)C2)CC1 ZINC000426482293 489570425 /nfs/dbraw/zinc/57/04/25/489570425.db2.gz KJSYGCKXVZSEAO-MOPGFXCFSA-N 2 2 374.529 0.890 10 0 FCAELP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000416297550 489579772 /nfs/dbraw/zinc/57/97/72/489579772.db2.gz PUARCGVJZXMXQA-QZTJIDSGSA-N 2 2 374.529 0.961 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000416297550 489579774 /nfs/dbraw/zinc/57/97/74/489579774.db2.gz PUARCGVJZXMXQA-QZTJIDSGSA-N 2 2 374.529 0.961 10 0 FCAELP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000416297550 489579775 /nfs/dbraw/zinc/57/97/75/489579775.db2.gz PUARCGVJZXMXQA-QZTJIDSGSA-N 2 2 374.529 0.961 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000416297550 489579777 /nfs/dbraw/zinc/57/97/77/489579777.db2.gz PUARCGVJZXMXQA-QZTJIDSGSA-N 2 2 374.529 0.961 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc4c(cn3)nc[nH]c4=O)C2)CC1 ZINC000372421281 489583251 /nfs/dbraw/zinc/58/32/51/489583251.db2.gz JZIWDUAKMHPMQI-LBPRGKRZSA-N 2 2 356.430 0.629 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc4c(cn3)nc[nH]c4=O)C2)CC1 ZINC000372421281 489583253 /nfs/dbraw/zinc/58/32/53/489583253.db2.gz JZIWDUAKMHPMQI-LBPRGKRZSA-N 2 2 356.430 0.629 10 0 FCAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000454989554 489584362 /nfs/dbraw/zinc/58/43/62/489584362.db2.gz JLVWSCLRPLENSE-AWEZNQCLSA-N 2 2 363.462 0.757 10 0 FCAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000454989554 489584364 /nfs/dbraw/zinc/58/43/64/489584364.db2.gz JLVWSCLRPLENSE-AWEZNQCLSA-N 2 2 363.462 0.757 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC[N@@H+]1CCO ZINC000427422421 489607279 /nfs/dbraw/zinc/60/72/79/489607279.db2.gz VINIEIMYBUSTPO-HNNXBMFYSA-N 2 2 362.474 0.254 10 0 FCAELP C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC[N@H+]1CCO ZINC000427422421 489607281 /nfs/dbraw/zinc/60/72/81/489607281.db2.gz VINIEIMYBUSTPO-HNNXBMFYSA-N 2 2 362.474 0.254 10 0 FCAELP CC[NH+]1CCN(CC(=O)N(CC[NH+]2CCOCC2)Cc2ccco2)CC1 ZINC000457032994 489632771 /nfs/dbraw/zinc/63/27/71/489632771.db2.gz WPRCHUJCWYATHQ-UHFFFAOYSA-N 2 2 364.490 0.578 10 0 FCAELP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373176189 489676127 /nfs/dbraw/zinc/67/61/27/489676127.db2.gz KAZLNUQNGUTSNS-HUUCEWRRSA-N 2 2 353.511 0.709 10 0 FCAELP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373176189 489676129 /nfs/dbraw/zinc/67/61/29/489676129.db2.gz KAZLNUQNGUTSNS-HUUCEWRRSA-N 2 2 353.511 0.709 10 0 FCAELP C[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000418806011 489731771 /nfs/dbraw/zinc/73/17/71/489731771.db2.gz OHDRXUSHVONKHF-GFCCVEGCSA-N 2 2 354.401 0.381 10 0 FCAELP C[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000418806011 489731775 /nfs/dbraw/zinc/73/17/75/489731775.db2.gz OHDRXUSHVONKHF-GFCCVEGCSA-N 2 2 354.401 0.381 10 0 FCAELP C[C@H]([NH2+][C@H](CO)c1ccnn1C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459779728 489751770 /nfs/dbraw/zinc/75/17/70/489751770.db2.gz YCTNPGMWGOFSKI-CGTJXYLNSA-N 2 2 371.485 0.822 10 0 FCAELP C[C@H]([NH2+][C@H](CO)c1ccnn1C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459779728 489751774 /nfs/dbraw/zinc/75/17/74/489751774.db2.gz YCTNPGMWGOFSKI-CGTJXYLNSA-N 2 2 371.485 0.822 10 0 FCAELP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000418887023 489775802 /nfs/dbraw/zinc/77/58/02/489775802.db2.gz MEEZUYDENUQXSA-OAHLLOKOSA-N 2 2 357.414 0.181 10 0 FCAELP C[C@@H]1C[N@H+](CCn2nc3ccccn3c2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490648425 489778268 /nfs/dbraw/zinc/77/82/68/489778268.db2.gz LKNCWOHPSLKSTC-IAGOWNOFSA-N 2 2 358.490 0.454 10 0 FCAELP C[C@@H]1C[N@@H+](CCn2nc3ccccn3c2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490648425 489778272 /nfs/dbraw/zinc/77/82/72/489778272.db2.gz LKNCWOHPSLKSTC-IAGOWNOFSA-N 2 2 358.490 0.454 10 0 FCAELP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@@H]1c1ccc(Cl)cc1 ZINC000418906125 489784632 /nfs/dbraw/zinc/78/46/32/489784632.db2.gz KOBZIUYNXRMWNM-ZNMIVQPWSA-N 2 2 350.850 0.761 10 0 FCAELP C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@@H]1c1ccc(Cl)cc1 ZINC000418906125 489784638 /nfs/dbraw/zinc/78/46/38/489784638.db2.gz KOBZIUYNXRMWNM-ZNMIVQPWSA-N 2 2 350.850 0.761 10 0 FCAELP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418916175 489789909 /nfs/dbraw/zinc/78/99/09/489789909.db2.gz WITHLDFNHWNYDC-WKPIXPDZSA-N 2 2 354.401 0.632 10 0 FCAELP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418916175 489789913 /nfs/dbraw/zinc/78/99/13/489789913.db2.gz WITHLDFNHWNYDC-WKPIXPDZSA-N 2 2 354.401 0.632 10 0 FCAELP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418918622 489790736 /nfs/dbraw/zinc/79/07/36/489790736.db2.gz ZQPHDSZICXCWJW-KMUNFCNLSA-N 2 2 354.401 0.680 10 0 FCAELP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418918622 489790742 /nfs/dbraw/zinc/79/07/42/489790742.db2.gz ZQPHDSZICXCWJW-KMUNFCNLSA-N 2 2 354.401 0.680 10 0 FCAELP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418937767 489797290 /nfs/dbraw/zinc/79/72/90/489797290.db2.gz GDBHDFSZOPFAAY-JSGCOSHPSA-N 2 2 350.488 0.337 10 0 FCAELP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418937767 489797293 /nfs/dbraw/zinc/79/72/93/489797293.db2.gz GDBHDFSZOPFAAY-JSGCOSHPSA-N 2 2 350.488 0.337 10 0 FCAELP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000459950906 489802063 /nfs/dbraw/zinc/80/20/63/489802063.db2.gz LSELWCPTVBNFTP-UHFFFAOYSA-N 2 2 366.506 0.111 10 0 FCAELP CCNc1nc(N2C[C@H](C)[N@H+](CCO)C[C@H]2C)nc(NC(C)(C)C)[nH+]1 ZINC000419008639 489815805 /nfs/dbraw/zinc/81/58/05/489815805.db2.gz VZURQXLTDQPLKU-QWHCGFSZSA-N 2 2 351.499 0.827 10 0 FCAELP CCNc1nc(N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)nc(NC(C)(C)C)[nH+]1 ZINC000419008639 489815812 /nfs/dbraw/zinc/81/58/12/489815812.db2.gz VZURQXLTDQPLKU-QWHCGFSZSA-N 2 2 351.499 0.827 10 0 FCAELP COc1cc2[nH+]c(N3C[C@@H](C)[N@H+](CCO)C[C@H]3C)nc(N)c2cc1OC ZINC000419007702 489816165 /nfs/dbraw/zinc/81/61/65/489816165.db2.gz RVLUTMUJVVTWDU-VXGBXAGGSA-N 2 2 361.446 1.121 10 0 FCAELP COc1cc2[nH+]c(N3C[C@@H](C)[N@@H+](CCO)C[C@H]3C)nc(N)c2cc1OC ZINC000419007702 489816168 /nfs/dbraw/zinc/81/61/68/489816168.db2.gz RVLUTMUJVVTWDU-VXGBXAGGSA-N 2 2 361.446 1.121 10 0 FCAELP COCCO[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000376969549 489827861 /nfs/dbraw/zinc/82/78/61/489827861.db2.gz WLANOWBQPXQILG-IAGOWNOFSA-N 2 2 357.495 0.197 10 0 FCAELP COCCO[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000376969549 489827863 /nfs/dbraw/zinc/82/78/63/489827863.db2.gz WLANOWBQPXQILG-IAGOWNOFSA-N 2 2 357.495 0.197 10 0 FCAELP COCCO[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000376969549 489827864 /nfs/dbraw/zinc/82/78/64/489827864.db2.gz WLANOWBQPXQILG-IAGOWNOFSA-N 2 2 357.495 0.197 10 0 FCAELP COCCO[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000376969549 489827866 /nfs/dbraw/zinc/82/78/66/489827866.db2.gz WLANOWBQPXQILG-IAGOWNOFSA-N 2 2 357.495 0.197 10 0 FCAELP COc1ccc([C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)c2[nH+]ccn2C)cc1 ZINC000419065367 489841486 /nfs/dbraw/zinc/84/14/86/489841486.db2.gz JMUHTNISRUXMHI-XJKSGUPXSA-N 2 2 371.441 0.455 10 0 FCAELP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000419073734 489846722 /nfs/dbraw/zinc/84/67/22/489846722.db2.gz LERXVBJEXRHRAB-WQVCFCJDSA-N 2 2 373.432 0.879 10 0 FCAELP COC(=O)C(C)(C)N1CC[NH+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000494400132 489889881 /nfs/dbraw/zinc/88/98/81/489889881.db2.gz WODCLRGNOUOELM-UHFFFAOYSA-N 2 2 368.522 0.545 10 0 FCAELP CC[NH+]1CCC(NC(=O)C[NH+]2CCN(C(C)(C)C(=O)OC)CC2)CC1 ZINC000494416740 489890879 /nfs/dbraw/zinc/89/08/79/489890879.db2.gz VDOJTKHYCVCHPY-UHFFFAOYSA-N 2 2 354.495 0.156 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)CC2)cc[nH+]1 ZINC000420088601 489907488 /nfs/dbraw/zinc/90/74/88/489907488.db2.gz QVWZVARFNVEUJM-OAHLLOKOSA-N 2 2 360.462 0.067 10 0 FCAELP C[NH+]1CCC(CNC(=O)C(=O)NCC2([NH3+])CCC2)([NH+]2CCCCC2)CC1 ZINC000420090624 489908130 /nfs/dbraw/zinc/90/81/30/489908130.db2.gz LSCPNZXIDBCEKW-UHFFFAOYSA-N 3 2 365.522 0.051 10 0 FCAELP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000420130518 489923733 /nfs/dbraw/zinc/92/37/33/489923733.db2.gz QLFNVJDJXSDBQY-QAPCUYQASA-N 2 2 374.485 0.646 10 0 FCAELP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000377575588 489924600 /nfs/dbraw/zinc/92/46/00/489924600.db2.gz QPKWQDWCDALMLX-MRXNPFEDSA-N 2 2 362.522 0.384 10 0 FCAELP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000477057521 489935822 /nfs/dbraw/zinc/93/58/22/489935822.db2.gz NVOBFMJXMUHTQI-IAGOWNOFSA-N 2 2 368.522 0.546 10 0 FCAELP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[N@H+](CCO)C[C@@H]3C)CC2)CC1 ZINC000571176966 491290689 /nfs/dbraw/zinc/29/06/89/491290689.db2.gz GXZRTXOMJCNXIK-KRWDZBQOSA-N 3 2 366.550 0.708 10 0 FCAELP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[N@@H+](CCO)C[C@@H]3C)CC2)CC1 ZINC000571176966 491290692 /nfs/dbraw/zinc/29/06/92/491290692.db2.gz GXZRTXOMJCNXIK-KRWDZBQOSA-N 3 2 366.550 0.708 10 0 FCAELP O=C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)NCCCN1CCCCCC1=O ZINC000420388910 489970729 /nfs/dbraw/zinc/97/07/29/489970729.db2.gz XIVSGYCYFQTDMS-LJQANCHMSA-N 2 2 350.507 0.971 10 0 FCAELP O=C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)NCCCN1CCCCCC1=O ZINC000420388910 489970732 /nfs/dbraw/zinc/97/07/32/489970732.db2.gz XIVSGYCYFQTDMS-LJQANCHMSA-N 2 2 350.507 0.971 10 0 FCAELP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000477653217 489981628 /nfs/dbraw/zinc/98/16/28/489981628.db2.gz OSYAUOGOYVZBJB-CVEARBPZSA-N 2 2 368.522 0.450 10 0 FCAELP CCC[NH+]1CCC(CNC(=O)C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000477729821 489987942 /nfs/dbraw/zinc/98/79/42/489987942.db2.gz ULDNBKYUDJASRT-INIZCTEOSA-N 2 2 368.522 0.404 10 0 FCAELP C[NH+]1CCN(c2cc(CNC(=O)N[C@@H]3CCc4[nH+]c[nH]c4C3)ccn2)CC1 ZINC000378024977 489997425 /nfs/dbraw/zinc/99/74/25/489997425.db2.gz OZXCDAPDRNROJK-OAHLLOKOSA-N 2 2 369.473 0.913 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(F)(F)[C@H](CO)C2)C1 ZINC000463224674 490005699 /nfs/dbraw/zinc/00/56/99/490005699.db2.gz FSYJXRRRKXTJKK-GJZGRUSLSA-N 2 2 363.449 0.409 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(F)(F)[C@H](CO)C2)C1 ZINC000463224674 490005700 /nfs/dbraw/zinc/00/57/00/490005700.db2.gz FSYJXRRRKXTJKK-GJZGRUSLSA-N 2 2 363.449 0.409 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC(F)(F)[C@H](CO)C2)C1 ZINC000463224674 490005702 /nfs/dbraw/zinc/00/57/02/490005702.db2.gz FSYJXRRRKXTJKK-GJZGRUSLSA-N 2 2 363.449 0.409 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC(F)(F)[C@H](CO)C2)C1 ZINC000463224674 490005703 /nfs/dbraw/zinc/00/57/03/490005703.db2.gz FSYJXRRRKXTJKK-GJZGRUSLSA-N 2 2 363.449 0.409 10 0 FCAELP CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420916472 490031738 /nfs/dbraw/zinc/03/17/38/490031738.db2.gz OPKWEDYOMWZUGC-QGZVFWFLSA-N 2 2 353.488 0.642 10 0 FCAELP CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420916472 490031740 /nfs/dbraw/zinc/03/17/40/490031740.db2.gz OPKWEDYOMWZUGC-QGZVFWFLSA-N 2 2 353.488 0.642 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000421503537 490081871 /nfs/dbraw/zinc/08/18/71/490081871.db2.gz GGRISTXNYMZFHO-INIZCTEOSA-N 2 2 361.421 0.637 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000421530377 490086721 /nfs/dbraw/zinc/08/67/21/490086721.db2.gz MTJKYTJQMQCWDS-UHFFFAOYSA-N 2 2 369.469 0.643 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000421530377 490086729 /nfs/dbraw/zinc/08/67/29/490086729.db2.gz MTJKYTJQMQCWDS-UHFFFAOYSA-N 2 2 369.469 0.643 10 0 FCAELP CC(=O)N1CC[NH+](CCOCC[N@H+]2CCN(C(C)=O)C[C@H]2C)[C@H](C)C1 ZINC000532647383 490089651 /nfs/dbraw/zinc/08/96/51/490089651.db2.gz METAOJVEBLXOCO-HZPDHXFCSA-N 2 2 354.495 0.108 10 0 FCAELP CC(=O)N1CC[NH+](CCOCC[N@@H+]2CCN(C(C)=O)C[C@H]2C)[C@H](C)C1 ZINC000532647383 490089654 /nfs/dbraw/zinc/08/96/54/490089654.db2.gz METAOJVEBLXOCO-HZPDHXFCSA-N 2 2 354.495 0.108 10 0 FCAELP COCCc1noc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000532701983 490097861 /nfs/dbraw/zinc/09/78/61/490097861.db2.gz KGFGDIMEGVHYKR-UHFFFAOYSA-N 2 2 365.478 0.635 10 0 FCAELP C[NH+](C)CCN1C(=O)C[C@@H]([NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)C1=O ZINC000545225795 490100738 /nfs/dbraw/zinc/10/07/38/490100738.db2.gz MVBYKNIOKSSEOM-DOMZBBRYSA-N 2 2 365.396 0.701 10 0 FCAELP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000520315461 490132401 /nfs/dbraw/zinc/13/24/01/490132401.db2.gz AEBWOUKOJNOQPF-AWEZNQCLSA-N 2 2 371.441 0.985 10 0 FCAELP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000520315461 490132408 /nfs/dbraw/zinc/13/24/08/490132408.db2.gz AEBWOUKOJNOQPF-AWEZNQCLSA-N 2 2 371.441 0.985 10 0 FCAELP O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000520583375 490165560 /nfs/dbraw/zinc/16/55/60/490165560.db2.gz NXWBQJRJRXKDKJ-GJZGRUSLSA-N 2 2 361.442 0.080 10 0 FCAELP O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000520583375 490165567 /nfs/dbraw/zinc/16/55/67/490165567.db2.gz NXWBQJRJRXKDKJ-GJZGRUSLSA-N 2 2 361.442 0.080 10 0 FCAELP O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000520583374 490165959 /nfs/dbraw/zinc/16/59/59/490165959.db2.gz NXWBQJRJRXKDKJ-CABCVRRESA-N 2 2 361.442 0.080 10 0 FCAELP O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000520583374 490165967 /nfs/dbraw/zinc/16/59/67/490165967.db2.gz NXWBQJRJRXKDKJ-CABCVRRESA-N 2 2 361.442 0.080 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCN3CCOC[C@@H]3C2)CC1 ZINC000520892342 490203192 /nfs/dbraw/zinc/20/31/92/490203192.db2.gz ALLIVNSPHQPJPV-ICSRJNTNSA-N 2 2 372.513 0.908 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCN3CCOC[C@@H]3C2)CC1 ZINC000520892342 490203198 /nfs/dbraw/zinc/20/31/98/490203198.db2.gz ALLIVNSPHQPJPV-ICSRJNTNSA-N 2 2 372.513 0.908 10 0 FCAELP COC(=O)CC1CC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000497728514 490204354 /nfs/dbraw/zinc/20/43/54/490204354.db2.gz WGHVHUAKGOQQSM-KRWDZBQOSA-N 2 2 369.506 0.735 10 0 FCAELP COC(=O)CC1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000497728514 490204361 /nfs/dbraw/zinc/20/43/61/490204361.db2.gz WGHVHUAKGOQQSM-KRWDZBQOSA-N 2 2 369.506 0.735 10 0 FCAELP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[C@@H]3OCC[NH+](C)[C@H]3C2)C[C@H](C)O1 ZINC000408016632 490208714 /nfs/dbraw/zinc/20/87/14/490208714.db2.gz LPYLNYHLHUYZCZ-YVSFHVDLSA-N 2 2 354.495 0.600 10 0 FCAELP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[C@@H]3OCC[NH+](C)[C@H]3C2)C[C@H](C)O1 ZINC000408016632 490208723 /nfs/dbraw/zinc/20/87/23/490208723.db2.gz LPYLNYHLHUYZCZ-YVSFHVDLSA-N 2 2 354.495 0.600 10 0 FCAELP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)C[C@H](C)O1 ZINC000408016632 490208732 /nfs/dbraw/zinc/20/87/32/490208732.db2.gz LPYLNYHLHUYZCZ-YVSFHVDLSA-N 2 2 354.495 0.600 10 0 FCAELP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)C[C@H](C)O1 ZINC000408016632 490208741 /nfs/dbraw/zinc/20/87/41/490208741.db2.gz LPYLNYHLHUYZCZ-YVSFHVDLSA-N 2 2 354.495 0.600 10 0 FCAELP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)C[C@@H](C)O1 ZINC000408016629 490209315 /nfs/dbraw/zinc/20/93/15/490209315.db2.gz LPYLNYHLHUYZCZ-NCOADZHNSA-N 2 2 354.495 0.600 10 0 FCAELP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)C[C@@H](C)O1 ZINC000408016629 490209322 /nfs/dbraw/zinc/20/93/22/490209322.db2.gz LPYLNYHLHUYZCZ-NCOADZHNSA-N 2 2 354.495 0.600 10 0 FCAELP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000556308371 491309073 /nfs/dbraw/zinc/30/90/73/491309073.db2.gz DVOMRGDKEPPSSO-AWEZNQCLSA-N 2 2 372.429 0.140 10 0 FCAELP CC[NH+](CC)CC(=O)N1CC[NH+](CCc2nnnn2-c2ccccc2)CC1 ZINC000507748334 490262223 /nfs/dbraw/zinc/26/22/23/490262223.db2.gz OUPJNETUVZDBAK-UHFFFAOYSA-N 2 2 371.489 0.691 10 0 FCAELP CCOC(=O)CCCNC(=O)C[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000483195587 490292264 /nfs/dbraw/zinc/29/22/64/490292264.db2.gz BYCUTBLGOJSOGW-UHFFFAOYSA-N 2 2 364.446 0.672 10 0 FCAELP O=C(NCC(=O)N1CC[NH2+]CC1)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000521985058 490321031 /nfs/dbraw/zinc/32/10/31/490321031.db2.gz IKSSHTASGHQNJB-UHFFFAOYSA-N 2 2 350.810 0.219 10 0 FCAELP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NCCc2cn(C)c[nH+]2)c1 ZINC000422481234 490349118 /nfs/dbraw/zinc/34/91/18/490349118.db2.gz WAKNKDPCILGZEZ-UHFFFAOYSA-N 2 2 371.485 0.978 10 0 FCAELP CN(CC1CCC(NC(=O)Cn2cc[nH+]c2)CC1)C(=O)Cn1cc[nH+]c1 ZINC000564694815 491321037 /nfs/dbraw/zinc/32/10/37/491321037.db2.gz VTJIMIMWAFPQFE-UHFFFAOYSA-N 2 2 358.446 0.913 10 0 FCAELP CC(C)(C)OC(=O)[C@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000468281301 490380854 /nfs/dbraw/zinc/38/08/54/490380854.db2.gz MZWATYCFZRSZOZ-HNNXBMFYSA-N 2 2 369.506 0.877 10 0 FCAELP CC(C)(C)OC(=O)[C@H]1CC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000468281301 490380863 /nfs/dbraw/zinc/38/08/63/490380863.db2.gz MZWATYCFZRSZOZ-HNNXBMFYSA-N 2 2 369.506 0.877 10 0 FCAELP C[NH+](C)CCN1CCN(C(=O)c2ccccc2C[NH+]2CCOCC2)CC1 ZINC000468313318 490385893 /nfs/dbraw/zinc/38/58/93/490385893.db2.gz SLWQKFIZNWOXGN-UHFFFAOYSA-N 2 2 360.502 0.838 10 0 FCAELP C[NH+]1CCC(CNC(=O)NC[C@]2(C)CCC(=O)N2)([NH+]2CCCCC2)CC1 ZINC000556659048 491325701 /nfs/dbraw/zinc/32/57/01/491325701.db2.gz BWBFTHNPMCXTJG-SFHVURJKSA-N 2 2 365.522 0.905 10 0 FCAELP CCOC(=O)c1ccc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)nc1 ZINC000411423736 490455666 /nfs/dbraw/zinc/45/56/66/490455666.db2.gz DKZNMBGCTYIYBR-UHFFFAOYSA-N 2 2 363.458 0.917 10 0 FCAELP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000571771986 491328259 /nfs/dbraw/zinc/32/82/59/491328259.db2.gz VQATYQMQOVQIJH-CABCVRRESA-N 2 2 362.478 0.695 10 0 FCAELP COCCOCCN1C(=O)C[C@H]([N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000468938689 490468146 /nfs/dbraw/zinc/46/81/46/490468146.db2.gz LTXBHHNVEXLKST-PMPSAXMXSA-N 2 2 364.446 0.557 10 0 FCAELP COCCOCCN1C(=O)C[C@H]([N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000468938689 490468149 /nfs/dbraw/zinc/46/81/49/490468149.db2.gz LTXBHHNVEXLKST-PMPSAXMXSA-N 2 2 364.446 0.557 10 0 FCAELP COC(=O)CC1([NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)CCCC1 ZINC000548427594 490484546 /nfs/dbraw/zinc/48/45/46/490484546.db2.gz ZKEGDQDRQCXVFI-UHFFFAOYSA-N 2 2 355.479 0.679 10 0 FCAELP C[C@]1(c2ccc(C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)cc2)NC(=O)NC1=O ZINC000422883060 490490683 /nfs/dbraw/zinc/49/06/83/490490683.db2.gz UGDOKLINIWSIII-TXPKVOOTSA-N 2 2 358.442 0.598 10 0 FCAELP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422944527 490503172 /nfs/dbraw/zinc/50/31/72/490503172.db2.gz ZWJRCLXKVXZOJK-IAGOWNOFSA-N 2 2 353.488 0.630 10 0 FCAELP CCOC(=O)c1ccc(N2CC([NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)nc1 ZINC000423030406 490524356 /nfs/dbraw/zinc/52/43/56/490524356.db2.gz JOSLFCJWGHILGD-AEFFLSMTSA-N 2 2 360.458 0.804 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](c2nncn2C)C(C)C)C1 ZINC000510929401 490549169 /nfs/dbraw/zinc/54/91/69/490549169.db2.gz FWEBPUPNGBYMSR-NVXWUHKLSA-N 2 2 366.510 0.575 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](c2nncn2C)C(C)C)C1 ZINC000510929401 490549173 /nfs/dbraw/zinc/54/91/73/490549173.db2.gz FWEBPUPNGBYMSR-NVXWUHKLSA-N 2 2 366.510 0.575 10 0 FCAELP C[NH+](C)C1(CNC(=O)C(=O)NCc2[nH+]ccn2CC(F)(F)F)CCC1 ZINC000500783338 490552081 /nfs/dbraw/zinc/55/20/81/490552081.db2.gz JGVJHAVYEMIGOW-UHFFFAOYSA-N 2 2 361.368 0.662 10 0 FCAELP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000500867153 490559571 /nfs/dbraw/zinc/55/95/71/490559571.db2.gz NRPDIDYUWUGGNK-KRWDZBQOSA-N 2 2 368.522 0.546 10 0 FCAELP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000500867153 490559574 /nfs/dbraw/zinc/55/95/74/490559574.db2.gz NRPDIDYUWUGGNK-KRWDZBQOSA-N 2 2 368.522 0.546 10 0 FCAELP CC[C@@H]1C[N@@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CCN1CC(F)F ZINC000536556259 490591823 /nfs/dbraw/zinc/59/18/23/490591823.db2.gz BSTJGUCKDFQMQD-KGLIPLIRSA-N 2 2 360.449 0.727 10 0 FCAELP CC[C@@H]1C[N@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CCN1CC(F)F ZINC000536556259 490591825 /nfs/dbraw/zinc/59/18/25/490591825.db2.gz BSTJGUCKDFQMQD-KGLIPLIRSA-N 2 2 360.449 0.727 10 0 FCAELP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@H]2CCC[C@H]21 ZINC000556886888 491342592 /nfs/dbraw/zinc/34/25/92/491342592.db2.gz PRWDRKQSZGPECB-ZJPYXAASSA-N 3 2 350.507 0.382 10 0 FCAELP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@H]2CCC[C@H]21 ZINC000556886888 491342593 /nfs/dbraw/zinc/34/25/93/491342593.db2.gz PRWDRKQSZGPECB-ZJPYXAASSA-N 3 2 350.507 0.382 10 0 FCAELP C[C@@H]1CCN(S(=O)(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000538658005 490742321 /nfs/dbraw/zinc/74/23/21/490742321.db2.gz XRXORNYVDIIBQL-VPSFDDGASA-N 2 2 356.536 0.816 10 0 FCAELP C[C@@H]1CCN(S(=O)(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000538658005 490742322 /nfs/dbraw/zinc/74/23/22/490742322.db2.gz XRXORNYVDIIBQL-VPSFDDGASA-N 2 2 356.536 0.816 10 0 FCAELP CC(C)CN(C(=O)C[N@H+](C)CCCn1cc[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC000540318740 490817021 /nfs/dbraw/zinc/81/70/21/490817021.db2.gz FZHGQNHLEXBPCY-INIZCTEOSA-N 2 2 370.519 0.877 10 0 FCAELP CC(C)CN(C(=O)C[N@@H+](C)CCCn1cc[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC000540318740 490817024 /nfs/dbraw/zinc/81/70/24/490817024.db2.gz FZHGQNHLEXBPCY-INIZCTEOSA-N 2 2 370.519 0.877 10 0 FCAELP Cc1cn2cc(NC(=O)N3CCN(C(=O)N4CC[NH2+]CC4)CC3)ccc2[nH+]1 ZINC000528679107 490818802 /nfs/dbraw/zinc/81/88/02/490818802.db2.gz NLMSGBFZDISNLB-UHFFFAOYSA-N 2 2 371.445 0.817 10 0 FCAELP C[N@H+](CC(=O)N1CC[NH2+]CC1)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000515385281 490823580 /nfs/dbraw/zinc/82/35/80/490823580.db2.gz ZJBMOJIWEVYLJR-OAHLLOKOSA-N 2 2 368.840 0.948 10 0 FCAELP C[N@@H+](CC(=O)N1CC[NH2+]CC1)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000515385281 490823581 /nfs/dbraw/zinc/82/35/81/490823581.db2.gz ZJBMOJIWEVYLJR-OAHLLOKOSA-N 2 2 368.840 0.948 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)C1 ZINC000528779499 490827606 /nfs/dbraw/zinc/82/76/06/490827606.db2.gz AHJCHPPNDBATMW-WSITWFOVSA-N 2 2 371.547 0.445 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)C1 ZINC000528779499 490827610 /nfs/dbraw/zinc/82/76/10/490827610.db2.gz AHJCHPPNDBATMW-WSITWFOVSA-N 2 2 371.547 0.445 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)C1 ZINC000528779499 490827613 /nfs/dbraw/zinc/82/76/13/490827613.db2.gz AHJCHPPNDBATMW-WSITWFOVSA-N 2 2 371.547 0.445 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)C1 ZINC000528779499 490827617 /nfs/dbraw/zinc/82/76/17/490827617.db2.gz AHJCHPPNDBATMW-WSITWFOVSA-N 2 2 371.547 0.445 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)C1 ZINC000528779495 490827667 /nfs/dbraw/zinc/82/76/67/490827667.db2.gz AHJCHPPNDBATMW-DQXZKJGQSA-N 2 2 371.547 0.445 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)C1 ZINC000528779495 490827669 /nfs/dbraw/zinc/82/76/69/490827669.db2.gz AHJCHPPNDBATMW-DQXZKJGQSA-N 2 2 371.547 0.445 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)C1 ZINC000528779495 490827670 /nfs/dbraw/zinc/82/76/70/490827670.db2.gz AHJCHPPNDBATMW-DQXZKJGQSA-N 2 2 371.547 0.445 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)C1 ZINC000528779495 490827674 /nfs/dbraw/zinc/82/76/74/490827674.db2.gz AHJCHPPNDBATMW-DQXZKJGQSA-N 2 2 371.547 0.445 10 0 FCAELP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000540928412 490840574 /nfs/dbraw/zinc/84/05/74/490840574.db2.gz ICWHYSKPGUKEQR-OAHLLOKOSA-N 2 2 359.474 0.719 10 0 FCAELP C[C@@H]1CN(c2ccc(CNC(=O)NC[C@@H]3COCC[NH2+]3)c[nH+]2)C[C@H](C)O1 ZINC000529286596 490847596 /nfs/dbraw/zinc/84/75/96/490847596.db2.gz MMVHOVFZDPRLIB-IJEWVQPXSA-N 2 2 363.462 0.483 10 0 FCAELP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000529755311 490874811 /nfs/dbraw/zinc/87/48/11/490874811.db2.gz ZARULOXZWXRNLP-FQEVSTJZSA-N 2 2 365.518 0.983 10 0 FCAELP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000529755311 490874812 /nfs/dbraw/zinc/87/48/12/490874812.db2.gz ZARULOXZWXRNLP-FQEVSTJZSA-N 2 2 365.518 0.983 10 0 FCAELP CC[NH+]1CCC(NC(=O)N[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CC1 ZINC000542105922 490885607 /nfs/dbraw/zinc/88/56/07/490885607.db2.gz XRSSRULVAHYYEL-HNNXBMFYSA-N 2 2 362.478 0.695 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]C2CCN(c3cnccn3)CC2)C1=O ZINC000542161100 490887760 /nfs/dbraw/zinc/88/77/60/490887760.db2.gz XWVVGBLQLWVHCK-INIZCTEOSA-N 2 2 369.473 0.960 10 0 FCAELP C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530220783 490893045 /nfs/dbraw/zinc/89/30/45/490893045.db2.gz BEGLLHBWVVWCMG-INIZCTEOSA-N 2 2 351.495 0.420 10 0 FCAELP C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530228314 490894231 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VETNAMLTGXHEPO-YCPHGPKFSA-N 2 2 374.489 0.836 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)NCCNc2cc[nH+]cc2)C1=O ZINC000543055296 490920935 /nfs/dbraw/zinc/92/09/35/490920935.db2.gz XVPZBQOWVCAPBF-OAHLLOKOSA-N 2 2 371.445 0.139 10 0 FCAELP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000518530950 490944284 /nfs/dbraw/zinc/94/42/84/490944284.db2.gz ZBSFACHKWICIJB-OAHLLOKOSA-N 2 2 368.441 0.551 10 0 FCAELP O=C(N1CC[C@H](OCC[NH+]2CCCC2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000543935539 490952376 /nfs/dbraw/zinc/95/23/76/490952376.db2.gz RXWIMNZQCCPBMW-KRWDZBQOSA-N 2 2 351.491 0.955 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1=O ZINC000544029178 490955468 /nfs/dbraw/zinc/95/54/68/490955468.db2.gz SLBBPKMNHHQSDG-OAHLLOKOSA-N 2 2 370.457 0.803 10 0 FCAELP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000519109815 490961786 /nfs/dbraw/zinc/96/17/86/490961786.db2.gz NPAZYDKOQSZCSA-QGZVFWFLSA-N 3 2 356.580 0.546 10 0 FCAELP COc1cccc(N2CCC[C@@H](NC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])C2)c1 ZINC000519591612 490977838 /nfs/dbraw/zinc/97/78/38/490977838.db2.gz CKKWGZZIYCVLGF-NVXWUHKLSA-N 2 2 361.490 0.948 10 0 FCAELP COc1cccc(N2CCC[C@@H](NC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])C2)c1 ZINC000519591612 490977840 /nfs/dbraw/zinc/97/78/40/490977840.db2.gz CKKWGZZIYCVLGF-NVXWUHKLSA-N 2 2 361.490 0.948 10 0 FCAELP COC(=O)CCN1CCC[C@H]([N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000595325311 491919316 /nfs/dbraw/zinc/91/93/16/491919316.db2.gz FSDFMOSWJGYXSQ-CVEARBPZSA-N 2 2 353.463 0.195 10 0 FCAELP COC(=O)CCN1CCC[C@H]([N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000595325311 491919318 /nfs/dbraw/zinc/91/93/18/491919318.db2.gz FSDFMOSWJGYXSQ-CVEARBPZSA-N 2 2 353.463 0.195 10 0 FCAELP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1 ZINC000595620962 491945673 /nfs/dbraw/zinc/94/56/73/491945673.db2.gz JTUUCCLTQCXZHB-FRRDWIJNSA-N 2 2 356.385 0.599 10 0 FCAELP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1 ZINC000595620962 491945675 /nfs/dbraw/zinc/94/56/75/491945675.db2.gz JTUUCCLTQCXZHB-FRRDWIJNSA-N 2 2 356.385 0.599 10 0 FCAELP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1 ZINC000595620962 491945677 /nfs/dbraw/zinc/94/56/77/491945677.db2.gz JTUUCCLTQCXZHB-FRRDWIJNSA-N 2 2 356.385 0.599 10 0 FCAELP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1 ZINC000595620962 491945680 /nfs/dbraw/zinc/94/56/80/491945680.db2.gz JTUUCCLTQCXZHB-FRRDWIJNSA-N 2 2 356.385 0.599 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC000572461061 491371491 /nfs/dbraw/zinc/37/14/91/491371491.db2.gz SACDPSROUWOCQW-UHFFFAOYSA-N 2 2 373.501 0.981 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CCC[N@H+](C(C)C)CC2)CC1 ZINC000572461061 491371493 /nfs/dbraw/zinc/37/14/93/491371493.db2.gz SACDPSROUWOCQW-UHFFFAOYSA-N 2 2 373.501 0.981 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]C[C@H](O)COc2ccccc2)C1=O ZINC000565359289 491371528 /nfs/dbraw/zinc/37/15/28/491371528.db2.gz SPDMGMUHHYVPHG-DOTOQJQBSA-N 2 2 358.442 0.941 10 0 FCAELP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000557613800 491387491 /nfs/dbraw/zinc/38/74/91/491387491.db2.gz OPMOOAKNHAFNKV-LLVKDONJSA-N 2 2 363.384 0.908 10 0 FCAELP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCS(=O)(=O)[C@@H](C)C3)CC2)CC1 ZINC000557670556 491390363 /nfs/dbraw/zinc/39/03/63/491390363.db2.gz YNITZDMAYVQRPZ-HNNXBMFYSA-N 2 2 371.547 0.828 10 0 FCAELP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000558228876 491421356 /nfs/dbraw/zinc/42/13/56/491421356.db2.gz PJAHSBVEMFFYHX-ZACQAIPSSA-N 2 2 368.522 0.593 10 0 FCAELP CC[NH+](C)C[C@@H](O)C[NH+]1CCN(C[C@@H](O)C[N@@H+](C)CC)[C@@H]2CCCC[C@H]21 ZINC000574337085 491489848 /nfs/dbraw/zinc/48/98/48/491489848.db2.gz MUCWXSXWECTMDQ-IYWMVGAKSA-N 3 2 370.582 0.540 10 0 FCAELP CC[NH+](C)C[C@@H](O)C[NH+]1CCN(C[C@@H](O)C[N@H+](C)CC)[C@@H]2CCCC[C@H]21 ZINC000574337085 491489849 /nfs/dbraw/zinc/48/98/49/491489849.db2.gz MUCWXSXWECTMDQ-IYWMVGAKSA-N 3 2 370.582 0.540 10 0 FCAELP CC[NH+](C)C[C@H](O)CN1CC[N@H+](C[C@H](O)C[NH+](C)CC)[C@@H]2CCCC[C@H]21 ZINC000574337085 491489851 /nfs/dbraw/zinc/48/98/51/491489851.db2.gz MUCWXSXWECTMDQ-IYWMVGAKSA-N 3 2 370.582 0.540 10 0 FCAELP CC[NH+](C)C[C@H](O)CN1CC[N@@H+](C[C@H](O)C[NH+](C)CC)[C@@H]2CCCC[C@H]21 ZINC000574337085 491489853 /nfs/dbraw/zinc/48/98/53/491489853.db2.gz MUCWXSXWECTMDQ-IYWMVGAKSA-N 3 2 370.582 0.540 10 0 FCAELP CC[NH+](C)C[C@H](O)C[NH+]1CCN(C[C@H](O)C[N@@H+](C)CC)[C@@H]2CCCC[C@H]21 ZINC000574337085 491489855 /nfs/dbraw/zinc/48/98/55/491489855.db2.gz MUCWXSXWECTMDQ-IYWMVGAKSA-N 3 2 370.582 0.540 10 0 FCAELP CC[NH+](C)C[C@H](O)C[NH+]1CCN(C[C@H](O)C[N@H+](C)CC)[C@@H]2CCCC[C@H]21 ZINC000574337085 491489856 /nfs/dbraw/zinc/48/98/56/491489856.db2.gz MUCWXSXWECTMDQ-IYWMVGAKSA-N 3 2 370.582 0.540 10 0 FCAELP CC[NH+](C)C[C@@H](O)CN1CC[N@H+](C[C@@H](O)C[NH+](C)CC)[C@@H]2CCCC[C@H]21 ZINC000574337085 491489858 /nfs/dbraw/zinc/48/98/58/491489858.db2.gz MUCWXSXWECTMDQ-IYWMVGAKSA-N 3 2 370.582 0.540 10 0 FCAELP CC[NH+](C)C[C@@H](O)CN1CC[N@@H+](C[C@@H](O)C[NH+](C)CC)[C@@H]2CCCC[C@H]21 ZINC000574337085 491489860 /nfs/dbraw/zinc/48/98/60/491489860.db2.gz MUCWXSXWECTMDQ-IYWMVGAKSA-N 3 2 370.582 0.540 10 0 FCAELP Cc1ccc([C@H](CNC(=O)Cn2cc[nH+]c2)NC(=O)Cn2cc[nH+]c2)o1 ZINC000559802613 491500714 /nfs/dbraw/zinc/50/07/14/491500714.db2.gz PCLJDMLBRYARRS-AWEZNQCLSA-N 2 2 356.386 0.655 10 0 FCAELP O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000559838255 491503516 /nfs/dbraw/zinc/50/35/16/491503516.db2.gz WJZJZGVAYUYHEH-UHFFFAOYSA-N 2 2 363.462 0.344 10 0 FCAELP O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000559838255 491503519 /nfs/dbraw/zinc/50/35/19/491503519.db2.gz WJZJZGVAYUYHEH-UHFFFAOYSA-N 2 2 363.462 0.344 10 0 FCAELP COCC[N@@H+]1CCCN(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC1 ZINC000574564353 491505271 /nfs/dbraw/zinc/50/52/71/491505271.db2.gz YJBJLYIYBCIGIS-UHFFFAOYSA-N 2 2 362.474 0.708 10 0 FCAELP COCC[N@H+]1CCCN(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC1 ZINC000574564353 491505274 /nfs/dbraw/zinc/50/52/74/491505274.db2.gz YJBJLYIYBCIGIS-UHFFFAOYSA-N 2 2 362.474 0.708 10 0 FCAELP COC(=O)CC[C@H]([NH3+])C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000567779419 491529062 /nfs/dbraw/zinc/52/90/62/491529062.db2.gz SCYFCDMXNWVAAK-JSGCOSHPSA-N 2 2 350.419 0.203 10 0 FCAELP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2ccccc2CC[NH3+])CC1 ZINC000575068040 491537475 /nfs/dbraw/zinc/53/74/75/491537475.db2.gz PZIQSNPYULIQAN-UHFFFAOYSA-N 2 2 365.441 0.827 10 0 FCAELP O=C(NCc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000560655510 491550099 /nfs/dbraw/zinc/55/00/99/491550099.db2.gz UYRGJIPQBOUGAO-JTQLQIEISA-N 2 2 359.352 0.415 10 0 FCAELP O=C(NCc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000560655510 491550100 /nfs/dbraw/zinc/55/01/00/491550100.db2.gz UYRGJIPQBOUGAO-JTQLQIEISA-N 2 2 359.352 0.415 10 0 FCAELP COCCCNC(=O)[C@H](C)[NH+]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000575809600 491562087 /nfs/dbraw/zinc/56/20/87/491562087.db2.gz ABRWNGADRZKFMB-KRWDZBQOSA-N 2 2 374.529 0.991 10 0 FCAELP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)Cn2cc[nH+]c2)c1 ZINC000575848202 491564795 /nfs/dbraw/zinc/56/47/95/491564795.db2.gz WGFMOQFDBKCSBJ-UHFFFAOYSA-N 2 2 351.432 0.362 10 0 FCAELP C[NH+]1CCC2(CCCN2C(=O)C(=O)NC[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000673615428 493350871 /nfs/dbraw/zinc/35/08/71/493350871.db2.gz DXDXUYVPJPAOSQ-OAHLLOKOSA-N 2 2 359.474 0.964 10 0 FCAELP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000576036372 491577399 /nfs/dbraw/zinc/57/73/99/491577399.db2.gz RHHYVCMPXOSKEL-QMYADUOMSA-N 2 2 367.490 0.615 10 0 FCAELP COC[C@@]1(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC[NH2+]C1 ZINC000568507853 491581172 /nfs/dbraw/zinc/58/11/72/491581172.db2.gz KILAPWLZGUEVSP-GOSISDBHSA-N 3 2 352.523 0.679 10 0 FCAELP CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)[NH+]1CCOCC1 ZINC000576135208 491584687 /nfs/dbraw/zinc/58/46/87/491584687.db2.gz UNEUCUANJDULQP-APWZRJJASA-N 2 2 366.506 0.062 10 0 FCAELP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000584399241 491586027 /nfs/dbraw/zinc/58/60/27/491586027.db2.gz JCPZNQLEQAFKBJ-HZPDHXFCSA-N 2 2 361.490 0.361 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000584399241 491586031 /nfs/dbraw/zinc/58/60/31/491586031.db2.gz JCPZNQLEQAFKBJ-HZPDHXFCSA-N 2 2 361.490 0.361 10 0 FCAELP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)CC1 ZINC000568670997 491599426 /nfs/dbraw/zinc/59/94/26/491599426.db2.gz MEWBCFPRYFUZBQ-RCCFBDPRSA-N 2 2 353.507 0.839 10 0 FCAELP CC[NH+]1CCC(NC(=O)C[N@H+]2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)CC1 ZINC000568670997 491599427 /nfs/dbraw/zinc/59/94/27/491599427.db2.gz MEWBCFPRYFUZBQ-RCCFBDPRSA-N 2 2 353.507 0.839 10 0 FCAELP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000576539664 491623668 /nfs/dbraw/zinc/62/36/68/491623668.db2.gz YLHRMOCAPYSARH-HOTGVXAUSA-N 2 2 354.495 0.156 10 0 FCAELP C[C@@]1(F)C[NH2+]CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000576807233 491646559 /nfs/dbraw/zinc/64/65/59/491646559.db2.gz BJDIBQFXAPXXFI-HZPDHXFCSA-N 2 2 360.499 0.537 10 0 FCAELP C[C@@H]1C[N@H+](CCCNc2nc(NCCO)c3ccccc3[nH+]2)CCCO1 ZINC000577810567 491653964 /nfs/dbraw/zinc/65/39/64/491653964.db2.gz HDRRMUXDYBJPSM-OAHLLOKOSA-N 2 2 359.474 0.791 10 0 FCAELP C[C@@H]1C[N@@H+](CCCNc2nc(NCCO)c3ccccc3[nH+]2)CCCO1 ZINC000577810567 491653966 /nfs/dbraw/zinc/65/39/66/491653966.db2.gz HDRRMUXDYBJPSM-OAHLLOKOSA-N 2 2 359.474 0.791 10 0 FCAELP CCOC(=O)c1sc([C@H](C)[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)nc1C ZINC000578049957 491668617 /nfs/dbraw/zinc/66/86/17/491668617.db2.gz KHKXHEVERBFUAC-KBPBESRZSA-N 2 2 370.519 0.887 10 0 FCAELP Cn1c2ccc(Cl)cc2nc1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000578232789 491672811 /nfs/dbraw/zinc/67/28/11/491672811.db2.gz IIOUTVAWSPIDED-CQSZACIVSA-N 2 2 351.882 0.925 10 0 FCAELP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000578442094 491677362 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CC1(C)CN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)CC[N@@H+]1CCO ZINC000641898002 492321459 /nfs/dbraw/zinc/32/14/59/492321459.db2.gz CEDZWJBXMOSDOH-UHFFFAOYSA-N 2 2 367.538 0.301 10 0 FCAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000627501229 492324606 /nfs/dbraw/zinc/32/46/06/492324606.db2.gz BGRGLLGJQOAIOQ-GOEBONIOSA-N 2 2 355.442 0.756 10 0 FCAELP Cc1cc(N2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+][C@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000627501619 492325818 /nfs/dbraw/zinc/32/58/18/492325818.db2.gz RQRDMLWIKJRJSW-LSDHHAIUSA-N 2 2 374.489 0.424 10 0 FCAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000627502707 492325945 /nfs/dbraw/zinc/32/59/45/492325945.db2.gz JMMHHCGCVPNOAL-DOTOQJQBSA-N 2 2 360.458 0.076 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000654650380 492330437 /nfs/dbraw/zinc/33/04/37/492330437.db2.gz WJGCGSMMPNALGK-ZACQAIPSSA-N 2 2 356.511 0.848 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000654650380 492330443 /nfs/dbraw/zinc/33/04/43/492330443.db2.gz WJGCGSMMPNALGK-ZACQAIPSSA-N 2 2 356.511 0.848 10 0 FCAELP C[C@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654653832 492333465 /nfs/dbraw/zinc/33/34/65/492333465.db2.gz MKCZMDJPPUXBGN-HMDCTGQHSA-N 2 2 356.511 0.581 10 0 FCAELP C[C@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654653832 492333468 /nfs/dbraw/zinc/33/34/68/492333468.db2.gz MKCZMDJPPUXBGN-HMDCTGQHSA-N 2 2 356.511 0.581 10 0 FCAELP C[C@H](CNC(=O)N1CC[NH+](C[C@H](C)O)C[C@@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654653832 492333471 /nfs/dbraw/zinc/33/34/71/492333471.db2.gz MKCZMDJPPUXBGN-HMDCTGQHSA-N 2 2 356.511 0.581 10 0 FCAELP C[C@H](CNC(=O)N1CC[NH+](C[C@H](C)O)C[C@@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654653832 492333473 /nfs/dbraw/zinc/33/34/73/492333473.db2.gz MKCZMDJPPUXBGN-HMDCTGQHSA-N 2 2 356.511 0.581 10 0 FCAELP C[C@@H](CNC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654656249 492335525 /nfs/dbraw/zinc/33/55/25/492335525.db2.gz ORRRMUWHQKFKJG-JZAWBGDQSA-N 2 2 356.511 0.581 10 0 FCAELP C[C@@H](CNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654656249 492335527 /nfs/dbraw/zinc/33/55/27/492335527.db2.gz ORRRMUWHQKFKJG-JZAWBGDQSA-N 2 2 356.511 0.581 10 0 FCAELP C[C@@H](CNC(=O)N1C[C@@H](C)[NH+](CCO)C[C@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654656249 492335529 /nfs/dbraw/zinc/33/55/29/492335529.db2.gz ORRRMUWHQKFKJG-JZAWBGDQSA-N 2 2 356.511 0.581 10 0 FCAELP C[C@@H](CNC(=O)N1C[C@@H](C)[NH+](CCO)C[C@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654656249 492335532 /nfs/dbraw/zinc/33/55/32/492335532.db2.gz ORRRMUWHQKFKJG-JZAWBGDQSA-N 2 2 356.511 0.581 10 0 FCAELP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654660899 492335946 /nfs/dbraw/zinc/33/59/46/492335946.db2.gz KICSQBMVVKSNMK-ZACQAIPSSA-N 2 2 365.522 0.665 10 0 FCAELP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000647678939 492343930 /nfs/dbraw/zinc/34/39/30/492343930.db2.gz GJEUWQPALDZDLM-UYAOXDASSA-N 2 2 372.513 0.691 10 0 FCAELP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000647678939 492343934 /nfs/dbraw/zinc/34/39/34/492343934.db2.gz GJEUWQPALDZDLM-UYAOXDASSA-N 2 2 372.513 0.691 10 0 FCAELP C[C@](O)(C[C@H](O)C[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)C1CC1 ZINC000634700283 492360286 /nfs/dbraw/zinc/36/02/86/492360286.db2.gz WRDMIPYSDXZJHQ-HKUYNNGSSA-N 2 2 363.506 0.490 10 0 FCAELP NS(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647899345 492379610 /nfs/dbraw/zinc/37/96/10/492379610.db2.gz HCPBVHXVEACOOR-BBRMVZONSA-N 2 2 366.487 0.737 10 0 FCAELP NS(=O)(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647899345 492379614 /nfs/dbraw/zinc/37/96/14/492379614.db2.gz HCPBVHXVEACOOR-BBRMVZONSA-N 2 2 366.487 0.737 10 0 FCAELP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)N1CCN(c2cnccn2)CC1 ZINC000647903694 492380731 /nfs/dbraw/zinc/38/07/31/492380731.db2.gz OJICSDSYZFWEHP-IAGOWNOFSA-N 2 2 358.490 0.589 10 0 FCAELP O=C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)N1CCN(c2cnccn2)CC1 ZINC000647903694 492380736 /nfs/dbraw/zinc/38/07/36/492380736.db2.gz OJICSDSYZFWEHP-IAGOWNOFSA-N 2 2 358.490 0.589 10 0 FCAELP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000642913074 492402569 /nfs/dbraw/zinc/40/25/69/492402569.db2.gz KEMJOLUXJBFJGG-BZUAXINKSA-N 2 2 352.479 0.086 10 0 FCAELP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NC1CCN(c3cccc[nH+]3)CC1)C2 ZINC000621843864 492424720 /nfs/dbraw/zinc/42/47/20/492424720.db2.gz MPAXDBZTLNHGNH-LIRRHRJNSA-N 2 2 357.458 0.506 10 0 FCAELP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)NCc1[nH+]ccn1CC(F)(F)F)C2 ZINC000621844896 492425231 /nfs/dbraw/zinc/42/52/31/492425231.db2.gz ZCJRBWFUJJRWTC-QMTHXVAHSA-N 2 2 359.352 0.401 10 0 FCAELP C[C@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487609 492446621 /nfs/dbraw/zinc/44/66/21/492446621.db2.gz IUFUBYDXLJFFGE-KBXIAJHMSA-N 2 2 350.467 0.258 10 0 FCAELP C[C@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487609 492446625 /nfs/dbraw/zinc/44/66/25/492446625.db2.gz IUFUBYDXLJFFGE-KBXIAJHMSA-N 2 2 350.467 0.258 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c1 ZINC000643418201 492453452 /nfs/dbraw/zinc/45/34/52/492453452.db2.gz BZPXNDGQSGEGIS-SFHVURJKSA-N 2 2 369.469 0.812 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)c1 ZINC000643418201 492453454 /nfs/dbraw/zinc/45/34/54/492453454.db2.gz BZPXNDGQSGEGIS-SFHVURJKSA-N 2 2 369.469 0.812 10 0 FCAELP Cn1ccnc1C[NH+]1CCC(C(=O)NC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000622124725 492457204 /nfs/dbraw/zinc/45/72/04/492457204.db2.gz VQTMZKHNKSARRC-UHFFFAOYSA-N 2 2 363.506 0.859 10 0 FCAELP C[NH+](C)Cc1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)cn1 ZINC000622435953 492474264 /nfs/dbraw/zinc/47/42/64/492474264.db2.gz DFCWRCDZTNPOGD-SFHVURJKSA-N 2 2 362.474 0.707 10 0 FCAELP CC[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC[C@@H]1[NH3+] ZINC000643509200 492484427 /nfs/dbraw/zinc/48/44/27/492484427.db2.gz FMHFNHKCSUGCRZ-ZACQAIPSSA-N 2 2 366.506 0.286 10 0 FCAELP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000643509213 492484629 /nfs/dbraw/zinc/48/46/29/492484629.db2.gz IJDVOIKKLMOYCC-GVDBMIGSSA-N 2 2 366.506 0.286 10 0 FCAELP [NH3+]C[C@H](NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C(F)(F)F ZINC000655917909 492488588 /nfs/dbraw/zinc/48/85/88/492488588.db2.gz ZEIUHNBZKVYBTM-NSHDSACASA-N 2 2 350.345 0.226 10 0 FCAELP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000649071547 492488728 /nfs/dbraw/zinc/48/87/28/492488728.db2.gz MOORRDMCUVJNAM-GOEBONIOSA-N 2 2 352.479 0.208 10 0 FCAELP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000649071547 492488732 /nfs/dbraw/zinc/48/87/32/492488732.db2.gz MOORRDMCUVJNAM-GOEBONIOSA-N 2 2 352.479 0.208 10 0 FCAELP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000649076236 492492137 /nfs/dbraw/zinc/49/21/37/492492137.db2.gz SOKNNVDZHXKCDM-MRXNPFEDSA-N 2 2 374.485 0.711 10 0 FCAELP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000655955034 492497057 /nfs/dbraw/zinc/49/70/57/492497057.db2.gz WBBNFOZBDYQZNC-KFWWJZLASA-N 2 2 362.474 0.958 10 0 FCAELP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000655955034 492497062 /nfs/dbraw/zinc/49/70/62/492497062.db2.gz WBBNFOZBDYQZNC-KFWWJZLASA-N 2 2 362.474 0.958 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCCC1CC[NH2+]CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656024800 492520467 /nfs/dbraw/zinc/52/04/67/492520467.db2.gz VYOWTZDNEUNNRG-SOUVJXGZSA-N 2 2 354.495 0.106 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCCC1CC[NH2+]CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656024800 492520471 /nfs/dbraw/zinc/52/04/71/492520471.db2.gz VYOWTZDNEUNNRG-SOUVJXGZSA-N 2 2 354.495 0.106 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656024854 492520703 /nfs/dbraw/zinc/52/07/03/492520703.db2.gz SPOMJQGPWTUUPU-SOUVJXGZSA-N 2 2 354.495 0.106 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656024854 492520707 /nfs/dbraw/zinc/52/07/07/492520707.db2.gz SPOMJQGPWTUUPU-SOUVJXGZSA-N 2 2 354.495 0.106 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656041300 492522129 /nfs/dbraw/zinc/52/21/29/492522129.db2.gz PIWMVUZEVDZVNW-LEOABGAYSA-N 2 2 354.495 0.044 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656041300 492522132 /nfs/dbraw/zinc/52/21/32/492522132.db2.gz PIWMVUZEVDZVNW-LEOABGAYSA-N 2 2 354.495 0.044 10 0 FCAELP C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656039774 492522709 /nfs/dbraw/zinc/52/27/09/492522709.db2.gz GKQJEXZDLBZRQT-OWYFMNJBSA-N 2 2 354.495 0.329 10 0 FCAELP C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656039774 492522715 /nfs/dbraw/zinc/52/27/15/492522715.db2.gz GKQJEXZDLBZRQT-OWYFMNJBSA-N 2 2 354.495 0.329 10 0 FCAELP C[NH2+]CCC1CCN(C(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656039496 492522955 /nfs/dbraw/zinc/52/29/55/492522955.db2.gz BJPPVWLGWWPSSH-HRCADAONSA-N 2 2 368.522 0.448 10 0 FCAELP C[NH2+]CCC1CCN(C(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656039496 492522959 /nfs/dbraw/zinc/52/29/59/492522959.db2.gz BJPPVWLGWWPSSH-HRCADAONSA-N 2 2 368.522 0.448 10 0 FCAELP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000656060563 492525178 /nfs/dbraw/zinc/52/51/78/492525178.db2.gz FNOMMAJFXKTRCZ-IYBDPMFKSA-N 2 2 364.515 0.849 10 0 FCAELP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656062619 492526353 /nfs/dbraw/zinc/52/63/53/492526353.db2.gz KRWCNOZXJUVJSS-NXOAAHMSSA-N 2 2 368.522 0.543 10 0 FCAELP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656062619 492526356 /nfs/dbraw/zinc/52/63/56/492526356.db2.gz KRWCNOZXJUVJSS-NXOAAHMSSA-N 2 2 368.522 0.543 10 0 FCAELP C[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656063823 492527094 /nfs/dbraw/zinc/52/70/94/492527094.db2.gz MHWLYCBSMIDGCZ-NCOADZHNSA-N 2 2 368.522 0.401 10 0 FCAELP C[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656063823 492527096 /nfs/dbraw/zinc/52/70/96/492527096.db2.gz MHWLYCBSMIDGCZ-NCOADZHNSA-N 2 2 368.522 0.401 10 0 FCAELP C[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[NH+](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656063823 492527098 /nfs/dbraw/zinc/52/70/98/492527098.db2.gz MHWLYCBSMIDGCZ-NCOADZHNSA-N 2 2 368.522 0.401 10 0 FCAELP C[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[NH+](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656063823 492527100 /nfs/dbraw/zinc/52/71/00/492527100.db2.gz MHWLYCBSMIDGCZ-NCOADZHNSA-N 2 2 368.522 0.401 10 0 FCAELP C[C@@H](CC(=O)N[C@@H]1Cc2c[nH+]cn2C1)CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623260852 492534878 /nfs/dbraw/zinc/53/48/78/492534878.db2.gz SQQJXTYZSUIINI-BTTYYORXSA-N 2 2 356.430 0.278 10 0 FCAELP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)C1 ZINC000656086723 492548255 /nfs/dbraw/zinc/54/82/55/492548255.db2.gz IHXKXYBHHRWALM-CEXWTWQISA-N 2 2 372.513 0.828 10 0 FCAELP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)C1 ZINC000656086723 492548257 /nfs/dbraw/zinc/54/82/57/492548257.db2.gz IHXKXYBHHRWALM-CEXWTWQISA-N 2 2 372.513 0.828 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C2CC2)C2CC[NH2+]CC2)C1 ZINC000649408968 492551118 /nfs/dbraw/zinc/55/11/18/492551118.db2.gz OZAKJJHVXGDMMJ-SFHVURJKSA-N 3 2 352.523 0.676 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C2CC2)C2CC[NH2+]CC2)C1 ZINC000649408968 492551122 /nfs/dbraw/zinc/55/11/22/492551122.db2.gz OZAKJJHVXGDMMJ-SFHVURJKSA-N 3 2 352.523 0.676 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C2CC2)C2CC[NH2+]CC2)C1 ZINC000649408968 492551126 /nfs/dbraw/zinc/55/11/26/492551126.db2.gz OZAKJJHVXGDMMJ-SFHVURJKSA-N 3 2 352.523 0.676 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C2CC2)C2CC[NH2+]CC2)C1 ZINC000649408968 492551130 /nfs/dbraw/zinc/55/11/30/492551130.db2.gz OZAKJJHVXGDMMJ-SFHVURJKSA-N 3 2 352.523 0.676 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)C1 ZINC000649418772 492553850 /nfs/dbraw/zinc/55/38/50/492553850.db2.gz DVMGRNXGPGECAH-GUDVDZBRSA-N 3 2 366.550 0.923 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)C1 ZINC000649418772 492553854 /nfs/dbraw/zinc/55/38/54/492553854.db2.gz DVMGRNXGPGECAH-GUDVDZBRSA-N 3 2 366.550 0.923 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)C1 ZINC000649418772 492553858 /nfs/dbraw/zinc/55/38/58/492553858.db2.gz DVMGRNXGPGECAH-GUDVDZBRSA-N 3 2 366.550 0.923 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)C1 ZINC000649418772 492553859 /nfs/dbraw/zinc/55/38/59/492553859.db2.gz DVMGRNXGPGECAH-GUDVDZBRSA-N 3 2 366.550 0.923 10 0 FCAELP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H]3COCC[N@@H+]3C)CC2)CC1 ZINC000628923167 492564970 /nfs/dbraw/zinc/56/49/70/492564970.db2.gz PKJFESIDZDVBOH-SFHVURJKSA-N 3 2 352.523 0.630 10 0 FCAELP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H]3COCC[N@H+]3C)CC2)CC1 ZINC000628923167 492564971 /nfs/dbraw/zinc/56/49/71/492564971.db2.gz PKJFESIDZDVBOH-SFHVURJKSA-N 3 2 352.523 0.630 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCC[NH+]1CCC(C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656295837 492573805 /nfs/dbraw/zinc/57/38/05/492573805.db2.gz NTUAYBWUKKJKJC-YESZJQIVSA-N 2 2 368.522 0.448 10 0 FCAELP C[C@@H](CNC(=O)C(=O)NCC[NH+]1CCC(C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656295837 492573807 /nfs/dbraw/zinc/57/38/07/492573807.db2.gz NTUAYBWUKKJKJC-YESZJQIVSA-N 2 2 368.522 0.448 10 0 FCAELP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656300909 492578517 /nfs/dbraw/zinc/57/85/17/492578517.db2.gz FAWCDEBYJNKOEQ-OAGGEKHMSA-N 2 2 368.522 0.448 10 0 FCAELP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656300909 492578521 /nfs/dbraw/zinc/57/85/21/492578521.db2.gz FAWCDEBYJNKOEQ-OAGGEKHMSA-N 2 2 368.522 0.448 10 0 FCAELP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656302978 492578750 /nfs/dbraw/zinc/57/87/50/492578750.db2.gz OBLMNYDSGSKOQZ-XUWVNRHRSA-N 2 2 356.511 0.447 10 0 FCAELP C[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656336991 492601058 /nfs/dbraw/zinc/60/10/58/492601058.db2.gz FVQQXUKXLRROSZ-WCXIOVBPSA-N 2 2 368.522 0.448 10 0 FCAELP C[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656336991 492601060 /nfs/dbraw/zinc/60/10/60/492601060.db2.gz FVQQXUKXLRROSZ-WCXIOVBPSA-N 2 2 368.522 0.448 10 0 FCAELP C[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH+](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656336991 492601063 /nfs/dbraw/zinc/60/10/63/492601063.db2.gz FVQQXUKXLRROSZ-WCXIOVBPSA-N 2 2 368.522 0.448 10 0 FCAELP C[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH+](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656336991 492601065 /nfs/dbraw/zinc/60/10/65/492601065.db2.gz FVQQXUKXLRROSZ-WCXIOVBPSA-N 2 2 368.522 0.448 10 0 FCAELP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000623873506 492603726 /nfs/dbraw/zinc/60/37/26/492603726.db2.gz JNJJKUUTJNCKHC-ZWKOTPCHSA-N 2 2 362.474 0.383 10 0 FCAELP C[N@H+]1CCOC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000623873506 492603730 /nfs/dbraw/zinc/60/37/30/492603730.db2.gz JNJJKUUTJNCKHC-ZWKOTPCHSA-N 2 2 362.474 0.383 10 0 FCAELP C[NH+]1CCOC[C@@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000623873506 492603733 /nfs/dbraw/zinc/60/37/33/492603733.db2.gz JNJJKUUTJNCKHC-ZWKOTPCHSA-N 2 2 362.474 0.383 10 0 FCAELP C[NH+]1CCOC[C@@H]1CNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000623873506 492603737 /nfs/dbraw/zinc/60/37/37/492603737.db2.gz JNJJKUUTJNCKHC-ZWKOTPCHSA-N 2 2 362.474 0.383 10 0 FCAELP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656342990 492604768 /nfs/dbraw/zinc/60/47/68/492604768.db2.gz IYHBJHTVKHRDDJ-NXOAAHMSSA-N 2 2 368.522 0.448 10 0 FCAELP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656342990 492604772 /nfs/dbraw/zinc/60/47/72/492604772.db2.gz IYHBJHTVKHRDDJ-NXOAAHMSSA-N 2 2 368.522 0.448 10 0 FCAELP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656342990 492604776 /nfs/dbraw/zinc/60/47/76/492604776.db2.gz IYHBJHTVKHRDDJ-NXOAAHMSSA-N 2 2 368.522 0.448 10 0 FCAELP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656342990 492604779 /nfs/dbraw/zinc/60/47/79/492604779.db2.gz IYHBJHTVKHRDDJ-NXOAAHMSSA-N 2 2 368.522 0.448 10 0 FCAELP O=S(=O)(CC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)c1ccccn1 ZINC000629591389 492657250 /nfs/dbraw/zinc/65/72/50/492657250.db2.gz HKSNGPNBMBPNEQ-MRXNPFEDSA-N 2 2 353.488 0.946 10 0 FCAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CC(=O)N1CCC(C(=O)N3CCCC3)CC1)C2 ZINC000629596543 492658538 /nfs/dbraw/zinc/65/85/38/492658538.db2.gz RJQRNIINEZNEQN-BGYRXZFFSA-N 2 2 362.518 0.779 10 0 FCAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC(=O)N1CCC(C(=O)N3CCCC3)CC1)C2 ZINC000629596543 492658541 /nfs/dbraw/zinc/65/85/41/492658541.db2.gz RJQRNIINEZNEQN-BGYRXZFFSA-N 2 2 362.518 0.779 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000657090688 492714794 /nfs/dbraw/zinc/71/47/94/492714794.db2.gz FRIWPXPVCJHWSU-UHFFFAOYSA-N 2 2 366.487 0.690 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000657090688 492714798 /nfs/dbraw/zinc/71/47/98/492714798.db2.gz FRIWPXPVCJHWSU-UHFFFAOYSA-N 2 2 366.487 0.690 10 0 FCAELP CC(=O)Nc1ncc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)s1 ZINC000657091679 492715466 /nfs/dbraw/zinc/71/54/66/492715466.db2.gz OLGSCIIOPAVKKR-UHFFFAOYSA-N 2 2 363.509 0.263 10 0 FCAELP CC(=O)Nc1ncc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)s1 ZINC000657091679 492715467 /nfs/dbraw/zinc/71/54/67/492715467.db2.gz OLGSCIIOPAVKKR-UHFFFAOYSA-N 2 2 363.509 0.263 10 0 FCAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)CC2 ZINC000625086684 492721787 /nfs/dbraw/zinc/72/17/87/492721787.db2.gz YKLIPXUIMSTNAB-CVEARBPZSA-N 2 2 361.490 0.813 10 0 FCAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)CC2 ZINC000625086684 492721790 /nfs/dbraw/zinc/72/17/90/492721790.db2.gz YKLIPXUIMSTNAB-CVEARBPZSA-N 2 2 361.490 0.813 10 0 FCAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2C[C@@H](CO)[C@H](C(F)(F)F)C2)CC1 ZINC000636987523 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JUVWNPFULMAIAA-HNNXBMFYSA-N 2 2 362.478 0.294 10 0 FCAELP O[C@H](COc1ccc2c(c1)OCO2)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625554493 492819584 /nfs/dbraw/zinc/81/95/84/492819584.db2.gz WZFNKJFAMXALTO-INIZCTEOSA-N 2 2 364.442 0.952 10 0 FCAELP C[N@@H+]1CCO[C@H](CS(=O)(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000631658052 492830333 /nfs/dbraw/zinc/83/03/33/492830333.db2.gz BXFFOUATHYLPNZ-IRXDYDNUSA-N 2 2 353.488 0.511 10 0 FCAELP C[N@H+]1CCO[C@H](CS(=O)(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000631658052 492830335 /nfs/dbraw/zinc/83/03/35/492830335.db2.gz BXFFOUATHYLPNZ-IRXDYDNUSA-N 2 2 353.488 0.511 10 0 FCAELP C[NH+]1CCO[C@H](CS(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000631658052 492830339 /nfs/dbraw/zinc/83/03/39/492830339.db2.gz BXFFOUATHYLPNZ-IRXDYDNUSA-N 2 2 353.488 0.511 10 0 FCAELP C[NH+]1CCO[C@H](CS(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000631658052 492830341 /nfs/dbraw/zinc/83/03/41/492830341.db2.gz BXFFOUATHYLPNZ-IRXDYDNUSA-N 2 2 353.488 0.511 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C[C@H](C)[N@H+]1CCO ZINC000651853065 492835387 /nfs/dbraw/zinc/83/53/87/492835387.db2.gz OVNUPTFXRBCTHV-OKILXGFUSA-N 2 2 372.429 0.119 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C[C@H](C)[N@@H+]1CCO ZINC000651853065 492835389 /nfs/dbraw/zinc/83/53/89/492835389.db2.gz OVNUPTFXRBCTHV-OKILXGFUSA-N 2 2 372.429 0.119 10 0 FCAELP C[N@@H+]1CCO[C@@H](CS(=O)(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000631765582 492849525 /nfs/dbraw/zinc/84/95/25/492849525.db2.gz KLDJDVKIWMTXGE-QGZVFWFLSA-N 2 2 368.503 0.296 10 0 FCAELP C[N@H+]1CCO[C@@H](CS(=O)(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000631765582 492849526 /nfs/dbraw/zinc/84/95/26/492849526.db2.gz KLDJDVKIWMTXGE-QGZVFWFLSA-N 2 2 368.503 0.296 10 0 FCAELP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)C1 ZINC000631787921 492853266 /nfs/dbraw/zinc/85/32/66/492853266.db2.gz IYSJANQCZDAFTN-OAGGEKHMSA-N 2 2 361.552 0.993 10 0 FCAELP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000631787921 492853267 /nfs/dbraw/zinc/85/32/67/492853267.db2.gz IYSJANQCZDAFTN-OAGGEKHMSA-N 2 2 361.552 0.993 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(N(C)C)nc1 ZINC000658335422 492861027 /nfs/dbraw/zinc/86/10/27/492861027.db2.gz WZHVELNNICEKRO-AWEZNQCLSA-N 2 2 364.494 0.474 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(N(C)C)nc1 ZINC000658335422 492861032 /nfs/dbraw/zinc/86/10/32/492861032.db2.gz WZHVELNNICEKRO-AWEZNQCLSA-N 2 2 364.494 0.474 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)ccc2[nH+]1 ZINC000658335984 492861464 /nfs/dbraw/zinc/86/14/64/492861464.db2.gz KTEIOMNHSLNTJO-AWEZNQCLSA-N 3 2 374.489 0.969 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)ccc2[nH+]1 ZINC000658335984 492861469 /nfs/dbraw/zinc/86/14/69/492861469.db2.gz KTEIOMNHSLNTJO-AWEZNQCLSA-N 3 2 374.489 0.969 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)ccc2n1 ZINC000658335984 492861474 /nfs/dbraw/zinc/86/14/74/492861474.db2.gz KTEIOMNHSLNTJO-AWEZNQCLSA-N 2 2 374.489 0.969 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)ccc2n1 ZINC000658335984 492861480 /nfs/dbraw/zinc/86/14/80/492861480.db2.gz KTEIOMNHSLNTJO-AWEZNQCLSA-N 2 2 374.489 0.969 10 0 FCAELP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)NCCOc1ccc2c(c1)OCO2 ZINC000631888542 492869854 /nfs/dbraw/zinc/86/98/54/492869854.db2.gz XDOCJWFDEPJOHK-HOCLYGCPSA-N 2 2 361.442 0.984 10 0 FCAELP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)NCCOc1ccc2c(c1)OCO2 ZINC000631888542 492869858 /nfs/dbraw/zinc/86/98/58/492869858.db2.gz XDOCJWFDEPJOHK-HOCLYGCPSA-N 2 2 361.442 0.984 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H]3C[NH2+]CC[C@H]32)C1 ZINC000631889311 492870440 /nfs/dbraw/zinc/87/04/40/492870440.db2.gz IGFKONVQCJPFTO-KZNAEPCWSA-N 3 2 352.523 0.533 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H]3C[NH2+]CC[C@H]32)C1 ZINC000631889311 492870446 /nfs/dbraw/zinc/87/04/46/492870446.db2.gz IGFKONVQCJPFTO-KZNAEPCWSA-N 3 2 352.523 0.533 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)C1 ZINC000631889311 492870448 /nfs/dbraw/zinc/87/04/48/492870448.db2.gz IGFKONVQCJPFTO-KZNAEPCWSA-N 3 2 352.523 0.533 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)C1 ZINC000631889311 492870453 /nfs/dbraw/zinc/87/04/53/492870453.db2.gz IGFKONVQCJPFTO-KZNAEPCWSA-N 3 2 352.523 0.533 10 0 FCAELP O=S(=O)(C[C@H]1C[NH2+]CCO1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000631914265 492880707 /nfs/dbraw/zinc/88/07/07/492880707.db2.gz UJHXPYFXDXVTFH-OAHLLOKOSA-N 2 2 354.476 0.480 10 0 FCAELP Cn1cnc2cc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc21 ZINC000658425489 492884387 /nfs/dbraw/zinc/88/43/87/492884387.db2.gz AYJVGXMRQUKABO-UHFFFAOYSA-N 2 2 360.462 0.512 10 0 FCAELP Cn1cnc2cc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc21 ZINC000658425489 492884389 /nfs/dbraw/zinc/88/43/89/492884389.db2.gz AYJVGXMRQUKABO-UHFFFAOYSA-N 2 2 360.462 0.512 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cc2n(n1)CCCC2 ZINC000658428504 492886418 /nfs/dbraw/zinc/88/64/18/492886418.db2.gz LAPJMQLLGRDCPA-UHFFFAOYSA-N 2 2 350.467 0.158 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc2n(n1)CCCC2 ZINC000658428504 492886421 /nfs/dbraw/zinc/88/64/21/492886421.db2.gz LAPJMQLLGRDCPA-UHFFFAOYSA-N 2 2 350.467 0.158 10 0 FCAELP CSc1ccncc1NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000658429329 492886560 /nfs/dbraw/zinc/88/65/60/492886560.db2.gz VWWMNETUXFZAAO-UHFFFAOYSA-N 2 2 353.492 0.742 10 0 FCAELP CSc1ccncc1NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000658429329 492886562 /nfs/dbraw/zinc/88/65/62/492886562.db2.gz VWWMNETUXFZAAO-UHFFFAOYSA-N 2 2 353.492 0.742 10 0 FCAELP CCO[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H]1C[NH3+] ZINC000652152205 492888204 /nfs/dbraw/zinc/88/82/04/492888204.db2.gz GYCCYERRSBZPAE-BFYDXBDKSA-N 3 2 353.511 0.160 10 0 FCAELP CCO[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H]1C[NH3+] ZINC000652152205 492888208 /nfs/dbraw/zinc/88/82/08/492888208.db2.gz GYCCYERRSBZPAE-BFYDXBDKSA-N 3 2 353.511 0.160 10 0 FCAELP C[N@@H+]1CCN(C(=O)NCCc2ccc3c(c2)OC(F)(F)O3)[C@H](C[NH3+])C1 ZINC000652307625 492908392 /nfs/dbraw/zinc/90/83/92/492908392.db2.gz FDKGVZUOZQOISB-GFCCVEGCSA-N 2 2 356.373 0.835 10 0 FCAELP C[N@H+]1CCN(C(=O)NCCc2ccc3c(c2)OC(F)(F)O3)[C@H](C[NH3+])C1 ZINC000652307625 492908395 /nfs/dbraw/zinc/90/83/95/492908395.db2.gz FDKGVZUOZQOISB-GFCCVEGCSA-N 2 2 356.373 0.835 10 0 FCAELP CCO[C@@H]1C[N@H+](CC(=O)NCCOc2ccc3c(c2)OCO3)C[C@H]1C[NH3+] ZINC000652356947 492914423 /nfs/dbraw/zinc/91/44/23/492914423.db2.gz RWBBLRLXZRCQNP-CXAGYDPISA-N 2 2 365.430 0.206 10 0 FCAELP CCO[C@@H]1C[N@@H+](CC(=O)NCCOc2ccc3c(c2)OCO3)C[C@H]1C[NH3+] ZINC000652356947 492914426 /nfs/dbraw/zinc/91/44/26/492914426.db2.gz RWBBLRLXZRCQNP-CXAGYDPISA-N 2 2 365.430 0.206 10 0 FCAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)CC2 ZINC000626010599 492914682 /nfs/dbraw/zinc/91/46/82/492914682.db2.gz YAJOSQDMPVZXDR-HUUCEWRRSA-N 2 2 368.503 0.331 10 0 FCAELP CCO[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(OC)c(OC)c2)C[C@H]1C[NH3+] ZINC000652358294 492915800 /nfs/dbraw/zinc/91/58/00/492915800.db2.gz UGRKKNDYSQNWIQ-CRAIPNDOSA-N 2 2 365.474 0.958 10 0 FCAELP CCO[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(OC)c(OC)c2)C[C@H]1C[NH3+] ZINC000652358294 492915804 /nfs/dbraw/zinc/91/58/04/492915804.db2.gz UGRKKNDYSQNWIQ-CRAIPNDOSA-N 2 2 365.474 0.958 10 0 FCAELP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)N(C)CC2C[NH+](C)C2)C[C@@H](C)O1 ZINC000658516465 492924148 /nfs/dbraw/zinc/92/41/48/492924148.db2.gz XRWUXUKHNYGLAB-BFYDXBDKSA-N 2 2 366.506 0.107 10 0 FCAELP C[C@@H]1C[C@@H](NS(=O)(=O)C[C@@H]2C[NH+](C)CCO2)C[N@@H+]1Cc1ccccc1 ZINC000632096495 492927886 /nfs/dbraw/zinc/92/78/86/492927886.db2.gz ZGFBPHWJPDUMEN-NXHRZFHOSA-N 2 2 367.515 0.899 10 0 FCAELP C[C@@H]1C[C@@H](NS(=O)(=O)C[C@@H]2C[NH+](C)CCO2)C[N@H+]1Cc1ccccc1 ZINC000632096495 492927889 /nfs/dbraw/zinc/92/78/89/492927889.db2.gz ZGFBPHWJPDUMEN-NXHRZFHOSA-N 2 2 367.515 0.899 10 0 FCAELP C[C@@H]1C[C@@H](NS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)C[NH+]1Cc1ccccc1 ZINC000632096495 492927891 /nfs/dbraw/zinc/92/78/91/492927891.db2.gz ZGFBPHWJPDUMEN-NXHRZFHOSA-N 2 2 367.515 0.899 10 0 FCAELP C[C@@H]1C[C@@H](NS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)C[NH+]1Cc1ccccc1 ZINC000632096495 492927895 /nfs/dbraw/zinc/92/78/95/492927895.db2.gz ZGFBPHWJPDUMEN-NXHRZFHOSA-N 2 2 367.515 0.899 10 0 FCAELP CN(C(=O)CCc1nn[nH]n1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000632100455 492929598 /nfs/dbraw/zinc/92/95/98/492929598.db2.gz DJOPZMRBIFMKCI-CVEARBPZSA-N 2 2 363.510 0.928 10 0 FCAELP CN(C(=O)CCc1nn[nH]n1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000632100455 492929599 /nfs/dbraw/zinc/92/95/99/492929599.db2.gz DJOPZMRBIFMKCI-CVEARBPZSA-N 2 2 363.510 0.928 10 0 FCAELP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000626089642 492929909 /nfs/dbraw/zinc/92/99/09/492929909.db2.gz ZCCVAMGFMCKJGU-INIZCTEOSA-N 2 2 359.536 0.845 10 0 FCAELP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000626089643 492929984 /nfs/dbraw/zinc/92/99/84/492929984.db2.gz ZCCVAMGFMCKJGU-MRXNPFEDSA-N 2 2 359.536 0.845 10 0 FCAELP Cc1cc[nH+]c(N2CCN(S(=O)(=O)C[C@H]3C[N@H+](C)CCO3)CC2)c1 ZINC000632113457 492932732 /nfs/dbraw/zinc/93/27/32/492932732.db2.gz CBXFLOIQJDKGAY-OAHLLOKOSA-N 2 2 354.476 0.172 10 0 FCAELP Cc1cc[nH+]c(N2CCN(S(=O)(=O)C[C@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC000632113457 492932736 /nfs/dbraw/zinc/93/27/36/492932736.db2.gz CBXFLOIQJDKGAY-OAHLLOKOSA-N 2 2 354.476 0.172 10 0 FCAELP Cc1ccc(CNS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)c(N2CCCC2)[nH+]1 ZINC000632196672 492948684 /nfs/dbraw/zinc/94/86/84/492948684.db2.gz GCTBQGYLCJESOU-MRXNPFEDSA-N 2 2 368.503 0.740 10 0 FCAELP Cc1ccc(CNS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)c(N2CCCC2)[nH+]1 ZINC000632196672 492948688 /nfs/dbraw/zinc/94/86/88/492948688.db2.gz GCTBQGYLCJESOU-MRXNPFEDSA-N 2 2 368.503 0.740 10 0 FCAELP C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3ccccc3C[NH+]3CCOCC3)[C@@H]2C1 ZINC000645626321 492949120 /nfs/dbraw/zinc/94/91/20/492949120.db2.gz YXDWOPABSXBOQD-SJLPKXTDSA-N 2 2 372.469 0.620 10 0 FCAELP C[N@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3ccccc3C[NH+]3CCOCC3)[C@@H]2C1 ZINC000645626321 492949124 /nfs/dbraw/zinc/94/91/24/492949124.db2.gz YXDWOPABSXBOQD-SJLPKXTDSA-N 2 2 372.469 0.620 10 0 FCAELP COc1ccc([C@@H](C[NH+](C)C)NS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000632319289 492972764 /nfs/dbraw/zinc/97/27/64/492972764.db2.gz UTEKAIAOUNYVOQ-DLBZAZTESA-N 2 2 371.503 0.548 10 0 FCAELP COc1ccc([C@@H](C[NH+](C)C)NS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000632319289 492972768 /nfs/dbraw/zinc/97/27/68/492972768.db2.gz UTEKAIAOUNYVOQ-DLBZAZTESA-N 2 2 371.503 0.548 10 0 FCAELP C[C@@H]1[C@H](NS(=O)(=O)C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000632340171 492977987 /nfs/dbraw/zinc/97/79/87/492977987.db2.gz TXGCCZQQBPMISC-KBAYOESNSA-N 2 2 367.515 0.899 10 0 FCAELP C[C@@H]1[C@H](NS(=O)(=O)C[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000632340171 492977989 /nfs/dbraw/zinc/97/79/89/492977989.db2.gz TXGCCZQQBPMISC-KBAYOESNSA-N 2 2 367.515 0.899 10 0 FCAELP C[C@@H]1[C@H](NS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000632340171 492977990 /nfs/dbraw/zinc/97/79/90/492977990.db2.gz TXGCCZQQBPMISC-KBAYOESNSA-N 2 2 367.515 0.899 10 0 FCAELP C[C@@H]1[C@H](NS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000632340171 492977992 /nfs/dbraw/zinc/97/79/92/492977992.db2.gz TXGCCZQQBPMISC-KBAYOESNSA-N 2 2 367.515 0.899 10 0 FCAELP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)[C@H](C)C1 ZINC000658616877 492981748 /nfs/dbraw/zinc/98/17/48/492981748.db2.gz VCAUVAKQUBVVGJ-IKGGRYGDSA-N 2 2 366.506 0.108 10 0 FCAELP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)[C@H](C)C1 ZINC000658616877 492981751 /nfs/dbraw/zinc/98/17/51/492981751.db2.gz VCAUVAKQUBVVGJ-IKGGRYGDSA-N 2 2 366.506 0.108 10 0 FCAELP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)[C@@H](C)C1 ZINC000658616882 492981818 /nfs/dbraw/zinc/98/18/18/492981818.db2.gz VCAUVAKQUBVVGJ-ULQDDVLXSA-N 2 2 366.506 0.108 10 0 FCAELP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)[C@@H](C)C1 ZINC000658616882 492981819 /nfs/dbraw/zinc/98/18/19/492981819.db2.gz VCAUVAKQUBVVGJ-ULQDDVLXSA-N 2 2 366.506 0.108 10 0 FCAELP C[N@@H+]1CCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)[C@H](Cc2ccccc2)C1 ZINC000652714253 492998418 /nfs/dbraw/zinc/99/84/18/492998418.db2.gz HJJYVQBSELPFTO-QGZVFWFLSA-N 2 2 358.486 0.617 10 0 FCAELP C[N@H+]1CCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)[C@H](Cc2ccccc2)C1 ZINC000652714253 492998421 /nfs/dbraw/zinc/99/84/21/492998421.db2.gz HJJYVQBSELPFTO-QGZVFWFLSA-N 2 2 358.486 0.617 10 0 FCAELP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)N1CCO[C@@H]3CCCC[C@H]31)CCO2 ZINC000646104391 493013034 /nfs/dbraw/zinc/01/30/34/493013034.db2.gz LQTKPUUJBZZYJC-IAGOWNOFSA-N 2 2 351.491 0.953 10 0 FCAELP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)N1CCO[C@@H]3CCCC[C@H]31)CCO2 ZINC000646104391 493013039 /nfs/dbraw/zinc/01/30/39/493013039.db2.gz LQTKPUUJBZZYJC-IAGOWNOFSA-N 2 2 351.491 0.953 10 0 FCAELP Cc1nc(N)c(CNC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)c[nH+]1 ZINC000646166804 493021886 /nfs/dbraw/zinc/02/18/86/493021886.db2.gz XEYXHWUUYVDOSO-KRWDZBQOSA-N 2 2 354.458 0.972 10 0 FCAELP CC(C)[C@H](C(=O)N1CC(C[NH+]2CCOCC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000646355558 493043246 /nfs/dbraw/zinc/04/32/46/493043246.db2.gz POTHFZFNYOAWEJ-JFIYKMOQSA-N 2 2 353.507 0.911 10 0 FCAELP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000626911789 493060789 /nfs/dbraw/zinc/06/07/89/493060789.db2.gz PXVWPSXSMFZENP-AWEZNQCLSA-N 2 2 362.430 0.646 10 0 FCAELP CCN(C(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000658809117 493064311 /nfs/dbraw/zinc/06/43/11/493064311.db2.gz ZOVMGMSTZGUTIK-HNNXBMFYSA-N 2 2 364.515 0.945 10 0 FCAELP CCN(C(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000658809117 493064315 /nfs/dbraw/zinc/06/43/15/493064315.db2.gz ZOVMGMSTZGUTIK-HNNXBMFYSA-N 2 2 364.515 0.945 10 0 FCAELP C[NH2+]CCOCCN(C)C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000626925850 493065035 /nfs/dbraw/zinc/06/50/35/493065035.db2.gz SRVKKPWORIJLBI-SFHVURJKSA-N 2 2 364.490 0.937 10 0 FCAELP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000653072334 493066151 /nfs/dbraw/zinc/06/61/51/493066151.db2.gz OFRCYODQMHVOBD-HNNXBMFYSA-N 2 2 354.401 0.528 10 0 FCAELP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000626946772 493069412 /nfs/dbraw/zinc/06/94/12/493069412.db2.gz ZXTBZAAMWCZRPV-GOEBONIOSA-N 2 2 354.520 0.778 10 0 FCAELP CCN(C(=O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000658825615 493073334 /nfs/dbraw/zinc/07/33/34/493073334.db2.gz LNULTDZYPWVNSZ-QGZVFWFLSA-N 2 2 373.501 0.981 10 0 FCAELP CCN(C(=O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000658825615 493073336 /nfs/dbraw/zinc/07/33/36/493073336.db2.gz LNULTDZYPWVNSZ-QGZVFWFLSA-N 2 2 373.501 0.981 10 0 FCAELP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000653124168 493074649 /nfs/dbraw/zinc/07/46/49/493074649.db2.gz SDYBGLCJDYNCOS-QGZVFWFLSA-N 3 2 361.490 0.221 10 0 FCAELP C[C@H](NC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)[C@@H]1CCC[NH2+]C1 ZINC000627068686 493085555 /nfs/dbraw/zinc/08/55/55/493085555.db2.gz MBPSNCGJQBCPNH-JQHSSLGASA-N 2 2 361.490 0.970 10 0 FCAELP C[C@H](NC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)[C@@H]1CCC[NH2+]C1 ZINC000627068686 493085558 /nfs/dbraw/zinc/08/55/58/493085558.db2.gz MBPSNCGJQBCPNH-JQHSSLGASA-N 2 2 361.490 0.970 10 0 FCAELP COCCOCC[NH+]1CCN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000653276265 493088248 /nfs/dbraw/zinc/08/82/48/493088248.db2.gz ZJLRIWGFWZDULY-KRWDZBQOSA-N 2 2 353.438 0.675 10 0 FCAELP [NH3+][C@@H]1CCCCCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000632918149 493096681 /nfs/dbraw/zinc/09/66/81/493096681.db2.gz USSUQGYFKWLLSS-OAHLLOKOSA-N 2 2 350.467 0.951 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)N3CN(CC[NH+](C)C)C(=O)[C@H]3C)ccc2[nH+]1 ZINC000646820382 493105202 /nfs/dbraw/zinc/10/52/02/493105202.db2.gz ZUTAFFAONMZQMW-CYBMUJFWSA-N 2 2 372.429 0.160 10 0 FCAELP [NH3+][C@@H]1CN(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)CC[C@H]1F ZINC000627223795 493109864 /nfs/dbraw/zinc/10/98/64/493109864.db2.gz GHSDYGBXMCYMFA-ARFHVFGLSA-N 2 2 351.426 0.363 10 0 FCAELP [NH3+][C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)CC[C@H]1F ZINC000627223795 493109866 /nfs/dbraw/zinc/10/98/66/493109866.db2.gz GHSDYGBXMCYMFA-ARFHVFGLSA-N 2 2 351.426 0.363 10 0 FCAELP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)CCO1 ZINC000627225183 493110050 /nfs/dbraw/zinc/11/00/50/493110050.db2.gz VBPSRBRVKYDARW-BHYGNILZSA-N 2 2 363.462 0.040 10 0 FCAELP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)CCO1 ZINC000627225183 493110052 /nfs/dbraw/zinc/11/00/52/493110052.db2.gz VBPSRBRVKYDARW-BHYGNILZSA-N 2 2 363.462 0.040 10 0 FCAELP O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000627225423 493110705 /nfs/dbraw/zinc/11/07/05/493110705.db2.gz XKRYAPVXYSFWJI-FGTMMUONSA-N 2 2 359.474 0.818 10 0 FCAELP O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000627225423 493110708 /nfs/dbraw/zinc/11/07/08/493110708.db2.gz XKRYAPVXYSFWJI-FGTMMUONSA-N 2 2 359.474 0.818 10 0 FCAELP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000633076078 493115693 /nfs/dbraw/zinc/11/56/93/493115693.db2.gz GLIOYZPTYLTFHN-HZPDHXFCSA-N 2 2 352.479 0.040 10 0 FCAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000627312921 493146659 /nfs/dbraw/zinc/14/66/59/493146659.db2.gz NOGNMISDIHTQDL-FZKCQIBNSA-N 2 2 352.479 0.003 10 0 FCAELP C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C[NH2+]1 ZINC000627312758 493146975 /nfs/dbraw/zinc/14/69/75/493146975.db2.gz HYTFGVUFHCDZEF-UGUYLWEFSA-N 2 2 352.479 0.003 10 0 FCAELP C[C@H]1CC[C@H](NC(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C[NH2+]1 ZINC000627324273 493152842 /nfs/dbraw/zinc/15/28/42/493152842.db2.gz VVGSMTAEWXXOPD-HOCLYGCPSA-N 2 2 359.474 0.945 10 0 FCAELP C[C@@H]1CC[C@H](NC(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C[NH2+]1 ZINC000627324274 493153031 /nfs/dbraw/zinc/15/30/31/493153031.db2.gz VVGSMTAEWXXOPD-ZBFHGGJFSA-N 2 2 359.474 0.945 10 0 FCAELP C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C[NH2+]1 ZINC000627324272 493153130 /nfs/dbraw/zinc/15/31/30/493153130.db2.gz VVGSMTAEWXXOPD-GOEBONIOSA-N 2 2 359.474 0.945 10 0 FCAELP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)NCc1cc[nH+]c(N3CCCC3)c1)C2 ZINC000627324757 493153899 /nfs/dbraw/zinc/15/38/99/493153899.db2.gz LRZGAGRTBSFEBC-BGYRXZFFSA-N 2 2 371.485 0.756 10 0 FCAELP c1cc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)n(-c2ccccn2)n1 ZINC000647183868 493173810 /nfs/dbraw/zinc/17/38/10/493173810.db2.gz QLLJTYXNPGQZSN-QGZVFWFLSA-N 2 2 356.474 0.763 10 0 FCAELP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000627378609 493187953 /nfs/dbraw/zinc/18/79/53/493187953.db2.gz QFDKSUTTZOFTKA-INIZCTEOSA-N 2 2 359.474 0.623 10 0 FCAELP O=C(Nc1ccccc1C[NH+]1CCOCC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000653948845 493196922 /nfs/dbraw/zinc/19/69/22/493196922.db2.gz FFTGTRXNTYVSQQ-DLBZAZTESA-N 2 2 360.458 0.802 10 0 FCAELP O=C(Nc1ccccc1C[NH+]1CCOCC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000653948845 493196927 /nfs/dbraw/zinc/19/69/27/493196927.db2.gz FFTGTRXNTYVSQQ-DLBZAZTESA-N 2 2 360.458 0.802 10 0 FCAELP Cc1cc(NCCNC(=O)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000627416808 493209243 /nfs/dbraw/zinc/20/92/43/493209243.db2.gz IDEFRYIVGYCKPV-TZMCWYRMSA-N 2 2 362.478 0.693 10 0 FCAELP Cc1cc(NCCNC(=O)C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000627416806 493209356 /nfs/dbraw/zinc/20/93/56/493209356.db2.gz IDEFRYIVGYCKPV-JSGCOSHPSA-N 2 2 362.478 0.693 10 0 FCAELP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000659626914 493222592 /nfs/dbraw/zinc/22/25/92/493222592.db2.gz NSTSLTOFKVPIFA-OTWHNJEPSA-N 2 2 357.502 0.663 10 0 FCAELP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000659626914 493222596 /nfs/dbraw/zinc/22/25/96/493222596.db2.gz NSTSLTOFKVPIFA-OTWHNJEPSA-N 2 2 357.502 0.663 10 0 FCAELP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000659676514 493246767 /nfs/dbraw/zinc/24/67/67/493246767.db2.gz GUDQHYYTRXBTDR-NZVBXONLSA-N 2 2 354.401 0.550 10 0 FCAELP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000659676514 493246770 /nfs/dbraw/zinc/24/67/70/493246770.db2.gz GUDQHYYTRXBTDR-NZVBXONLSA-N 2 2 354.401 0.550 10 0 FCAELP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659680769 493248977 /nfs/dbraw/zinc/24/89/77/493248977.db2.gz KQAFVZPQORJQTQ-UHFFFAOYSA-N 2 2 357.389 0.496 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCN1C[C@H]2CCCCN2C1=O ZINC000667034609 493252054 /nfs/dbraw/zinc/25/20/54/493252054.db2.gz QBNIVQVDQQDBLJ-MRXNPFEDSA-N 2 2 368.526 0.459 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCN1C[C@H]2CCCCN2C1=O ZINC000667034609 493252057 /nfs/dbraw/zinc/25/20/57/493252057.db2.gz QBNIVQVDQQDBLJ-MRXNPFEDSA-N 2 2 368.526 0.459 10 0 FCAELP O=C(NCc1[nH+]ccn1CCc1ccccc1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659687826 493253730 /nfs/dbraw/zinc/25/37/30/493253730.db2.gz OOJLYFCGJCLWOX-UHFFFAOYSA-N 2 2 367.453 0.610 10 0 FCAELP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000659693178 493256949 /nfs/dbraw/zinc/25/69/49/493256949.db2.gz XYRMAWUZDSIMLM-OAHLLOKOSA-N 2 2 363.462 0.024 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659698494 493259515 /nfs/dbraw/zinc/25/95/15/493259515.db2.gz OLFNOLDCBPGSCF-DOTOQJQBSA-N 2 2 366.506 0.062 10 0 FCAELP CC(C)C[C@H](NC(=O)N[C@H](C)c1[nH+]ccn1C)C(=O)NCC[NH+](C)C ZINC000667252108 493269559 /nfs/dbraw/zinc/26/95/59/493269559.db2.gz AULCJMOWQPJRSN-KGLIPLIRSA-N 2 2 352.483 0.873 10 0 FCAELP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H](C)c2[nH+]ccn2C)CC1 ZINC000667256459 493269841 /nfs/dbraw/zinc/26/98/41/493269841.db2.gz LRETXZWOKWBBEL-CQSZACIVSA-N 2 2 350.467 0.677 10 0 FCAELP CCc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000682230953 493281640 /nfs/dbraw/zinc/28/16/40/493281640.db2.gz QSIZTIIPFZSDPE-CQSZACIVSA-N 2 2 363.462 0.802 10 0 FCAELP CCc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000682230953 493281642 /nfs/dbraw/zinc/28/16/42/493281642.db2.gz QSIZTIIPFZSDPE-CQSZACIVSA-N 2 2 363.462 0.802 10 0 FCAELP CCCn1nccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682274677 493284773 /nfs/dbraw/zinc/28/47/73/493284773.db2.gz LPFKRFVPJQWXAY-CQSZACIVSA-N 2 2 362.478 0.516 10 0 FCAELP CCCn1nccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682274677 493284777 /nfs/dbraw/zinc/28/47/77/493284777.db2.gz LPFKRFVPJQWXAY-CQSZACIVSA-N 2 2 362.478 0.516 10 0 FCAELP COCCNC(=O)C[NH+]1CCN(Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667489385 493287265 /nfs/dbraw/zinc/28/72/65/493287265.db2.gz ODGLVVGWGNVOJF-UHFFFAOYSA-N 2 2 358.446 0.148 10 0 FCAELP Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)c(N2CCCC2)[nH+]1 ZINC000673258274 493307820 /nfs/dbraw/zinc/30/78/20/493307820.db2.gz NOGAKVWVDHKUAC-MRXNPFEDSA-N 2 2 359.474 0.817 10 0 FCAELP Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)c(N2CCCC2)[nH+]1 ZINC000673258274 493307821 /nfs/dbraw/zinc/30/78/21/493307821.db2.gz NOGAKVWVDHKUAC-MRXNPFEDSA-N 2 2 359.474 0.817 10 0 FCAELP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000660071709 493321145 /nfs/dbraw/zinc/32/11/45/493321145.db2.gz MHNWGFDDOCWIKF-GOSISDBHSA-N 3 2 354.539 0.564 10 0 FCAELP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000660071709 493321147 /nfs/dbraw/zinc/32/11/47/493321147.db2.gz MHNWGFDDOCWIKF-GOSISDBHSA-N 3 2 354.539 0.564 10 0 FCAELP CCN1OC[C@H]([NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)C1=O ZINC000660119361 493326558 /nfs/dbraw/zinc/32/65/58/493326558.db2.gz OBIFJPDEVADQDE-KRWDZBQOSA-N 2 2 366.506 0.853 10 0 FCAELP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000673454727 493330686 /nfs/dbraw/zinc/33/06/86/493330686.db2.gz KCIOLFLMGWXPLL-XOYOTBSWSA-N 2 2 374.485 0.383 10 0 FCAELP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000673454727 493330689 /nfs/dbraw/zinc/33/06/89/493330689.db2.gz KCIOLFLMGWXPLL-XOYOTBSWSA-N 2 2 374.485 0.383 10 0 FCAELP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000673454727 493330691 /nfs/dbraw/zinc/33/06/91/493330691.db2.gz KCIOLFLMGWXPLL-XOYOTBSWSA-N 2 2 374.485 0.383 10 0 FCAELP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000673454727 493330694 /nfs/dbraw/zinc/33/06/94/493330694.db2.gz KCIOLFLMGWXPLL-XOYOTBSWSA-N 2 2 374.485 0.383 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000660652939 493370055 /nfs/dbraw/zinc/37/00/55/493370055.db2.gz MVWVGVFJOWWUTG-AZUAARDMSA-N 3 2 366.550 0.877 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000660652939 493370057 /nfs/dbraw/zinc/37/00/57/493370057.db2.gz MVWVGVFJOWWUTG-AZUAARDMSA-N 3 2 366.550 0.877 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000660652939 493370060 /nfs/dbraw/zinc/37/00/60/493370060.db2.gz MVWVGVFJOWWUTG-AZUAARDMSA-N 3 2 366.550 0.877 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000660652939 493370064 /nfs/dbraw/zinc/37/00/64/493370064.db2.gz MVWVGVFJOWWUTG-AZUAARDMSA-N 3 2 366.550 0.877 10 0 FCAELP COc1ccc2ncc(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)n2n1 ZINC000668639261 493388688 /nfs/dbraw/zinc/38/86/88/493388688.db2.gz HFIGSSGVXGSACT-CYBMUJFWSA-N 2 2 358.446 0.636 10 0 FCAELP COc1ccc2ncc(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)n2n1 ZINC000668639261 493388691 /nfs/dbraw/zinc/38/86/91/493388691.db2.gz HFIGSSGVXGSACT-CYBMUJFWSA-N 2 2 358.446 0.636 10 0 FCAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661143817 493411783 /nfs/dbraw/zinc/41/17/83/493411783.db2.gz WGONZPVRWBEFMG-SJORKVTESA-N 2 2 369.473 0.732 10 0 FCAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661143817 493411786 /nfs/dbraw/zinc/41/17/86/493411786.db2.gz WGONZPVRWBEFMG-SJORKVTESA-N 2 2 369.473 0.732 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCC[C@@H]4C[C@@H]43)C2)CC1 ZINC000668911816 493435828 /nfs/dbraw/zinc/43/58/28/493435828.db2.gz ZHEXBIPFXLMSPG-CVYDXHPNSA-N 2 2 362.518 0.824 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCC[C@@H]4C[C@@H]43)C2)CC1 ZINC000668911816 493435831 /nfs/dbraw/zinc/43/58/31/493435831.db2.gz ZHEXBIPFXLMSPG-CVYDXHPNSA-N 2 2 362.518 0.824 10 0 FCAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000674649984 493437167 /nfs/dbraw/zinc/43/71/67/493437167.db2.gz PJDDZZRNUZUWSQ-YLJYHZDGSA-N 2 2 374.485 0.789 10 0 FCAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000674649984 493437169 /nfs/dbraw/zinc/43/71/69/493437169.db2.gz PJDDZZRNUZUWSQ-YLJYHZDGSA-N 2 2 374.485 0.789 10 0 FCAELP CN(CCCNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)CC[NH+](C)C ZINC000685131258 493450405 /nfs/dbraw/zinc/45/04/05/493450405.db2.gz QFICILCBEAAXFC-UHFFFAOYSA-N 2 2 373.461 0.206 10 0 FCAELP CC[N@H+](CCNC(=O)C(=O)N[C@H]1CCC[NH+](C)C1)CCC(F)(F)F ZINC000685176440 493462628 /nfs/dbraw/zinc/46/26/28/493462628.db2.gz JIUZXXQMKNNPOF-LBPRGKRZSA-N 2 2 352.401 0.587 10 0 FCAELP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CCC[NH+](C)C1)CCC(F)(F)F ZINC000685176440 493462629 /nfs/dbraw/zinc/46/26/29/493462629.db2.gz JIUZXXQMKNNPOF-LBPRGKRZSA-N 2 2 352.401 0.587 10 0 FCAELP CC[NH+](CCNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1)CCC(F)(F)F ZINC000685176440 493462630 /nfs/dbraw/zinc/46/26/30/493462630.db2.gz JIUZXXQMKNNPOF-LBPRGKRZSA-N 2 2 352.401 0.587 10 0 FCAELP CC[NH+](CCNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1)CCC(F)(F)F ZINC000685176440 493462631 /nfs/dbraw/zinc/46/26/31/493462631.db2.gz JIUZXXQMKNNPOF-LBPRGKRZSA-N 2 2 352.401 0.587 10 0 FCAELP C[NH+]1CCC(CNC(=O)c2nc3ncccn3n2)([NH+]2CCCCC2)CC1 ZINC000669251504 493483312 /nfs/dbraw/zinc/48/33/12/493483312.db2.gz CXOWVHOLORRIIP-UHFFFAOYSA-N 2 2 357.462 0.804 10 0 FCAELP O=S(=O)(NC1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1)c1ccc(F)cc1 ZINC000662253924 493500508 /nfs/dbraw/zinc/50/05/08/493500508.db2.gz YUANJJYGPDLBAF-HNNXBMFYSA-N 2 2 357.451 0.557 10 0 FCAELP O=C(NCC[NH+]1CCN(C[C@@H]2C[NH2+]CCO2)CC1)c1ccccc1F ZINC000662260763 493501003 /nfs/dbraw/zinc/50/10/03/493501003.db2.gz CEJUHZOAKDDTKB-HNNXBMFYSA-N 2 2 350.438 0.162 10 0 FCAELP C[N@@H+]1CCC[C@H](NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000675786012 493503634 /nfs/dbraw/zinc/50/36/34/493503634.db2.gz UAUNOOHLLNBLBF-INIZCTEOSA-N 2 2 359.474 0.721 10 0 FCAELP C[N@H+]1CCC[C@H](NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000675786012 493503637 /nfs/dbraw/zinc/50/36/37/493503637.db2.gz UAUNOOHLLNBLBF-INIZCTEOSA-N 2 2 359.474 0.721 10 0 FCAELP C[NH+](C)CCC[C@@H]1C[N@H+](CCN2C(=O)NC3(CCCC3)C2=O)CCO1 ZINC000662323394 493506206 /nfs/dbraw/zinc/50/62/06/493506206.db2.gz ZJZGDIRAVNDSCH-OAHLLOKOSA-N 2 2 352.479 0.894 10 0 FCAELP C[NH+](C)CCC[C@@H]1C[N@@H+](CCN2C(=O)NC3(CCCC3)C2=O)CCO1 ZINC000662323394 493506207 /nfs/dbraw/zinc/50/62/07/493506207.db2.gz ZJZGDIRAVNDSCH-OAHLLOKOSA-N 2 2 352.479 0.894 10 0 FCAELP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662530857 493523968 /nfs/dbraw/zinc/52/39/68/493523968.db2.gz SONFWVADRQHQHN-UHFFFAOYSA-N 2 2 374.445 0.923 10 0 FCAELP CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676100825 493525235 /nfs/dbraw/zinc/52/52/35/493525235.db2.gz OGYGWMPWWAGYBL-UHFFFAOYSA-N 2 2 353.386 0.951 10 0 FCAELP CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)CC3([NH3+])CC3)c2)CC1 ZINC000662664427 493530411 /nfs/dbraw/zinc/53/04/11/493530411.db2.gz XIUJYUXRDBCDGY-UHFFFAOYSA-N 2 2 366.487 0.833 10 0 FCAELP C[C@@H](CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662833691 493545350 /nfs/dbraw/zinc/54/53/50/493545350.db2.gz PTDCUVXTSXSMFC-JONQDZQNSA-N 2 2 364.494 0.820 10 0 FCAELP C[C@@H](CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662833691 493545351 /nfs/dbraw/zinc/54/53/51/493545351.db2.gz PTDCUVXTSXSMFC-JONQDZQNSA-N 2 2 364.494 0.820 10 0 FCAELP CN(C(=O)COC1CCC([NH3+])CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900189 493550002 /nfs/dbraw/zinc/55/00/02/493550002.db2.gz KFNHKXHQUHDSHO-IIIMJFFVSA-N 3 2 352.523 0.900 10 0 FCAELP CN(C(=O)COC1CCC([NH3+])CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900189 493550003 /nfs/dbraw/zinc/55/00/03/493550003.db2.gz KFNHKXHQUHDSHO-IIIMJFFVSA-N 3 2 352.523 0.900 10 0 FCAELP O=C1C[C@@H]([NH2+][C@H]2CCN(c3ccccc3)C2)CN1CC[NH+]1CCOCC1 ZINC000676418316 493550801 /nfs/dbraw/zinc/55/08/01/493550801.db2.gz LYXCZHTUGSCDMP-ZWKOTPCHSA-N 2 2 358.486 0.788 10 0 FCAELP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662945753 493558724 /nfs/dbraw/zinc/55/87/24/493558724.db2.gz UQIZMACMKQQRPH-ZIAGYGMSSA-N 2 2 357.451 0.533 10 0 FCAELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]C[C@H](O)CN2CCOCC2)C1 ZINC000663372247 493585674 /nfs/dbraw/zinc/58/56/74/493585674.db2.gz HSOXHIPKZNEMED-UXHICEINSA-N 2 2 362.518 0.085 10 0 FCAELP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]C[C@H](O)CN2CCOCC2)C1 ZINC000663372247 493585677 /nfs/dbraw/zinc/58/56/77/493585677.db2.gz HSOXHIPKZNEMED-UXHICEINSA-N 2 2 362.518 0.085 10 0 FCAELP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000670679353 493587779 /nfs/dbraw/zinc/58/77/79/493587779.db2.gz OZHCASDAHQTISO-SFHVURJKSA-N 2 2 374.485 0.345 10 0 FCAELP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000670679353 493587781 /nfs/dbraw/zinc/58/77/81/493587781.db2.gz OZHCASDAHQTISO-SFHVURJKSA-N 2 2 374.485 0.345 10 0 FCAELP C[NH+](C)CCC[C@H]1CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CCO1 ZINC000663441305 493589796 /nfs/dbraw/zinc/58/97/96/493589796.db2.gz XXVBTMJABXZEOY-INIZCTEOSA-N 2 2 356.511 0.849 10 0 FCAELP CNC(=O)c1cccc(OCC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000677549076 493607909 /nfs/dbraw/zinc/60/79/09/493607909.db2.gz ANJGQVQWVHEEFG-MRXNPFEDSA-N 2 2 374.485 0.710 10 0 FCAELP CNC(=O)c1cccc(OCC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000677549076 493607911 /nfs/dbraw/zinc/60/79/11/493607911.db2.gz ANJGQVQWVHEEFG-MRXNPFEDSA-N 2 2 374.485 0.710 10 0 FCAELP O=C(NCCCC[NH+]1CCOCC1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671032085 493624965 /nfs/dbraw/zinc/62/49/65/493624965.db2.gz PATSAJAGNPDMNJ-UHFFFAOYSA-N 2 2 374.485 0.347 10 0 FCAELP C[C@H](NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000664006630 493630063 /nfs/dbraw/zinc/63/00/63/493630063.db2.gz JPEGYXRHGSOMFY-ULQDDVLXSA-N 2 2 356.511 0.848 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1nnnn1-c1ccccc1 ZINC000664029666 493631035 /nfs/dbraw/zinc/63/10/35/493631035.db2.gz LPYKHZDLZWDAMW-UHFFFAOYSA-N 2 2 360.466 0.345 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1nnnn1-c1ccccc1 ZINC000664029666 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ZINC000908317476 666199394 /nfs/dbraw/zinc/19/93/94/666199394.db2.gz YYMJJHRAHRFPHZ-NOCRFKNCSA-N 2 2 351.491 0.977 10 0 FCAELP O=C(NC[C@]1(CO)COCC[NH2+]1)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000913196769 666515646 /nfs/dbraw/zinc/51/56/46/666515646.db2.gz TZVGKFCTWGVJDM-AEFFLSMTSA-N 2 2 367.877 0.772 10 0 FCAELP O=C(NC[C@]1(CO)COCC[NH2+]1)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000913196769 666515651 /nfs/dbraw/zinc/51/56/51/666515651.db2.gz TZVGKFCTWGVJDM-AEFFLSMTSA-N 2 2 367.877 0.772 10 0 FCAELP CCO[C@H](CNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)C[NH+](C)C ZINC000914327959 666741411 /nfs/dbraw/zinc/74/14/11/666741411.db2.gz CFVJUCDEAOEUDB-WBVHZDCISA-N 2 2 374.551 0.460 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCOC[C@H]3CCO)CC2)CC1 ZINC000758433022 667759562 /nfs/dbraw/zinc/75/95/62/667759562.db2.gz QRTZLCVIYHXRKO-QGZVFWFLSA-N 2 2 354.495 0.338 10 0 FCAELP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000923370028 667828605 /nfs/dbraw/zinc/82/86/05/667828605.db2.gz OJCQSZYTNZPHMC-KBXIAJHMSA-N 2 2 361.552 0.964 10 0 FCAELP CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+][C@@H]2CC[NH2+]C23CCC3)CCC1 ZINC000923397128 667831247 /nfs/dbraw/zinc/83/12/47/667831247.db2.gz AFFUAJNNBAWKLA-ZIAGYGMSSA-N 2 2 359.536 0.862 10 0 FCAELP CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)CCC1 ZINC000923397408 667831307 /nfs/dbraw/zinc/83/13/07/667831307.db2.gz CZOJXKQVJHZGRF-SQWLQELKSA-N 2 2 359.536 0.801 10 0 FCAELP CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)CCC1 ZINC000923397408 667831310 /nfs/dbraw/zinc/83/13/10/667831310.db2.gz CZOJXKQVJHZGRF-SQWLQELKSA-N 2 2 359.536 0.801 10 0 FCAELP CCCCN(C(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000923504114 667842129 /nfs/dbraw/zinc/84/21/29/667842129.db2.gz NXGOGPKXJQAOID-XHSDSOJGSA-N 2 2 359.536 0.719 10 0 FCAELP CCCCN(C(=O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000923504114 667842131 /nfs/dbraw/zinc/84/21/31/667842131.db2.gz NXGOGPKXJQAOID-XHSDSOJGSA-N 2 2 359.536 0.719 10 0 FCAELP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)CC1 ZINC000795315024 669025991 /nfs/dbraw/zinc/02/59/91/669025991.db2.gz JQZIPJQXYZXERS-QAPCUYQASA-N 2 2 352.479 0.703 10 0 FCAELP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)CC1 ZINC000795315024 669025997 /nfs/dbraw/zinc/02/59/97/669025997.db2.gz JQZIPJQXYZXERS-QAPCUYQASA-N 2 2 352.479 0.703 10 0 FCAELP CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000795315024 669026002 /nfs/dbraw/zinc/02/60/02/669026002.db2.gz JQZIPJQXYZXERS-QAPCUYQASA-N 2 2 352.479 0.703 10 0 FCAELP CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000795315024 669026007 /nfs/dbraw/zinc/02/60/07/669026007.db2.gz JQZIPJQXYZXERS-QAPCUYQASA-N 2 2 352.479 0.703 10 0 FCAELP CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000843061185 670772620 /nfs/dbraw/zinc/77/26/20/670772620.db2.gz BLLRCUPWRMTQER-RDJZCZTQSA-N 2 2 356.488 0.560 10 0 FCAELP C[NH+]1CCC(CNC(=O)CO[C@@H]2CCC[NH2+]C2)([NH+]2CCCCC2)CC1 ZINC000844192286 670908924 /nfs/dbraw/zinc/90/89/24/670908924.db2.gz YLHZAXHJIYVRSZ-QGZVFWFLSA-N 3 2 352.523 0.822 10 0 FCAELP Cc1nc(Cl)ccc1NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000850596185 671388845 /nfs/dbraw/zinc/38/88/45/671388845.db2.gz MOEWGRXUSJMYFD-UHFFFAOYSA-N 2 2 355.870 0.982 10 0 FCAELP Cc1nc(Cl)ccc1NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000850596185 671388848 /nfs/dbraw/zinc/38/88/48/671388848.db2.gz MOEWGRXUSJMYFD-UHFFFAOYSA-N 2 2 355.870 0.982 10 0 FCAELP CCN(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000853710545 671555278 /nfs/dbraw/zinc/55/52/78/671555278.db2.gz XEVNZISTCXGVLE-OAHLLOKOSA-N 2 2 360.524 0.231 10 0 FCAELP CCN(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000853710545 671555282 /nfs/dbraw/zinc/55/52/82/671555282.db2.gz XEVNZISTCXGVLE-OAHLLOKOSA-N 2 2 360.524 0.231 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCCN1C(=O)C(F)(F)F ZINC000855414354 671641912 /nfs/dbraw/zinc/64/19/12/671641912.db2.gz CDUCTAPSGOZOJV-GFCCVEGCSA-N 2 2 352.401 0.539 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCCN1C(=O)C(F)(F)F ZINC000855414354 671641915 /nfs/dbraw/zinc/64/19/15/671641915.db2.gz CDUCTAPSGOZOJV-GFCCVEGCSA-N 2 2 352.401 0.539 10 0 FCAELP Cc1noc(C)c1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903560946 675944447 /nfs/dbraw/zinc/94/44/47/675944447.db2.gz FDXOYSAZZUWPLL-GASCZTMLSA-N 2 2 354.476 0.881 10 0 FCAELP Cc1noc(C)c1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903560946 675944449 /nfs/dbraw/zinc/94/44/49/675944449.db2.gz FDXOYSAZZUWPLL-GASCZTMLSA-N 2 2 354.476 0.881 10 0 FCAELP CN(C(=O)[C@@H]1COC(=O)N1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000860401750 671883809 /nfs/dbraw/zinc/88/38/09/671883809.db2.gz ROBGVATWKZXACN-JYJNAYRXSA-N 2 2 352.479 0.890 10 0 FCAELP CN(C(=O)[C@@H]1COC(=O)N1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000860401750 671883812 /nfs/dbraw/zinc/88/38/12/671883812.db2.gz ROBGVATWKZXACN-JYJNAYRXSA-N 2 2 352.479 0.890 10 0 FCAELP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000861733480 671988562 /nfs/dbraw/zinc/98/85/62/671988562.db2.gz XVPOIJPLSRJVCB-LKTVYLICSA-N 2 2 354.401 0.632 10 0 FCAELP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000861733480 671988566 /nfs/dbraw/zinc/98/85/66/671988566.db2.gz XVPOIJPLSRJVCB-LKTVYLICSA-N 2 2 354.401 0.632 10 0 FCAELP COc1cnc(F)c(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000861905508 672007872 /nfs/dbraw/zinc/00/78/72/672007872.db2.gz UYTQSZFXHANPGX-UHFFFAOYSA-N 2 2 355.414 0.168 10 0 FCAELP COc1cnc(F)c(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000861905508 672007875 /nfs/dbraw/zinc/00/78/75/672007875.db2.gz UYTQSZFXHANPGX-UHFFFAOYSA-N 2 2 355.414 0.168 10 0 FCAELP C[NH+]1CCC(CNC(=S)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1 ZINC000863210893 672104573 /nfs/dbraw/zinc/10/45/73/672104573.db2.gz SJFILOMVWGUDHU-GOSISDBHSA-N 2 2 370.563 0.408 10 0 FCAELP C[NH+]1CCC(CNC(=S)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)CC1 ZINC000863210893 672104575 /nfs/dbraw/zinc/10/45/75/672104575.db2.gz SJFILOMVWGUDHU-GOSISDBHSA-N 2 2 370.563 0.408 10 0 FCAELP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCN(C(=O)N(C)C)CC2(C)C)cnn1C ZINC000903909992 675981725 /nfs/dbraw/zinc/98/17/25/675981725.db2.gz ZEOOEBJCDINAEB-OAHLLOKOSA-N 2 2 350.511 0.924 10 0 FCAELP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCN(C(=O)N(C)C)CC2(C)C)cnn1C ZINC000903909992 675981728 /nfs/dbraw/zinc/98/17/28/675981728.db2.gz ZEOOEBJCDINAEB-OAHLLOKOSA-N 2 2 350.511 0.924 10 0 FCAELP CO[C@@H](C(=O)OC(C)(C)C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000865799522 672252291 /nfs/dbraw/zinc/25/22/91/672252291.db2.gz PIDJUTDBCIMOET-OAHLLOKOSA-N 2 2 357.495 0.828 10 0 FCAELP CO[C@@H](C(=O)OC(C)(C)C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000865799522 672252292 /nfs/dbraw/zinc/25/22/92/672252292.db2.gz PIDJUTDBCIMOET-OAHLLOKOSA-N 2 2 357.495 0.828 10 0 FCAELP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1cccs1 ZINC000866710493 672290624 /nfs/dbraw/zinc/29/06/24/672290624.db2.gz YOSKVRJKDVADBQ-SYQHCUMBSA-N 2 2 364.471 0.792 10 0 FCAELP C[C@@H](NC(=O)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1cccs1 ZINC000866710493 672290625 /nfs/dbraw/zinc/29/06/25/672290625.db2.gz YOSKVRJKDVADBQ-SYQHCUMBSA-N 2 2 364.471 0.792 10 0 FCAELP CCOC(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)CC1 ZINC000866717556 672292438 /nfs/dbraw/zinc/29/24/38/672292438.db2.gz IKDFUOVECJLJSN-GDBMZVCRSA-N 2 2 352.479 0.797 10 0 FCAELP CCOC(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)CC1 ZINC000866717556 672292439 /nfs/dbraw/zinc/29/24/39/672292439.db2.gz IKDFUOVECJLJSN-GDBMZVCRSA-N 2 2 352.479 0.797 10 0 FCAELP CC(C)[C@H]1CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC000868231454 672389739 /nfs/dbraw/zinc/38/97/39/672389739.db2.gz GMYPRVBBTAGAEL-MRXNPFEDSA-N 2 2 374.551 0.477 10 0 FCAELP CC(C)[C@H]1CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC[N@H+]1C ZINC000868231454 672389741 /nfs/dbraw/zinc/38/97/41/672389741.db2.gz GMYPRVBBTAGAEL-MRXNPFEDSA-N 2 2 374.551 0.477 10 0 FCAELP COc1cc(C[N@@H+]2CC[C@H](NS(=O)(=O)C3C[NH2+]C3)C2)cc(OC)c1 ZINC000923623820 672514151 /nfs/dbraw/zinc/51/41/51/672514151.db2.gz FQBISKJDXUOSEB-ZDUSSCGKSA-N 2 2 355.460 0.169 10 0 FCAELP COc1cc(C[N@H+]2CC[C@H](NS(=O)(=O)C3C[NH2+]C3)C2)cc(OC)c1 ZINC000923623820 672514153 /nfs/dbraw/zinc/51/41/53/672514153.db2.gz FQBISKJDXUOSEB-ZDUSSCGKSA-N 2 2 355.460 0.169 10 0 FCAELP C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)CC1 ZINC000872198100 672604596 /nfs/dbraw/zinc/60/45/96/672604596.db2.gz REKPGCUHQNGTEY-NVXWUHKLSA-N 2 2 350.507 0.907 10 0 FCAELP CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000925811607 673805125 /nfs/dbraw/zinc/80/51/25/673805125.db2.gz IWQSMJQYXFQFFJ-MELADBBJSA-N 2 2 351.538 0.944 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000927633322 673871425 /nfs/dbraw/zinc/87/14/25/673871425.db2.gz NTSIOWDUYVVGAN-KRWDZBQOSA-N 3 2 355.527 0.422 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000927633322 673871429 /nfs/dbraw/zinc/87/14/29/673871429.db2.gz NTSIOWDUYVVGAN-KRWDZBQOSA-N 3 2 355.527 0.422 10 0 FCAELP C[NH+](C)CCC[NH+](C)CCNC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927633322 673871433 /nfs/dbraw/zinc/87/14/33/673871433.db2.gz NTSIOWDUYVVGAN-KRWDZBQOSA-N 3 2 355.527 0.422 10 0 FCAELP C[NH+](C)CCC[NH+](C)CCNC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927633322 673871437 /nfs/dbraw/zinc/87/14/37/673871437.db2.gz NTSIOWDUYVVGAN-KRWDZBQOSA-N 3 2 355.527 0.422 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC000929566353 673964103 /nfs/dbraw/zinc/96/41/03/673964103.db2.gz AIKHFXWLSARTJA-ZIAGYGMSSA-N 2 2 365.503 0.564 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)n1 ZINC000929566353 673964104 /nfs/dbraw/zinc/96/41/04/673964104.db2.gz AIKHFXWLSARTJA-ZIAGYGMSSA-N 2 2 365.503 0.564 10 0 FCAELP 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CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC001489298703 1208730980 /nfs/dbraw/zinc/73/09/80/1208730980.db2.gz PIFXBEIGEZBESE-PBHICJAKSA-N 2 2 370.457 0.986 10 0 FCAELP CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC001489298703 1208730985 /nfs/dbraw/zinc/73/09/85/1208730985.db2.gz PIFXBEIGEZBESE-PBHICJAKSA-N 2 2 370.457 0.986 10 0 FCAELP C[C@@H]([NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2)C(N)=O ZINC001489335386 1208771024 /nfs/dbraw/zinc/77/10/24/1208771024.db2.gz MTFVLVFRSPLYFA-IJLUTSLNSA-N 2 2 365.503 0.331 10 0 FCAELP C[C@@H]([NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2)C(N)=O ZINC001489335386 1208771027 /nfs/dbraw/zinc/77/10/27/1208771027.db2.gz MTFVLVFRSPLYFA-IJLUTSLNSA-N 2 2 365.503 0.331 10 0 FCAELP C[C@H]([NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2)C(N)=O ZINC001489335387 1208771125 /nfs/dbraw/zinc/77/11/25/1208771125.db2.gz MTFVLVFRSPLYFA-QJPTWQEYSA-N 2 2 365.503 0.331 10 0 FCAELP C[C@H]([NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2)C(N)=O ZINC001489335387 1208771127 /nfs/dbraw/zinc/77/11/27/1208771127.db2.gz MTFVLVFRSPLYFA-QJPTWQEYSA-N 2 2 365.503 0.331 10 0 FCAELP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC(C)(C)C)[C@@H]2C)C1 ZINC001489312526 1208786784 /nfs/dbraw/zinc/78/67/84/1208786784.db2.gz QVJQYBYFDUGNED-QLFBSQMISA-N 2 2 354.495 0.201 10 0 FCAELP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC(C)(C)C)[C@@H]2C)C1 ZINC001489312526 1208786788 /nfs/dbraw/zinc/78/67/88/1208786788.db2.gz QVJQYBYFDUGNED-QLFBSQMISA-N 2 2 354.495 0.201 10 0 FCAELP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CC(=O)NC(C)(C)C)[C@@H]2C)C1 ZINC001489312526 1208786789 /nfs/dbraw/zinc/78/67/89/1208786789.db2.gz QVJQYBYFDUGNED-QLFBSQMISA-N 2 2 354.495 0.201 10 0 FCAELP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(C)(C)C)[C@@H]2C)C1 ZINC001489312526 1208786791 /nfs/dbraw/zinc/78/67/91/1208786791.db2.gz QVJQYBYFDUGNED-QLFBSQMISA-N 2 2 354.495 0.201 10 0 FCAELP CO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001489522241 1208877342 /nfs/dbraw/zinc/87/73/42/1208877342.db2.gz CVXHBUOMNMTNBJ-ARFHVFGLSA-N 2 2 365.478 0.518 10 0 FCAELP C[C@@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001489493724 1208889605 /nfs/dbraw/zinc/88/96/05/1208889605.db2.gz IJNMIKQESAMNPC-OAGGEKHMSA-N 2 2 368.522 0.258 10 0 FCAELP C[C@@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001489493724 1208889606 /nfs/dbraw/zinc/88/96/06/1208889606.db2.gz IJNMIKQESAMNPC-OAGGEKHMSA-N 2 2 368.522 0.258 10 0 FCAELP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001489493724 1208889607 /nfs/dbraw/zinc/88/96/07/1208889607.db2.gz IJNMIKQESAMNPC-OAGGEKHMSA-N 2 2 368.522 0.258 10 0 FCAELP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001489493724 1208889610 /nfs/dbraw/zinc/88/96/10/1208889610.db2.gz IJNMIKQESAMNPC-OAGGEKHMSA-N 2 2 368.522 0.258 10 0 FCAELP CC(C)[N@H+](C)CC(=O)N1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC001490106446 1209233346 /nfs/dbraw/zinc/23/33/46/1209233346.db2.gz GRKLOLUNHGEPND-OAGGEKHMSA-N 2 2 361.490 0.891 10 0 FCAELP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC001490106446 1209233350 /nfs/dbraw/zinc/23/33/50/1209233350.db2.gz GRKLOLUNHGEPND-OAGGEKHMSA-N 2 2 361.490 0.891 10 0 FCAELP CC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H]1C ZINC001490130790 1209261357 /nfs/dbraw/zinc/26/13/57/1209261357.db2.gz NNIWYPOXNLJCLR-VYDXJSESSA-N 2 2 361.490 0.893 10 0 FCAELP CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H]1C ZINC001490130790 1209261361 /nfs/dbraw/zinc/26/13/61/1209261361.db2.gz NNIWYPOXNLJCLR-VYDXJSESSA-N 2 2 361.490 0.893 10 0 FCAELP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001490439139 1209339848 /nfs/dbraw/zinc/33/98/48/1209339848.db2.gz CONKQSQQJOHHAR-HZPDHXFCSA-N 2 2 363.506 0.905 10 0 FCAELP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001490439139 1209339852 /nfs/dbraw/zinc/33/98/52/1209339852.db2.gz CONKQSQQJOHHAR-HZPDHXFCSA-N 2 2 363.506 0.905 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccc(-n2cncn2)nc1 ZINC000853320470 1209589465 /nfs/dbraw/zinc/58/94/65/1209589465.db2.gz BECWTWQKRRDUOU-UHFFFAOYSA-N 2 2 360.466 0.345 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccc(-n2cncn2)nc1 ZINC000853320470 1209589475 /nfs/dbraw/zinc/58/94/75/1209589475.db2.gz BECWTWQKRRDUOU-UHFFFAOYSA-N 2 2 360.466 0.345 10 0 FCAELP COc1cc(COCC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000859337379 1209817491 /nfs/dbraw/zinc/81/74/91/1209817491.db2.gz JVYYONMZPXXLMV-INIZCTEOSA-N 2 2 362.474 0.892 10 0 FCAELP COc1cc(COCC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000859337379 1209817493 /nfs/dbraw/zinc/81/74/93/1209817493.db2.gz JVYYONMZPXXLMV-INIZCTEOSA-N 2 2 362.474 0.892 10 0 FCAELP COc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866708699 1210002973 /nfs/dbraw/zinc/00/29/73/1210002973.db2.gz NVBRXKVIUNAIOQ-SHFYGJNESA-N 2 2 374.441 0.889 10 0 FCAELP COc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866708699 1210002974 /nfs/dbraw/zinc/00/29/74/1210002974.db2.gz NVBRXKVIUNAIOQ-SHFYGJNESA-N 2 2 374.441 0.889 10 0 FCAELP COc1ccccc1CNC(=O)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709637 1210003168 /nfs/dbraw/zinc/00/31/68/1210003168.db2.gz SWOTXJWXAKKBFM-UXLLHSPISA-N 2 2 374.441 0.178 10 0 FCAELP COc1ccccc1CNC(=O)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709637 1210003173 /nfs/dbraw/zinc/00/31/73/1210003173.db2.gz SWOTXJWXAKKBFM-UXLLHSPISA-N 2 2 374.441 0.178 10 0 FCAELP CO[C@@H]1CC[C@H](C)N(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000867720679 1210026072 /nfs/dbraw/zinc/02/60/72/1210026072.db2.gz JUPGQVYSTDWTFO-DOTOQJQBSA-N 2 2 368.522 0.497 10 0 FCAELP CO[C@@H]1CC[C@H](C)N(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000867720679 1210026074 /nfs/dbraw/zinc/02/60/74/1210026074.db2.gz JUPGQVYSTDWTFO-DOTOQJQBSA-N 2 2 368.522 0.497 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000867741126 1210027255 /nfs/dbraw/zinc/02/72/55/1210027255.db2.gz TVDPEJQRSBPDCW-HRCADAONSA-N 2 2 368.522 0.543 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000867741126 1210027259 /nfs/dbraw/zinc/02/72/59/1210027259.db2.gz TVDPEJQRSBPDCW-HRCADAONSA-N 2 2 368.522 0.543 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C)C(C)(C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000867741126 1210027263 /nfs/dbraw/zinc/02/72/63/1210027263.db2.gz TVDPEJQRSBPDCW-HRCADAONSA-N 2 2 368.522 0.543 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C)C(C)(C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000867741126 1210027267 /nfs/dbraw/zinc/02/72/67/1210027267.db2.gz TVDPEJQRSBPDCW-HRCADAONSA-N 2 2 368.522 0.543 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)C[C@H](C)[N@H+]1C ZINC000867844308 1210033611 /nfs/dbraw/zinc/03/36/11/1210033611.db2.gz YTEAFERHMDDSKW-IYBDPMFKSA-N 2 2 366.506 0.108 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)C[C@H](C)[N@@H+]1C ZINC000867844308 1210033614 /nfs/dbraw/zinc/03/36/14/1210033614.db2.gz YTEAFERHMDDSKW-IYBDPMFKSA-N 2 2 366.506 0.108 10 0 FCAELP COC[C@]1(C(=O)NC[C@@H]2C[N@H+](Cc3cccc(C)c3)CCO2)CC[NH2+]C1 ZINC000867997145 1210038126 /nfs/dbraw/zinc/03/81/26/1210038126.db2.gz CCGCZBDWWNTOBL-QUCCMNQESA-N 2 2 361.486 0.938 10 0 FCAELP COC[C@]1(C(=O)NC[C@@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)CC[NH2+]C1 ZINC000867997145 1210038129 /nfs/dbraw/zinc/03/81/29/1210038129.db2.gz CCGCZBDWWNTOBL-QUCCMNQESA-N 2 2 361.486 0.938 10 0 FCAELP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)C1 ZINC000868383648 1210057562 /nfs/dbraw/zinc/05/75/62/1210057562.db2.gz XCPISZPLEGSPHG-AUUYWEPGSA-N 2 2 361.490 0.960 10 0 FCAELP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000870979576 1210123957 /nfs/dbraw/zinc/12/39/57/1210123957.db2.gz PEIWMSIKKXNEQL-IAGOWNOFSA-N 2 2 363.458 0.593 10 0 FCAELP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000870979576 1210123961 /nfs/dbraw/zinc/12/39/61/1210123961.db2.gz PEIWMSIKKXNEQL-IAGOWNOFSA-N 2 2 363.458 0.593 10 0 FCAELP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871001963 1210126609 /nfs/dbraw/zinc/12/66/09/1210126609.db2.gz KGQNIJQVSDCFOL-ZACQAIPSSA-N 2 2 367.409 0.879 10 0 FCAELP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872148606 1210173449 /nfs/dbraw/zinc/17/34/49/1210173449.db2.gz FPBONBFZSMPZNK-ZRGWGRIASA-N 2 2 360.458 0.494 10 0 FCAELP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872148606 1210173464 /nfs/dbraw/zinc/17/34/64/1210173464.db2.gz FPBONBFZSMPZNK-ZRGWGRIASA-N 2 2 360.458 0.494 10 0 FCAELP CN(CCCCCC[NH3+])C(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000872191306 1210177053 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359.474 0.916 10 0 FCAELP C[N@H+]1CC[C@H](CC(=O)N2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC000941480589 1246643307 /nfs/dbraw/zinc/64/33/07/1246643307.db2.gz BYLDEYYWSNJPIV-BZUAXINKSA-N 2 2 359.474 0.916 10 0 FCAELP CCO[C@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC001327937859 1265458120 /nfs/dbraw/zinc/45/81/20/1265458120.db2.gz VARWUYWSJQSCHT-JCNLHEQBSA-N 2 2 366.506 0.345 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3C[C@@H]4[C@H](C3)C4(F)F)C2)CC1 ZINC001328034755 1265474246 /nfs/dbraw/zinc/47/42/46/1265474246.db2.gz CUZIEMFHZLJAKE-RJZRQDKASA-N 2 2 370.444 0.431 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3C[C@@H]4[C@H](C3)C4(F)F)C2)CC1 ZINC001328034755 1265474250 /nfs/dbraw/zinc/47/42/50/1265474250.db2.gz CUZIEMFHZLJAKE-RJZRQDKASA-N 2 2 370.444 0.431 10 0 FCAELP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001329982117 1265914436 /nfs/dbraw/zinc/91/44/36/1265914436.db2.gz HRDGHCGWUDRFRA-HRCADAONSA-N 2 2 368.522 0.591 10 0 FCAELP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001329982117 1265914439 /nfs/dbraw/zinc/91/44/39/1265914439.db2.gz HRDGHCGWUDRFRA-HRCADAONSA-N 2 2 368.522 0.591 10 0 FCAELP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001521934966 1266241693 /nfs/dbraw/zinc/24/16/93/1266241693.db2.gz SIFYUTKXMBEZQP-OWCLPIDISA-N 2 2 361.490 0.658 10 0 FCAELP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001521934966 1266241705 /nfs/dbraw/zinc/24/17/05/1266241705.db2.gz SIFYUTKXMBEZQP-OWCLPIDISA-N 2 2 361.490 0.658 10 0 FCAELP CC(C)[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001521938388 1266243573 /nfs/dbraw/zinc/24/35/73/1266243573.db2.gz ADUVAEAOEZAQNL-HZPDHXFCSA-N 2 2 363.506 0.904 10 0 FCAELP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001521938388 1266243580 /nfs/dbraw/zinc/24/35/80/1266243580.db2.gz ADUVAEAOEZAQNL-HZPDHXFCSA-N 2 2 363.506 0.904 10 0 FCAELP CC(C)[C@H](C(=O)NC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C)[NH+](C)C ZINC001521950442 1266253157 /nfs/dbraw/zinc/25/31/57/1266253157.db2.gz BEXIDNBYDMKGPP-IIDMSEBBSA-N 2 2 363.506 0.760 10 0 FCAELP C[C@H](CNC(=O)C(=O)NCc1ccccc1C[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001261554618 1260158790 /nfs/dbraw/zinc/15/87/90/1260158790.db2.gz IOIPFZVSSCZYGL-KFWWJZLASA-N 2 2 362.474 0.375 10 0 FCAELP C[C@H](CNC(=O)C(=O)NCc1ccccc1C[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001261554618 1260158796 /nfs/dbraw/zinc/15/87/96/1260158796.db2.gz IOIPFZVSSCZYGL-KFWWJZLASA-N 2 2 362.474 0.375 10 0 FCAELP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cn(C[C@H]4CCOC4)nn3)cn2)CC1 ZINC001261850720 1260197821 /nfs/dbraw/zinc/19/78/21/1260197821.db2.gz WMHDWSYJJKCYPP-QGZVFWFLSA-N 2 2 371.489 0.751 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)c1 ZINC001262288412 1260296796 /nfs/dbraw/zinc/29/67/96/1260296796.db2.gz CYHZKVNPNQYBNM-MRXNPFEDSA-N 2 2 358.446 0.283 10 0 FCAELP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001337313379 1260366384 /nfs/dbraw/zinc/36/63/84/1260366384.db2.gz QQNZHGRZLVVBNO-NWANDNLSSA-N 2 2 358.446 0.692 10 0 FCAELP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CCCn2cc[nH+]c2)C1 ZINC001522153684 1266377288 /nfs/dbraw/zinc/37/72/88/1266377288.db2.gz MUMJLRSAAOTKAE-NCOADZHNSA-N 2 2 359.474 0.863 10 0 FCAELP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CCCn2cc[nH+]c2)C1 ZINC001522153684 1266377299 /nfs/dbraw/zinc/37/72/99/1266377299.db2.gz MUMJLRSAAOTKAE-NCOADZHNSA-N 2 2 359.474 0.863 10 0 FCAELP CC[NH+](CC)CC(=O)NC1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001281353668 1261113760 /nfs/dbraw/zinc/11/37/60/1261113760.db2.gz DNUJZCHACYHOHU-QDIHITRGSA-N 2 2 361.490 0.971 10 0 FCAELP CC[NH+](CC)CC(=O)N1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001281616421 1261125358 /nfs/dbraw/zinc/12/53/58/1261125358.db2.gz XNSLDRQPMISQLS-HLLBOEOZSA-N 2 2 361.490 0.989 10 0 FCAELP C[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@H]21 ZINC001281631472 1261129956 /nfs/dbraw/zinc/12/99/56/1261129956.db2.gz SVHCQHDXQJVQLO-HRCADAONSA-N 2 2 359.474 0.457 10 0 FCAELP COCCCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001281637416 1261131669 /nfs/dbraw/zinc/13/16/69/1261131669.db2.gz UGUGIFZMZXXUOM-HZPDHXFCSA-N 2 2 364.490 0.893 10 0 FCAELP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001281762245 1261185770 /nfs/dbraw/zinc/18/57/70/1261185770.db2.gz WEFXBYOXRGUSHK-OWCLPIDISA-N 2 2 361.490 0.750 10 0 FCAELP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H](OC)C1 ZINC001281837497 1261221362 /nfs/dbraw/zinc/22/13/62/1261221362.db2.gz VHEVBEHSZXPFMG-FVQBIDKESA-N 2 2 365.478 0.272 10 0 FCAELP CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H](OC)C1 ZINC001281837497 1261221366 /nfs/dbraw/zinc/22/13/66/1261221366.db2.gz VHEVBEHSZXPFMG-FVQBIDKESA-N 2 2 365.478 0.272 10 0 FCAELP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H](OC)C1 ZINC001281837497 1261221369 /nfs/dbraw/zinc/22/13/69/1261221369.db2.gz VHEVBEHSZXPFMG-FVQBIDKESA-N 2 2 365.478 0.272 10 0 FCAELP CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H](OC)C1 ZINC001281837497 1261221373 /nfs/dbraw/zinc/22/13/73/1261221373.db2.gz VHEVBEHSZXPFMG-FVQBIDKESA-N 2 2 365.478 0.272 10 0 FCAELP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@H]21 ZINC001281968184 1261312805 /nfs/dbraw/zinc/31/28/05/1261312805.db2.gz VBFKNEOEGIHLEJ-BFYDXBDKSA-N 2 2 361.490 0.988 10 0 FCAELP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CCNC(=O)CCn1cc[nH+]c1 ZINC001282552200 1261523484 /nfs/dbraw/zinc/52/34/84/1261523484.db2.gz FDJRCIVBSMJMLW-BRWVUGGUSA-N 2 2 361.490 0.968 10 0 FCAELP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CCNC(=O)CCn1cc[nH+]c1 ZINC001282552200 1261523491 /nfs/dbraw/zinc/52/34/91/1261523491.db2.gz FDJRCIVBSMJMLW-BRWVUGGUSA-N 2 2 361.490 0.968 10 0 FCAELP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@]3(CNC(=O)Cc4c[nH]c[nH+]4)CCC[C@@H]23)C1 ZINC001282584547 1261541783 /nfs/dbraw/zinc/54/17/83/1261541783.db2.gz JUQKDKPWNNFHBV-ZSZQSSIHSA-N 2 2 359.474 0.791 10 0 FCAELP C[N@H+]1CC[C@H](C(=O)N2CC[C@@]3(CNC(=O)Cc4c[nH]c[nH+]4)CCC[C@@H]23)C1 ZINC001282584547 1261541785 /nfs/dbraw/zinc/54/17/85/1261541785.db2.gz JUQKDKPWNNFHBV-ZSZQSSIHSA-N 2 2 359.474 0.791 10 0 FCAELP CN(C[C@H](O)C[NH2+]Cc1ccc(C(N)=O)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001332523226 1266422161 /nfs/dbraw/zinc/42/21/61/1266422161.db2.gz VCEKSEWJYDDXHF-BZUAXINKSA-N 2 2 371.441 0.221 10 0 FCAELP CN(C[C@H](O)C[NH2+]Cc1ccc(C(N)=O)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001332523226 1266422165 /nfs/dbraw/zinc/42/21/65/1266422165.db2.gz VCEKSEWJYDDXHF-BZUAXINKSA-N 2 2 371.441 0.221 10 0 FCAELP CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001283401451 1261684138 /nfs/dbraw/zinc/68/41/38/1261684138.db2.gz VIOOVNWSCGOTOV-ARFHVFGLSA-N 2 2 361.490 0.923 10 0 FCAELP CC(C)[N@@H+](C)CC(=O)N(C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001283401451 1261684144 /nfs/dbraw/zinc/68/41/44/1261684144.db2.gz VIOOVNWSCGOTOV-ARFHVFGLSA-N 2 2 361.490 0.923 10 0 FCAELP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](NC(=O)CCc3c[nH+]cn3C)[C@H]2C)C1 ZINC001345543748 1261735651 /nfs/dbraw/zinc/73/56/51/1261735651.db2.gz BQAUZOSAFSAVKN-INMHGKMJSA-N 2 2 361.490 0.800 10 0 FCAELP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](NC(=O)CCc3c[nH+]cn3C)[C@H]2C)C1 ZINC001345543748 1261735656 /nfs/dbraw/zinc/73/56/56/1261735656.db2.gz BQAUZOSAFSAVKN-INMHGKMJSA-N 2 2 361.490 0.800 10 0 FCAELP CC[NH+](CC)CC(=O)N1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001284362286 1261751533 /nfs/dbraw/zinc/75/15/33/1261751533.db2.gz NFUFXWFCDSHIRF-ARFHVFGLSA-N 2 2 361.490 0.830 10 0 FCAELP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001284387750 1261752812 /nfs/dbraw/zinc/75/28/12/1261752812.db2.gz KDKAVZVGODKMSJ-ARFHVFGLSA-N 2 2 370.457 0.693 10 0 FCAELP CC[NH+](CC)CC(=O)N[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001284873872 1261794803 /nfs/dbraw/zinc/79/48/03/1261794803.db2.gz JFLHLFOKQYPOAK-ARFHVFGLSA-N 2 2 361.490 0.973 10 0 FCAELP CCC[N@H+](C)CC(=O)NCC1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001285259448 1261827275 /nfs/dbraw/zinc/82/72/75/1261827275.db2.gz RLNYPZFBCYSZEA-QDIHITRGSA-N 2 2 361.490 0.876 10 0 FCAELP CCC[N@@H+](C)CC(=O)NCC1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001285259448 1261827281 /nfs/dbraw/zinc/82/72/81/1261827281.db2.gz RLNYPZFBCYSZEA-QDIHITRGSA-N 2 2 361.490 0.876 10 0 FCAELP COc1cc[nH+]cc1CC(=O)NC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001285734361 1261871874 /nfs/dbraw/zinc/87/18/74/1261871874.db2.gz KOFUYZYOXKAPTE-IIAWOOMASA-N 2 2 362.474 0.936 10 0 FCAELP COc1cc[nH+]cc1CC(=O)NC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001285734361 1261871883 /nfs/dbraw/zinc/87/18/83/1261871883.db2.gz KOFUYZYOXKAPTE-IIAWOOMASA-N 2 2 362.474 0.936 10 0 FCAELP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001288957711 1262050339 /nfs/dbraw/zinc/05/03/39/1262050339.db2.gz GSRZRENUHJSXJI-HRCADAONSA-N 2 2 365.453 0.622 10 0 FCAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+]1CCCC1 ZINC001292188678 1262663290 /nfs/dbraw/zinc/66/32/90/1262663290.db2.gz NTMCQWPEBIUUCB-OIISXLGYSA-N 2 2 359.474 0.697 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@H](NC(=O)Cc2c[nH+]cn2C)C2CC2)CC[N@@H+]1C ZINC001294896671 1262748942 /nfs/dbraw/zinc/74/89/42/1262748942.db2.gz GCGBTNYYYAREDZ-YESZJQIVSA-N 2 2 361.490 0.704 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC[C@H](NC(=O)Cc2c[nH+]cn2C)C2CC2)CC[N@H+]1C ZINC001294896671 1262748945 /nfs/dbraw/zinc/74/89/45/1262748945.db2.gz GCGBTNYYYAREDZ-YESZJQIVSA-N 2 2 361.490 0.704 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)CC[N@@H+]1Cc1cnnn1C ZINC001479635662 1263282237 /nfs/dbraw/zinc/28/22/37/1263282237.db2.gz LHJUYJKQYAMVMF-OWCLPIDISA-N 2 2 354.474 0.964 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)CC[N@H+]1Cc1cnnn1C ZINC001479635662 1263282242 /nfs/dbraw/zinc/28/22/42/1263282242.db2.gz LHJUYJKQYAMVMF-OWCLPIDISA-N 2 2 354.474 0.964 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CC(=O)NC(=O)NC ZINC001479639487 1263288012 /nfs/dbraw/zinc/28/80/12/1263288012.db2.gz CGCDUMVFRQHJSW-UONOGXRCSA-N 2 2 367.494 0.286 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CC(=O)NC(=O)NC ZINC001479639487 1263288015 /nfs/dbraw/zinc/28/80/15/1263288015.db2.gz CGCDUMVFRQHJSW-UONOGXRCSA-N 2 2 367.494 0.286 10 0 FCAELP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)[C@@H]1CC)[NH+](CC)CC ZINC001479641872 1263291016 /nfs/dbraw/zinc/29/10/16/1263291016.db2.gz QKXQKANWDRGTTF-RRFJBIMHSA-N 2 2 366.510 0.698 10 0 FCAELP CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)[C@@H]1CC)[NH+](CC)CC ZINC001479641872 1263291025 /nfs/dbraw/zinc/29/10/25/1263291025.db2.gz QKXQKANWDRGTTF-RRFJBIMHSA-N 2 2 366.510 0.698 10 0 FCAELP Cc1cc(C[NH+](C)CCOCCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)nn1C ZINC001479677652 1263343805 /nfs/dbraw/zinc/34/38/05/1263343805.db2.gz WZTIAHIJPZDYEN-SJLPKXTDSA-N 2 2 365.522 0.976 10 0 FCAELP Cc1cc(C[NH+](C)CCOCCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)nn1C ZINC001479677652 1263343812 /nfs/dbraw/zinc/34/38/12/1263343812.db2.gz WZTIAHIJPZDYEN-SJLPKXTDSA-N 2 2 365.522 0.976 10 0 FCAELP Cc1cc(C[N@@H+](C)CCOCCN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)nn1C ZINC001479677652 1263343823 /nfs/dbraw/zinc/34/38/23/1263343823.db2.gz WZTIAHIJPZDYEN-SJLPKXTDSA-N 2 2 365.522 0.976 10 0 FCAELP Cc1cc(C[N@H+](C)CCOCCN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)nn1C ZINC001479677652 1263343836 /nfs/dbraw/zinc/34/38/36/1263343836.db2.gz WZTIAHIJPZDYEN-SJLPKXTDSA-N 2 2 365.522 0.976 10 0 FCAELP CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1C ZINC001479714395 1263376936 /nfs/dbraw/zinc/37/69/36/1263376936.db2.gz IMOIPZKYUFFTTQ-OWCLPIDISA-N 2 2 359.536 0.873 10 0 FCAELP CC(C)S(=O)(=O)CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1C ZINC001479714395 1263376944 /nfs/dbraw/zinc/37/69/44/1263376944.db2.gz IMOIPZKYUFFTTQ-OWCLPIDISA-N 2 2 359.536 0.873 10 0 FCAELP CC(C)S(=O)(=O)CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001479714395 1263376951 /nfs/dbraw/zinc/37/69/51/1263376951.db2.gz IMOIPZKYUFFTTQ-OWCLPIDISA-N 2 2 359.536 0.873 10 0 FCAELP CC(C)S(=O)(=O)CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001479714395 1263376954 /nfs/dbraw/zinc/37/69/54/1263376954.db2.gz IMOIPZKYUFFTTQ-OWCLPIDISA-N 2 2 359.536 0.873 10 0 FCAELP C[C@H](c1nnnn1C)[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001316643829 1263391029 /nfs/dbraw/zinc/39/10/29/1263391029.db2.gz HOWNSBBYFCSYRV-HYVNUMGLSA-N 2 2 371.489 0.807 10 0 FCAELP C[C@H](c1nnnn1C)[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001316643829 1263391044 /nfs/dbraw/zinc/39/10/44/1263391044.db2.gz HOWNSBBYFCSYRV-HYVNUMGLSA-N 2 2 371.489 0.807 10 0 FCAELP CCCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001479727186 1263402641 /nfs/dbraw/zinc/40/26/41/1263402641.db2.gz FHOOBJBDVCLCEL-BBWFWOEESA-N 2 2 368.522 0.450 10 0 FCAELP CCCCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001479727186 1263402643 /nfs/dbraw/zinc/40/26/43/1263402643.db2.gz FHOOBJBDVCLCEL-BBWFWOEESA-N 2 2 368.522 0.450 10 0 FCAELP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC001479727555 1263402715 /nfs/dbraw/zinc/40/27/15/1263402715.db2.gz MZJXAIROGBNQFL-CABCVRRESA-N 2 2 367.494 0.287 10 0 FCAELP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC001479727555 1263402718 /nfs/dbraw/zinc/40/27/18/1263402718.db2.gz MZJXAIROGBNQFL-CABCVRRESA-N 2 2 367.494 0.287 10 0 FCAELP COCCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cnn(C)c1 ZINC001316679989 1263417861 /nfs/dbraw/zinc/41/78/61/1263417861.db2.gz PMDCDEFEILECCU-DLBZAZTESA-N 2 2 360.462 0.627 10 0 FCAELP O=C(C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)NCC(F)(F)F ZINC001480111998 1263423962 /nfs/dbraw/zinc/42/39/62/1263423962.db2.gz VAVSKBWDQLZAMJ-HBNTYKKESA-N 2 2 359.352 0.382 10 0 FCAELP COCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001480149588 1263424644 /nfs/dbraw/zinc/42/46/44/1263424644.db2.gz FZKXHUZSNKALBK-VQHPVUNQSA-N 2 2 355.479 0.140 10 0 FCAELP O=C(NCC[NH2+]CCCF)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001480609380 1263434017 /nfs/dbraw/zinc/43/40/17/1263434017.db2.gz VAYOSPLMVZIGRX-RRFJBIMHSA-N 2 2 365.453 0.817 10 0 FCAELP O=C(NCC[NH2+]CCCF)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001480609380 1263434022 /nfs/dbraw/zinc/43/40/22/1263434022.db2.gz VAYOSPLMVZIGRX-RRFJBIMHSA-N 2 2 365.453 0.817 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC(=O)N2CCCC2)C1 ZINC001480665309 1263435034 /nfs/dbraw/zinc/43/50/34/1263435034.db2.gz KZOZYHDGBDJZIW-ARFHVFGLSA-N 2 2 359.474 0.584 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC[N@@H+]1CC(=O)NC(=O)NC ZINC001316742202 1263449772 /nfs/dbraw/zinc/44/97/72/1263449772.db2.gz LREJVRPPJPFVIV-RRFJBIMHSA-N 2 2 367.494 0.286 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC[N@H+]1CC(=O)NC(=O)NC ZINC001316742202 1263449775 /nfs/dbraw/zinc/44/97/75/1263449775.db2.gz LREJVRPPJPFVIV-RRFJBIMHSA-N 2 2 367.494 0.286 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC[NH+]1CC(=O)NC(=O)NC ZINC001316742202 1263449777 /nfs/dbraw/zinc/44/97/77/1263449777.db2.gz LREJVRPPJPFVIV-RRFJBIMHSA-N 2 2 367.494 0.286 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC[NH+]1CC(=O)NC(=O)NC ZINC001316742202 1263449778 /nfs/dbraw/zinc/44/97/78/1263449778.db2.gz LREJVRPPJPFVIV-RRFJBIMHSA-N 2 2 367.494 0.286 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[NH+](Cc3cc4n(n3)CCC4)C2)CC[N@@H+]1C ZINC001484217220 1263458915 /nfs/dbraw/zinc/45/89/15/1263458915.db2.gz QGDQTCLHIVMXEV-LSBZLQRGSA-N 2 2 361.490 0.223 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[NH+](Cc3cc4n(n3)CCC4)C2)CC[N@H+]1C ZINC001484217220 1263458922 /nfs/dbraw/zinc/45/89/22/1263458922.db2.gz QGDQTCLHIVMXEV-LSBZLQRGSA-N 2 2 361.490 0.223 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[N@H+](Cc3cc4n(n3)CCC4)C2)CC[NH+]1C ZINC001484217220 1263458925 /nfs/dbraw/zinc/45/89/25/1263458925.db2.gz QGDQTCLHIVMXEV-LSBZLQRGSA-N 2 2 361.490 0.223 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[N@@H+](Cc3cc4n(n3)CCC4)C2)CC[NH+]1C ZINC001484217220 1263458931 /nfs/dbraw/zinc/45/89/31/1263458931.db2.gz QGDQTCLHIVMXEV-LSBZLQRGSA-N 2 2 361.490 0.223 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1CC(=O)NC(C1CC1)C1CC1 ZINC001316778673 1263469351 /nfs/dbraw/zinc/46/93/51/1263469351.db2.gz TVYJISJJOFTWJN-COXVUDFISA-N 2 2 362.518 0.964 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1CC(=O)NC(C1CC1)C1CC1 ZINC001316778673 1263469355 /nfs/dbraw/zinc/46/93/55/1263469355.db2.gz TVYJISJJOFTWJN-COXVUDFISA-N 2 2 362.518 0.964 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1CC(=O)NC(C1CC1)C1CC1 ZINC001316778673 1263469360 /nfs/dbraw/zinc/46/93/60/1263469360.db2.gz TVYJISJJOFTWJN-COXVUDFISA-N 2 2 362.518 0.964 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1CC(=O)NC(C1CC1)C1CC1 ZINC001316778673 1263469365 /nfs/dbraw/zinc/46/93/65/1263469365.db2.gz TVYJISJJOFTWJN-COXVUDFISA-N 2 2 362.518 0.964 10 0 FCAELP CC(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CCO1 ZINC001484683676 1263483124 /nfs/dbraw/zinc/48/31/24/1263483124.db2.gz IACROOJOBGFLEI-SQNIBIBYSA-N 2 2 369.506 0.339 10 0 FCAELP CCOCCC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001485023491 1263495750 /nfs/dbraw/zinc/49/57/50/1263495750.db2.gz IHINXKPAZQXDRV-HZPDHXFCSA-N 2 2 364.490 0.893 10 0 FCAELP O=C(C[NH2+]CC1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)Nc1ccon1 ZINC001485093977 1263497536 /nfs/dbraw/zinc/49/75/36/1263497536.db2.gz NPINHCBSIDWCCJ-FIYWTHMPSA-N 2 2 358.402 0.624 10 0 FCAELP O=C(C[NH2+]CC1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)Nc1ccon1 ZINC001485093977 1263497543 /nfs/dbraw/zinc/49/75/43/1263497543.db2.gz NPINHCBSIDWCCJ-FIYWTHMPSA-N 2 2 358.402 0.624 10 0 FCAELP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001317148578 1263502143 /nfs/dbraw/zinc/50/21/43/1263502143.db2.gz CZZRWPCHCUPBRE-RRFJBIMHSA-N 2 2 360.462 0.367 10 0 FCAELP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001317148578 1263502154 /nfs/dbraw/zinc/50/21/54/1263502154.db2.gz CZZRWPCHCUPBRE-RRFJBIMHSA-N 2 2 360.462 0.367 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CC(=O)Nc2cc(C)nn2C)CC[N@@H+]1C ZINC001317445578 1263511449 /nfs/dbraw/zinc/51/14/49/1263511449.db2.gz BXOPSFPXPSTSCQ-LSDHHAIUSA-N 2 2 364.494 0.445 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CC(=O)Nc2cc(C)nn2C)CC[N@H+]1C ZINC001317445578 1263511453 /nfs/dbraw/zinc/51/14/53/1263511453.db2.gz BXOPSFPXPSTSCQ-LSDHHAIUSA-N 2 2 364.494 0.445 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](C)CC(=O)Nc2cc(C)nn2C)CC[NH+]1C ZINC001317445578 1263511460 /nfs/dbraw/zinc/51/14/60/1263511460.db2.gz BXOPSFPXPSTSCQ-LSDHHAIUSA-N 2 2 364.494 0.445 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](C)CC(=O)Nc2cc(C)nn2C)CC[NH+]1C ZINC001317445578 1263511467 /nfs/dbraw/zinc/51/14/67/1263511467.db2.gz BXOPSFPXPSTSCQ-LSDHHAIUSA-N 2 2 364.494 0.445 10 0 FCAELP CN(CC[NH2+]CCc1nnn(C(C)(C)C)n1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001317598726 1263515298 /nfs/dbraw/zinc/51/52/98/1263515298.db2.gz VVVYJCOCJFTBNQ-CHWSQXEVSA-N 2 2 360.466 0.545 10 0 FCAELP CN(CC[NH2+]CCc1nnn(C(C)(C)C)n1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001317598726 1263515303 /nfs/dbraw/zinc/51/53/03/1263515303.db2.gz VVVYJCOCJFTBNQ-CHWSQXEVSA-N 2 2 360.466 0.545 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc2nc(COC)no2)CC[N@@H+]1C ZINC001485876673 1263517648 /nfs/dbraw/zinc/51/76/48/1263517648.db2.gz JAOBAGWLVRAIHE-HZSPNIEDSA-N 2 2 353.467 0.883 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc2nc(COC)no2)CC[N@H+]1C ZINC001485876673 1263517651 /nfs/dbraw/zinc/51/76/51/1263517651.db2.gz JAOBAGWLVRAIHE-HZSPNIEDSA-N 2 2 353.467 0.883 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH+](C)Cc2ncc(C)o2)CC[N@@H+]1C ZINC001486338076 1263533147 /nfs/dbraw/zinc/53/31/47/1263533147.db2.gz RSNBXTFALKGOLG-HRCADAONSA-N 2 2 352.479 0.964 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH+](C)Cc2ncc(C)o2)CC[N@H+]1C ZINC001486338076 1263533152 /nfs/dbraw/zinc/53/31/52/1263533152.db2.gz RSNBXTFALKGOLG-HRCADAONSA-N 2 2 352.479 0.964 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc2ncc(C)o2)CC[NH+]1C ZINC001486338076 1263533159 /nfs/dbraw/zinc/53/31/59/1263533159.db2.gz RSNBXTFALKGOLG-HRCADAONSA-N 2 2 352.479 0.964 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc2ncc(C)o2)CC[NH+]1C ZINC001486338076 1263533162 /nfs/dbraw/zinc/53/31/62/1263533162.db2.gz RSNBXTFALKGOLG-HRCADAONSA-N 2 2 352.479 0.964 10 0 FCAELP CN(C[C@@H](O)C[N@H+](C)Cc1cccnc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001486350596 1263535253 /nfs/dbraw/zinc/53/52/53/1263535253.db2.gz LHFSKGKEETUJAN-GVDBMIGSSA-N 2 2 357.458 0.870 10 0 FCAELP CN(C[C@@H](O)C[N@@H+](C)Cc1cccnc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001486350596 1263535261 /nfs/dbraw/zinc/53/52/61/1263535261.db2.gz LHFSKGKEETUJAN-GVDBMIGSSA-N 2 2 357.458 0.870 10 0 FCAELP CC(C)N(CC[N@H+](C)[C@H]1CCCNC1=O)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001486375642 1263536512 /nfs/dbraw/zinc/53/65/12/1263536512.db2.gz MNWPPQZNOLPFPQ-OAGGEKHMSA-N 2 2 361.490 0.971 10 0 FCAELP CC(C)N(CC[N@@H+](C)[C@H]1CCCNC1=O)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001486375642 1263536515 /nfs/dbraw/zinc/53/65/15/1263536515.db2.gz MNWPPQZNOLPFPQ-OAGGEKHMSA-N 2 2 361.490 0.971 10 0 FCAELP Cn1cc(C[NH2+]C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C)nn1 ZINC001486413798 1263539243 /nfs/dbraw/zinc/53/92/43/1263539243.db2.gz PFWRYNAZVQYKOG-IIAWOOMASA-N 2 2 359.478 0.973 10 0 FCAELP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]Cc1cc(=O)n2nccc2[nH]1 ZINC001318538955 1263585553 /nfs/dbraw/zinc/58/55/53/1263585553.db2.gz XLSIJSQSDWNJIU-IACUBPJLSA-N 2 2 369.429 0.534 10 0 FCAELP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]Cc1cc(=O)n2nccc2[nH]1 ZINC001318538955 1263585555 /nfs/dbraw/zinc/58/55/55/1263585555.db2.gz XLSIJSQSDWNJIU-IACUBPJLSA-N 2 2 369.429 0.534 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCCCNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@@H+]1C ZINC001491719911 1263615445 /nfs/dbraw/zinc/61/54/45/1263615445.db2.gz NVXXMPRCDNNYBV-BHYGNILZSA-N 2 2 361.490 0.798 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCCCNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@H+]1C ZINC001491719911 1263615453 /nfs/dbraw/zinc/61/54/53/1263615453.db2.gz NVXXMPRCDNNYBV-BHYGNILZSA-N 2 2 361.490 0.798 10 0 FCAELP CS(=O)(=O)CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001491811386 1263625745 /nfs/dbraw/zinc/62/57/45/1263625745.db2.gz VPUUHSOQTBUWFI-BFHYXJOUSA-N 2 2 354.476 0.386 10 0 FCAELP CS(=O)(=O)CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001491811386 1263625756 /nfs/dbraw/zinc/62/57/56/1263625756.db2.gz VPUUHSOQTBUWFI-BFHYXJOUSA-N 2 2 354.476 0.386 10 0 FCAELP CN(C)C(=O)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001319779359 1263730659 /nfs/dbraw/zinc/73/06/59/1263730659.db2.gz SLZSAAVCTVMZMY-ARFHVFGLSA-N 2 2 361.490 0.973 10 0 FCAELP CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](CC(=O)NC(=O)NC)C1 ZINC001493950569 1263746645 /nfs/dbraw/zinc/74/66/45/1263746645.db2.gz KQAGTSZIQMXMHW-QLFBSQMISA-N 2 2 367.494 0.095 10 0 FCAELP CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](CC(=O)NC(=O)NC)C1 ZINC001493950569 1263746649 /nfs/dbraw/zinc/74/66/49/1263746649.db2.gz KQAGTSZIQMXMHW-QLFBSQMISA-N 2 2 367.494 0.095 10 0 FCAELP CCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](CC(=O)NC(=O)NC)C1 ZINC001493950569 1263746653 /nfs/dbraw/zinc/74/66/53/1263746653.db2.gz KQAGTSZIQMXMHW-QLFBSQMISA-N 2 2 367.494 0.095 10 0 FCAELP 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CCc1noc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)n1 ZINC001571579973 1269939047 /nfs/dbraw/zinc/93/90/47/1269939047.db2.gz GGPSSECYMWDPDX-MELADBBJSA-N 2 2 353.467 0.271 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](C[NH2+]CC(=O)N1CCC1)C(C)(C)C ZINC001571633951 1269948439 /nfs/dbraw/zinc/94/84/39/1269948439.db2.gz YRZYERKCANWRMD-FMKPAKJESA-N 2 2 361.490 0.876 10 0 FCAELP CC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001573070230 1270591601 /nfs/dbraw/zinc/59/16/01/1270591601.db2.gz GXZAINXSYVRUQN-YFHUEUNASA-N 2 2 373.501 0.925 10 0 FCAELP CC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001573070230 1270591602 /nfs/dbraw/zinc/59/16/02/1270591602.db2.gz GXZAINXSYVRUQN-YFHUEUNASA-N 2 2 373.501 0.925 10 0 FCAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001573087072 1270603981 /nfs/dbraw/zinc/60/39/81/1270603981.db2.gz JWVDEMJIGGGHAW-DJIMGWMZSA-N 2 2 361.490 0.848 10 0 FCAELP 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C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCN1C(=O)COCC[NH+](C)C ZINC001573527334 1270815146 /nfs/dbraw/zinc/81/51/46/1270815146.db2.gz YNAHGXVMAKPXHJ-TUVASFSCSA-N 2 2 363.462 0.197 10 0 FCAELP C[NH+](C)CC1(C(=O)N2C[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@]3(C)C2)CC1 ZINC001573759135 1270871726 /nfs/dbraw/zinc/87/17/26/1270871726.db2.gz HRNMGWBRLYRWFZ-KBXCAEBGSA-N 2 2 359.474 0.601 10 0 FCAELP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001574065060 1271054632 /nfs/dbraw/zinc/05/46/32/1271054632.db2.gz AIKDDOSMWAMDKC-GDBMZVCRSA-N 2 2 361.490 0.895 10 0 FCAELP CC[NH+](CC)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH+]cn1C)C2 ZINC001574558188 1271355175 /nfs/dbraw/zinc/35/51/75/1271355175.db2.gz XYMGHMZDYGYRNQ-OIISXLGYSA-N 2 2 361.490 0.943 10 0 FCAELP CN(CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001577072390 1274134541 /nfs/dbraw/zinc/13/45/41/1274134541.db2.gz BTFRRBSSFQWJAD-BZUAXINKSA-N 2 2 359.474 0.820 10 0 FCAELP CN(CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001577072390 1274134550 /nfs/dbraw/zinc/13/45/50/1274134550.db2.gz BTFRRBSSFQWJAD-BZUAXINKSA-N 2 2 359.474 0.820 10 0 FCAELP CCOCC[NH+]1CCN(CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001713744160 1287296082 /nfs/dbraw/zinc/29/60/82/1287296082.db2.gz JYXXASNXSIVDQO-IAGOWNOFSA-N 2 2 363.506 0.636 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCN(Cc3coc(C)n3)CC2)CC[N@@H+]1C ZINC001713806702 1287299792 /nfs/dbraw/zinc/29/97/92/1287299792.db2.gz MMNYPDFTURXDSX-ZWKOTPCHSA-N 2 2 363.506 0.947 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCN(Cc3coc(C)n3)CC2)CC[N@H+]1C ZINC001713806702 1287299793 /nfs/dbraw/zinc/29/97/93/1287299793.db2.gz MMNYPDFTURXDSX-ZWKOTPCHSA-N 2 2 363.506 0.947 10 0 FCAELP C[C@H](C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)CS(C)(=O)=O ZINC001713994494 1287308666 /nfs/dbraw/zinc/30/86/66/1287308666.db2.gz QUOIJLNRKMZTQZ-RKQHYHRCSA-N 2 2 354.476 0.431 10 0 FCAELP C[C@H](C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)CS(C)(=O)=O ZINC001713994494 1287308668 /nfs/dbraw/zinc/30/86/68/1287308668.db2.gz QUOIJLNRKMZTQZ-RKQHYHRCSA-N 2 2 354.476 0.431 10 0 FCAELP NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001714519672 1287324421 /nfs/dbraw/zinc/32/44/21/1287324421.db2.gz DUKKEYQPYSTOBW-YNEHKIRRSA-N 2 2 362.434 0.069 10 0 FCAELP NC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001714519672 1287324424 /nfs/dbraw/zinc/32/44/24/1287324424.db2.gz DUKKEYQPYSTOBW-YNEHKIRRSA-N 2 2 362.434 0.069 10 0 FCAELP Cn1ncc(C[NH2+]C/C=C/CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)n1 ZINC001715869544 1287364305 /nfs/dbraw/zinc/36/43/05/1287364305.db2.gz AFFSXWMDEYHORR-KAGICYHLSA-N 2 2 368.485 0.923 10 0 FCAELP Cn1ncc(C[NH2+]C/C=C/CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)n1 ZINC001715869544 1287364309 /nfs/dbraw/zinc/36/43/09/1287364309.db2.gz AFFSXWMDEYHORR-KAGICYHLSA-N 2 2 368.485 0.923 10 0 FCAELP C[C@]1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC[N@H+](CCOCCO)C1 ZINC001716896141 1287393388 /nfs/dbraw/zinc/39/33/88/1287393388.db2.gz RBZOAJFJISQDID-IIDMSEBBSA-N 2 2 350.463 0.740 10 0 FCAELP C[C@]1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC[N@@H+](CCOCCO)C1 ZINC001716896141 1287393392 /nfs/dbraw/zinc/39/33/92/1287393392.db2.gz RBZOAJFJISQDID-IIDMSEBBSA-N 2 2 350.463 0.740 10 0 FCAELP C[C@]1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC[N@H+](CCOCCO)C1 ZINC001716896141 1287393398 /nfs/dbraw/zinc/39/33/98/1287393398.db2.gz RBZOAJFJISQDID-IIDMSEBBSA-N 2 2 350.463 0.740 10 0 FCAELP C[C@]1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC[N@@H+](CCOCCO)C1 ZINC001716896141 1287393402 /nfs/dbraw/zinc/39/34/02/1287393402.db2.gz RBZOAJFJISQDID-IIDMSEBBSA-N 2 2 350.463 0.740 10 0 FCAELP CC(C)COCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001716920768 1287394069 /nfs/dbraw/zinc/39/40/69/1287394069.db2.gz CFLVMIZMUHGOOF-RKVPGOIHSA-N 2 2 350.463 0.739 10 0 FCAELP CC(C)COCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001716920768 1287394075 /nfs/dbraw/zinc/39/40/75/1287394075.db2.gz CFLVMIZMUHGOOF-RKVPGOIHSA-N 2 2 350.463 0.739 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC2(CO)CC[NH+](Cc3nccs3)CC2)CC[N@@H+]1C ZINC001717350792 1287419424 /nfs/dbraw/zinc/41/94/24/1287419424.db2.gz RCWFVSWKHLFPIH-ZIAGYGMSSA-N 2 2 352.504 0.926 10 0 FCAELP C[C@@H]1[C@H](C(=O)NC2(CO)CC[NH+](Cc3nccs3)CC2)CC[N@H+]1C ZINC001717350792 1287419431 /nfs/dbraw/zinc/41/94/31/1287419431.db2.gz RCWFVSWKHLFPIH-ZIAGYGMSSA-N 2 2 352.504 0.926 10 0 FCAELP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)CC(=O)Nc1nncs1 ZINC001717472591 1287424348 /nfs/dbraw/zinc/42/43/48/1287424348.db2.gz MAXYPJDKZUYKRK-IJLUTSLNSA-N 2 2 354.480 0.253 10 0 FCAELP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)CC(=O)Nc1nncs1 ZINC001717472591 1287424354 /nfs/dbraw/zinc/42/43/54/1287424354.db2.gz MAXYPJDKZUYKRK-IJLUTSLNSA-N 2 2 354.480 0.253 10 0 FCAELP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@H+](C)CC(=O)Nc1nncs1 ZINC001717472591 1287424363 /nfs/dbraw/zinc/42/43/63/1287424363.db2.gz MAXYPJDKZUYKRK-IJLUTSLNSA-N 2 2 354.480 0.253 10 0 FCAELP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@@H+](C)CC(=O)Nc1nncs1 ZINC001717472591 1287424369 /nfs/dbraw/zinc/42/43/69/1287424369.db2.gz MAXYPJDKZUYKRK-IJLUTSLNSA-N 2 2 354.480 0.253 10 0 FCAELP CC(C)NC(=O)NCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001717740836 1287433533 /nfs/dbraw/zinc/43/35/33/1287433533.db2.gz HNMRKRIORCLYLO-RRFJBIMHSA-N 2 2 364.494 0.668 10 0 FCAELP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc2nnc(C(C)(C)C)o2)CC[N@@H+]1C ZINC001717917006 1287443252 /nfs/dbraw/zinc/44/32/52/1287443252.db2.gz HWZKJVLITPNEFR-HZSPNIEDSA-N 2 2 367.494 0.616 10 0 FCAELP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc2nnc(C(C)(C)C)o2)CC[N@H+]1C ZINC001717917006 1287443258 /nfs/dbraw/zinc/44/32/58/1287443258.db2.gz HWZKJVLITPNEFR-HZSPNIEDSA-N 2 2 367.494 0.616 10 0 FCAELP 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COCCOCC[NH+]1CCN(C(=O)[C@@H]2CCN(c3cc[nH+]cc3)C2)CC1 ZINC001654737533 1291431987 /nfs/dbraw/zinc/43/19/87/1291431987.db2.gz DXDHKOWZNKQXKA-QGZVFWFLSA-N 2 2 362.474 0.715 10 0 FCAELP CC(C)CNC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001656368910 1291515934 /nfs/dbraw/zinc/51/59/34/1291515934.db2.gz BQELHFLMQIFLQA-HRCADAONSA-N 2 2 363.506 0.998 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001656969755 1291583887 /nfs/dbraw/zinc/58/38/87/1291583887.db2.gz GXVVOSZUDPPCOW-OCCSQVGLSA-N 2 2 367.494 0.413 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[N@H+]1CC(=O)NC(N)=O ZINC001656969755 1291583892 /nfs/dbraw/zinc/58/38/92/1291583892.db2.gz GXVVOSZUDPPCOW-OCCSQVGLSA-N 2 2 367.494 0.413 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[NH+]1CC(=O)NC(N)=O ZINC001656969755 1291583899 /nfs/dbraw/zinc/58/38/99/1291583899.db2.gz GXVVOSZUDPPCOW-OCCSQVGLSA-N 2 2 367.494 0.413 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[NH+]1CC(=O)NC(N)=O ZINC001656969755 1291583905 /nfs/dbraw/zinc/58/39/05/1291583905.db2.gz GXVVOSZUDPPCOW-OCCSQVGLSA-N 2 2 367.494 0.413 10 0 FCAELP CC(C)OCCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001660988092 1291679196 /nfs/dbraw/zinc/67/91/96/1291679196.db2.gz FWDYIVKFIWGRLL-BRWVUGGUSA-N 2 2 368.522 0.448 10 0 FCAELP CC(C)OCCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001660988092 1291679206 /nfs/dbraw/zinc/67/92/06/1291679206.db2.gz FWDYIVKFIWGRLL-BRWVUGGUSA-N 2 2 368.522 0.448 10 0 FCAELP CC(C)OCCCNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001660988092 1291679209 /nfs/dbraw/zinc/67/92/09/1291679209.db2.gz FWDYIVKFIWGRLL-BRWVUGGUSA-N 2 2 368.522 0.448 10 0 FCAELP CC(C)OCCCNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001660988092 1291679216 /nfs/dbraw/zinc/67/92/16/1291679216.db2.gz FWDYIVKFIWGRLL-BRWVUGGUSA-N 2 2 368.522 0.448 10 0 FCAELP Cc1nc(C[NH2+][C@]2(CO)CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)co1 ZINC001673672009 1292119061 /nfs/dbraw/zinc/11/90/61/1292119061.db2.gz RAMYRZBBBSBGLG-MZMPZRCHSA-N 2 2 350.463 0.766 10 0 FCAELP Cc1nc(C[NH2+][C@]2(CO)CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)co1 ZINC001673672009 1292119064 /nfs/dbraw/zinc/11/90/64/1292119064.db2.gz RAMYRZBBBSBGLG-MZMPZRCHSA-N 2 2 350.463 0.766 10 0 FCAELP C[NH+](C)CCCC(=O)N1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001685550985 1292555171 /nfs/dbraw/zinc/55/51/71/1292555171.db2.gz AOOGNRYSWJHSNN-APWZRJJASA-N 2 2 361.490 0.922 10 0 FCAELP CC[NH+](CC)C[C@@H](F)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C2 ZINC001686106708 1292770098 /nfs/dbraw/zinc/77/00/98/1292770098.db2.gz JWPVLZANUCFXAG-WCVJEAGWSA-N 2 2 365.453 0.880 10 0 FCAELP C[C@@H]1C[N@@H+](C2CCN(C(=O)NCCC[NH+]3CCOCC3)CC2)CCO1 ZINC000079565977 835999433 /nfs/dbraw/zinc/99/94/33/835999433.db2.gz LZMUJLNXCIVQSC-MRXNPFEDSA-N 2 2 354.495 0.603 10 0 FCAELP C[C@@H]1C[N@H+](C2CCN(C(=O)NCCC[NH+]3CCOCC3)CC2)CCO1 ZINC000079565977 835999441 /nfs/dbraw/zinc/99/94/41/835999441.db2.gz LZMUJLNXCIVQSC-MRXNPFEDSA-N 2 2 354.495 0.603 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CO[NH+]=C(N)C2CCOCC2)C1 ZINC000749794860 836386202 /nfs/dbraw/zinc/38/62/02/836386202.db2.gz KKHJISQCIZFVCG-OAHLLOKOSA-N 2 2 356.467 0.384 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CO[NH+]=C(N)C2CCOCC2)C1 ZINC000749794860 836386214 /nfs/dbraw/zinc/38/62/14/836386214.db2.gz KKHJISQCIZFVCG-OAHLLOKOSA-N 2 2 356.467 0.384 10 0 FCAELP CN(CCC[NH2+]C[C@@H]1CCCS(=O)(=O)C1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001276058045 861307622 /nfs/dbraw/zinc/30/76/22/861307622.db2.gz OMARVWASEALZIW-RRFJBIMHSA-N 2 2 368.503 0.776 10 0 FCAELP CN(CCC[NH2+]C[C@@H]1CCCS(=O)(=O)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001276058045 861307637 /nfs/dbraw/zinc/30/76/37/861307637.db2.gz OMARVWASEALZIW-RRFJBIMHSA-N 2 2 368.503 0.776 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC(CC2CC2)C1 ZINC001118823356 847593093 /nfs/dbraw/zinc/59/30/93/847593093.db2.gz IMUGXRMSFJHGQB-UHFFFAOYSA-N 2 2 350.507 0.729 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC(CC2CC2)C1 ZINC001118823356 847593096 /nfs/dbraw/zinc/59/30/96/847593096.db2.gz IMUGXRMSFJHGQB-UHFFFAOYSA-N 2 2 350.507 0.729 10 0 FCAELP Cc1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cn1 ZINC001119606151 847907899 /nfs/dbraw/zinc/90/78/99/847907899.db2.gz KTMKXTGJPYMKKL-IYBDPMFKSA-N 2 2 350.488 0.979 10 0 FCAELP Cc1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cn1 ZINC001119606151 847907905 /nfs/dbraw/zinc/90/79/05/847907905.db2.gz KTMKXTGJPYMKKL-IYBDPMFKSA-N 2 2 350.488 0.979 10 0 FCAELP CC[NH+]1CCC(NC(=O)C(=O)NCc2nc(C[NH+](C)C)cs2)CC1 ZINC001119740476 847958689 /nfs/dbraw/zinc/95/86/89/847958689.db2.gz KPTBZAFCBKMENI-UHFFFAOYSA-N 2 2 353.492 0.421 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)n1 ZINC001119798409 847982650 /nfs/dbraw/zinc/98/26/50/847982650.db2.gz CTPNTKBSPNGYSN-KBPBESRZSA-N 2 2 367.519 0.810 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CN(C(=O)C(C)(C)C)CCO1 ZINC001146890340 849569321 /nfs/dbraw/zinc/56/93/21/849569321.db2.gz FOVHFYBFVWQMMA-HNNXBMFYSA-N 2 2 356.511 0.260 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CN(C(=O)C(C)(C)C)CCO1 ZINC001146890340 849569327 /nfs/dbraw/zinc/56/93/27/849569327.db2.gz FOVHFYBFVWQMMA-HNNXBMFYSA-N 2 2 356.511 0.260 10 0 FCAELP CCOCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001279508765 862926700 /nfs/dbraw/zinc/92/67/00/862926700.db2.gz FXNXNVDNCAXUPK-RKVPGOIHSA-N 2 2 350.463 0.503 10 0 FCAELP CCOCC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001279508765 862926713 /nfs/dbraw/zinc/92/67/13/862926713.db2.gz FXNXNVDNCAXUPK-RKVPGOIHSA-N 2 2 350.463 0.503 10 0 FCAELP CS(=O)(=O)CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001263904748 859233658 /nfs/dbraw/zinc/23/36/58/859233658.db2.gz CJAXFDFWXGRXDG-GBJTYRQASA-N 2 2 368.503 0.822 10 0 FCAELP CS(=O)(=O)CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001263904748 859233670 /nfs/dbraw/zinc/23/36/70/859233670.db2.gz CJAXFDFWXGRXDG-GBJTYRQASA-N 2 2 368.503 0.822 10 0 FCAELP COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC001264141544 859322544 /nfs/dbraw/zinc/32/25/44/859322544.db2.gz CCADNWRWUQTELM-KBMXLJTQSA-N 2 2 350.463 0.348 10 0 FCAELP COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC001264141544 859322553 /nfs/dbraw/zinc/32/25/53/859322553.db2.gz CCADNWRWUQTELM-KBMXLJTQSA-N 2 2 350.463 0.348 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[N@@H+]1CCS(C)(=O)=O ZINC001264732293 859444742 /nfs/dbraw/zinc/44/47/42/859444742.db2.gz DUOSYMNHEDJTRU-CVEARBPZSA-N 2 2 359.536 0.876 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[N@H+]1CCS(C)(=O)=O ZINC001264732293 859444747 /nfs/dbraw/zinc/44/47/47/859444747.db2.gz DUOSYMNHEDJTRU-CVEARBPZSA-N 2 2 359.536 0.876 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC001265924953 859469972 /nfs/dbraw/zinc/46/99/72/859469972.db2.gz IGVDCKIZJKTDMY-RRFJBIMHSA-N 2 2 368.503 0.396 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC001265924953 859469974 /nfs/dbraw/zinc/46/99/74/859469974.db2.gz IGVDCKIZJKTDMY-RRFJBIMHSA-N 2 2 368.503 0.396 10 0 FCAELP CN(CC[NH2+]CC(=O)Nc1nncs1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001266839318 859492039 /nfs/dbraw/zinc/49/20/39/859492039.db2.gz WUKBQNIKSZZIFX-GHMZBOCLSA-N 2 2 363.447 0.062 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C/C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001268592968 859535558 /nfs/dbraw/zinc/53/55/58/859535558.db2.gz NIPPCBZKRQYVRI-FKPKYRGISA-N 2 2 366.487 0.220 10 0 FCAELP COC[C@H](O)C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001274375492 860739764 /nfs/dbraw/zinc/73/97/64/860739764.db2.gz RYTPITQLAWUVJI-RBSFLKMASA-N 2 2 350.463 0.502 10 0 FCAELP Cc1cnc(C[NH2+][C@]2(CO)CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)o1 ZINC001281119452 863488886 /nfs/dbraw/zinc/48/88/86/863488886.db2.gz BFYKEJHIGWOHAT-IIDMSEBBSA-N 2 2 350.463 0.766 10 0 FCAELP Cc1cnc(C[NH2+][C@]2(CO)CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)o1 ZINC001281119452 863488889 /nfs/dbraw/zinc/48/88/89/863488889.db2.gz BFYKEJHIGWOHAT-IIDMSEBBSA-N 2 2 350.463 0.766 10 0 FCAELP C[NH+]1CCN(C(=O)C2CCN(C(=O)CC[N@@H+]3CC[C@H](F)C3)CC2)CC1 ZINC001290901678 865551238 /nfs/dbraw/zinc/55/12/38/865551238.db2.gz FVVYVKDECNQKHV-INIZCTEOSA-N 2 2 354.470 0.433 10 0 FCAELP C[NH+]1CCN(C(=O)C2CCN(C(=O)CC[N@H+]3CC[C@H](F)C3)CC2)CC1 ZINC001290901678 865551244 /nfs/dbraw/zinc/55/12/44/865551244.db2.gz FVVYVKDECNQKHV-INIZCTEOSA-N 2 2 354.470 0.433 10 0 FCAELP CC[C@@H](C(=O)N1CC(N2CC[NH+](CC)CC2)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC001350717839 866668814 /nfs/dbraw/zinc/66/88/14/866668814.db2.gz UKHFSQOZKJLCPP-MSOLQXFVSA-N 2 2 352.523 0.724 10 0 FCAELP CC[C@@H](C(=O)N1CC(N2CC[NH+](CC)CC2)C1)[N@H+]1CCO[C@H](CC)C1 ZINC001350717839 866668833 /nfs/dbraw/zinc/66/88/33/866668833.db2.gz UKHFSQOZKJLCPP-MSOLQXFVSA-N 2 2 352.523 0.724 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)n1 ZINC001351091078 866775462 /nfs/dbraw/zinc/77/54/62/866775462.db2.gz KECCKUMVDDXOIG-UHFFFAOYSA-N 2 2 365.503 0.564 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cn1cc(C(F)(F)F)ccc1=O ZINC001351215760 866813786 /nfs/dbraw/zinc/81/37/86/866813786.db2.gz GQZSMLRAZHCFEC-UHFFFAOYSA-N 2 2 362.396 0.867 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cn1cc(C(F)(F)F)ccc1=O ZINC001351215760 866813804 /nfs/dbraw/zinc/81/38/04/866813804.db2.gz GQZSMLRAZHCFEC-UHFFFAOYSA-N 2 2 362.396 0.867 10 0 FCAELP C[C@H]1CCCN(C(=O)CCNC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC001351579846 866906216 /nfs/dbraw/zinc/90/62/16/866906216.db2.gz XQWZRKWKPPDYBL-INIZCTEOSA-N 2 2 355.527 0.818 10 0 FCAELP C[C@H]1CCCN(C(=O)CCNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC001351579846 866906231 /nfs/dbraw/zinc/90/62/31/866906231.db2.gz XQWZRKWKPPDYBL-INIZCTEOSA-N 2 2 355.527 0.818 10 0 FCAELP C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C[NH2+]CCOCC(F)F)C1 ZINC001316696528 867405676 /nfs/dbraw/zinc/40/56/76/867405676.db2.gz JAEDFAADKBBIIX-QLFBSQMISA-N 2 2 363.449 0.815 10 0 FCAELP C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C[NH2+]CCOCC(F)F)C1 ZINC001316696528 867405682 /nfs/dbraw/zinc/40/56/82/867405682.db2.gz JAEDFAADKBBIIX-QLFBSQMISA-N 2 2 363.449 0.815 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC(=O)N[C@@H](C)C1CC1 ZINC001316740313 867437048 /nfs/dbraw/zinc/43/70/48/867437048.db2.gz FVMNDDZHNQREPM-BHYGNILZSA-N 2 2 350.507 0.966 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC(=O)N[C@@H](C)C1CC1 ZINC001316740313 867437051 /nfs/dbraw/zinc/43/70/51/867437051.db2.gz FVMNDDZHNQREPM-BHYGNILZSA-N 2 2 350.507 0.966 10 0 FCAELP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1nsc(N(C)C)n1 ZINC001317393853 867529324 /nfs/dbraw/zinc/52/93/24/867529324.db2.gz WGABBAHCYJASIH-YNEHKIRRSA-N 2 2 354.524 0.929 10 0 FCAELP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1nsc(N(C)C)n1 ZINC001317393853 867529335 /nfs/dbraw/zinc/52/93/35/867529335.db2.gz WGABBAHCYJASIH-YNEHKIRRSA-N 2 2 354.524 0.929 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@](C)(F)C1 ZINC001328320887 871360877 /nfs/dbraw/zinc/36/08/77/871360877.db2.gz PGENAWBOZUPUCH-SFHVURJKSA-N 2 2 356.486 0.821 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@](C)(F)C1 ZINC001328320887 871360887 /nfs/dbraw/zinc/36/08/87/871360887.db2.gz PGENAWBOZUPUCH-SFHVURJKSA-N 2 2 356.486 0.821 10 0 FCAELP Cc1cc(C[NH+]2CCC(CO)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)no1 ZINC001328528669 871484756 /nfs/dbraw/zinc/48/47/56/871484756.db2.gz AFCVWKKLHFXQLF-GDBMZVCRSA-N 2 2 350.463 0.766 10 0 FCAELP Cc1cc(C[NH+]2CCC(CO)(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)no1 ZINC001328528669 871484773 /nfs/dbraw/zinc/48/47/73/871484773.db2.gz AFCVWKKLHFXQLF-GDBMZVCRSA-N 2 2 350.463 0.766 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CSC3(C)C)C2)CC1 ZINC001328841771 871659736 /nfs/dbraw/zinc/65/97/36/871659736.db2.gz BMPZRGSIEVGBKH-TZMCWYRMSA-N 2 2 354.520 0.281 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CSC3(C)C)C2)CC1 ZINC001328841771 871659742 /nfs/dbraw/zinc/65/97/42/871659742.db2.gz BMPZRGSIEVGBKH-TZMCWYRMSA-N 2 2 354.520 0.281 10 0 FCAELP C[NH2+]CCCC(=O)N1CCC(NC(=O)NCCCn2cc[nH+]c2)CC1 ZINC001329824246 872286454 /nfs/dbraw/zinc/28/64/54/872286454.db2.gz UDBXQTCBHDUAGI-UHFFFAOYSA-N 2 2 350.467 0.563 10 0 FCAELP COC[C@@H](O)C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001329825210 872287705 /nfs/dbraw/zinc/28/77/05/872287705.db2.gz NWYQHQJTIKCNAI-RRFJBIMHSA-N 2 2 350.463 0.929 10 0 FCAELP COC[C@@H](O)C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001329825210 872287722 /nfs/dbraw/zinc/28/77/22/872287722.db2.gz NWYQHQJTIKCNAI-RRFJBIMHSA-N 2 2 350.463 0.929 10 0 FCAELP O=C(/C=C/C[NH+]1CCOCC1)NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001347358461 872291007 /nfs/dbraw/zinc/29/10/07/872291007.db2.gz PAYQHEOAJCJTJG-ORYMXUJHSA-N 2 2 351.491 0.882 10 0 FCAELP Cc1cc(NC(=O)C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cn2cc[nH+]c12 ZINC000293827652 214204314 /nfs/dbraw/zinc/20/43/14/214204314.db2.gz WUHFMJFUMCSAGX-LSDHHAIUSA-N 2 2 357.414 0.513 10 0 FCAELP Cc1cc(NC(=O)C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cn2cc[nH+]c12 ZINC000293827652 214204317 /nfs/dbraw/zinc/20/43/17/214204317.db2.gz WUHFMJFUMCSAGX-LSDHHAIUSA-N 2 2 357.414 0.513 10 0 FCAELP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295261399 214287698 /nfs/dbraw/zinc/28/76/98/214287698.db2.gz BSANQDKUZCSFOP-MSOLQXFVSA-N 2 2 373.501 0.525 10 0 FCAELP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295261399 214287700 /nfs/dbraw/zinc/28/77/00/214287700.db2.gz BSANQDKUZCSFOP-MSOLQXFVSA-N 2 2 373.501 0.525 10 0 FCAELP COc1ccc(OC)c(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000265870801 210239352 /nfs/dbraw/zinc/23/93/52/210239352.db2.gz PKUOMLRRCCEREC-INIZCTEOSA-N 2 2 363.458 0.727 10 0 FCAELP CC[C@@H]1CN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)C[C@H]1[NH+]1CCOCC1 ZINC000332994814 215222383 /nfs/dbraw/zinc/22/23/83/215222383.db2.gz DZCULBJSIQPMGV-BRWVUGGUSA-N 2 2 354.495 0.459 10 0 FCAELP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000333274888 215256860 /nfs/dbraw/zinc/25/68/60/215256860.db2.gz LEAKLICUEZZARX-ACBHZAAOSA-N 2 2 364.534 0.820 10 0 FCAELP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000333274888 215256863 /nfs/dbraw/zinc/25/68/63/215256863.db2.gz LEAKLICUEZZARX-ACBHZAAOSA-N 2 2 364.534 0.820 10 0 FCAELP CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000360778661 215370685 /nfs/dbraw/zinc/37/06/85/215370685.db2.gz XXNVPEUOQOFVSF-HOCLYGCPSA-N 2 2 372.535 0.072 10 0 FCAELP CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000360778661 215370689 /nfs/dbraw/zinc/37/06/89/215370689.db2.gz XXNVPEUOQOFVSF-HOCLYGCPSA-N 2 2 372.535 0.072 10 0 FCAELP CN(Cc1[nH+]ccn1C)C(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000285290995 213318469 /nfs/dbraw/zinc/31/84/69/213318469.db2.gz VJZKAFGBSZUHHR-MRXNPFEDSA-N 2 2 357.458 0.668 10 0 FCAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000284931110 213251952 /nfs/dbraw/zinc/25/19/52/213251952.db2.gz NPSIVXQZWXWPRT-CJNGLKHVSA-N 2 2 368.441 0.482 10 0 FCAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000284931110 213251954 /nfs/dbraw/zinc/25/19/54/213251954.db2.gz NPSIVXQZWXWPRT-CJNGLKHVSA-N 2 2 368.441 0.482 10 0 FCAELP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000284931103 213251096 /nfs/dbraw/zinc/25/10/96/213251096.db2.gz NPSIVXQZWXWPRT-BBRMVZONSA-N 2 2 368.441 0.482 10 0 FCAELP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000284931103 213251098 /nfs/dbraw/zinc/25/10/98/213251098.db2.gz NPSIVXQZWXWPRT-BBRMVZONSA-N 2 2 368.441 0.482 10 0 FCAELP C[C@H](CNC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1)[N@H+](C)C1CC1 ZINC000284842480 213232223 /nfs/dbraw/zinc/23/22/23/213232223.db2.gz JIPMNGWCYWGUHC-CYBMUJFWSA-N 2 2 356.430 0.482 10 0 FCAELP C[C@H](CNC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1)[N@@H+](C)C1CC1 ZINC000284842480 213232224 /nfs/dbraw/zinc/23/22/24/213232224.db2.gz JIPMNGWCYWGUHC-CYBMUJFWSA-N 2 2 356.430 0.482 10 0 FCAELP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000284826795 213229379 /nfs/dbraw/zinc/22/93/79/213229379.db2.gz IJZQKOJRQSVCSR-HNNXBMFYSA-N 2 2 370.457 0.684 10 0 FCAELP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000284826795 213229383 /nfs/dbraw/zinc/22/93/83/213229383.db2.gz IJZQKOJRQSVCSR-HNNXBMFYSA-N 2 2 370.457 0.684 10 0 FCAELP C[C@H](O)[C@H]1C[N@H+](Cc2ccccc2C[NH+]2CCO[C@H]([C@H](C)O)C2)CCO1 ZINC000412080744 237161856 /nfs/dbraw/zinc/16/18/56/237161856.db2.gz KWKXBDHLNMGZQH-CPLUKWAASA-N 2 2 364.486 0.850 10 0 FCAELP C[C@H](O)[C@H]1C[N@@H+](Cc2ccccc2C[NH+]2CCO[C@H]([C@H](C)O)C2)CCO1 ZINC000412080744 237161859 /nfs/dbraw/zinc/16/18/59/237161859.db2.gz KWKXBDHLNMGZQH-CPLUKWAASA-N 2 2 364.486 0.850 10 0 FCAELP C[C@H](O)[C@H]1C[NH+](Cc2ccccc2C[N@@H+]2CCO[C@H]([C@H](C)O)C2)CCO1 ZINC000412080744 237161866 /nfs/dbraw/zinc/16/18/66/237161866.db2.gz KWKXBDHLNMGZQH-CPLUKWAASA-N 2 2 364.486 0.850 10 0 FCAELP C[C@H](O)[C@H]1C[NH+](Cc2ccccc2C[N@H+]2CCO[C@H]([C@H](C)O)C2)CCO1 ZINC000412080744 237161869 /nfs/dbraw/zinc/16/18/69/237161869.db2.gz KWKXBDHLNMGZQH-CPLUKWAASA-N 2 2 364.486 0.850 10 0 FCAELP C[C@H](O)[C@@H]1C[NH+](Cc2cccc(C[N@@H+]3CCO[C@H]([C@H](C)O)C3)c2)CCO1 ZINC000412096019 237164226 /nfs/dbraw/zinc/16/42/26/237164226.db2.gz SGHOMQYYBPCREL-FVCZOJIISA-N 2 2 364.486 0.850 10 0 FCAELP C[C@H](O)[C@@H]1C[NH+](Cc2cccc(C[N@H+]3CCO[C@H]([C@H](C)O)C3)c2)CCO1 ZINC000412096019 237164234 /nfs/dbraw/zinc/16/42/34/237164234.db2.gz SGHOMQYYBPCREL-FVCZOJIISA-N 2 2 364.486 0.850 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC3(CO)Cc4ccccc4C3)C2)CC1 ZINC000366656613 216013219 /nfs/dbraw/zinc/01/32/19/216013219.db2.gz SVJHSYGYCIYNGR-GOSISDBHSA-N 2 2 372.513 0.984 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC3(CO)Cc4ccccc4C3)C2)CC1 ZINC000366656613 216013221 /nfs/dbraw/zinc/01/32/21/216013221.db2.gz SVJHSYGYCIYNGR-GOSISDBHSA-N 2 2 372.513 0.984 10 0 FCAELP Cc1ccc(NC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1S(N)(=O)=O ZINC000246584815 209392821 /nfs/dbraw/zinc/39/28/21/209392821.db2.gz SJQDSDURGORSJN-DZGCQCFKSA-N 2 2 368.503 0.995 10 0 FCAELP Cc1ccc(NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1S(N)(=O)=O ZINC000246584815 209392825 /nfs/dbraw/zinc/39/28/25/209392825.db2.gz SJQDSDURGORSJN-DZGCQCFKSA-N 2 2 368.503 0.995 10 0 FCAELP Cc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1S(N)(=O)=O ZINC000246584815 209392829 /nfs/dbraw/zinc/39/28/29/209392829.db2.gz SJQDSDURGORSJN-DZGCQCFKSA-N 2 2 368.503 0.995 10 0 FCAELP Cc1ccc(NC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1S(N)(=O)=O ZINC000246584815 209392831 /nfs/dbraw/zinc/39/28/31/209392831.db2.gz SJQDSDURGORSJN-DZGCQCFKSA-N 2 2 368.503 0.995 10 0 FCAELP C[C@@H]1CC[N@H+](CC(=O)N(C)CC(=O)N2CCOCC2)C[C@H]1n1cc[nH+]c1 ZINC000245600532 209371504 /nfs/dbraw/zinc/37/15/04/209371504.db2.gz MHJSZFLCAIUMHM-HZPDHXFCSA-N 2 2 363.462 0.083 10 0 FCAELP C[C@@H]1CC[N@@H+](CC(=O)N(C)CC(=O)N2CCOCC2)C[C@H]1n1cc[nH+]c1 ZINC000245600532 209371507 /nfs/dbraw/zinc/37/15/07/209371507.db2.gz MHJSZFLCAIUMHM-HZPDHXFCSA-N 2 2 363.462 0.083 10 0 FCAELP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246113085 209378301 /nfs/dbraw/zinc/37/83/01/209378301.db2.gz JUDAMPOQXKKOSS-CABCVRRESA-N 2 2 359.474 0.941 10 0 FCAELP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246113085 209378309 /nfs/dbraw/zinc/37/83/09/209378309.db2.gz JUDAMPOQXKKOSS-CABCVRRESA-N 2 2 359.474 0.941 10 0 FCAELP CC(C)CCNC(=O)C1CCN(C(=O)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CC1 ZINC000193632882 209317350 /nfs/dbraw/zinc/31/73/50/209317350.db2.gz ABUVXWYVDZRXPD-HDICACEKSA-N 2 2 364.534 0.881 10 0 FCAELP CC(C)CCNC(=O)C1CCN(C(=O)C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CC1 ZINC000193632882 209317354 /nfs/dbraw/zinc/31/73/54/209317354.db2.gz ABUVXWYVDZRXPD-HDICACEKSA-N 2 2 364.534 0.881 10 0 FCAELP CC(C)CCNC(=O)C1CCN(C(=O)C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CC1 ZINC000193632882 209317357 /nfs/dbraw/zinc/31/73/57/209317357.db2.gz ABUVXWYVDZRXPD-HDICACEKSA-N 2 2 364.534 0.881 10 0 FCAELP CC(C)CCNC(=O)C1CCN(C(=O)C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CC1 ZINC000193632882 209317361 /nfs/dbraw/zinc/31/73/61/209317361.db2.gz ABUVXWYVDZRXPD-HDICACEKSA-N 2 2 364.534 0.881 10 0 FCAELP COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193608809 209315654 /nfs/dbraw/zinc/31/56/54/209315654.db2.gz SLFVPJWQAIAXNU-KSZLIROESA-N 2 2 357.454 0.606 10 0 FCAELP COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193608809 209315657 /nfs/dbraw/zinc/31/56/57/209315657.db2.gz SLFVPJWQAIAXNU-KSZLIROESA-N 2 2 357.454 0.606 10 0 FCAELP COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193608809 209315647 /nfs/dbraw/zinc/31/56/47/209315647.db2.gz SLFVPJWQAIAXNU-KSZLIROESA-N 2 2 357.454 0.606 10 0 FCAELP COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193608809 209315651 /nfs/dbraw/zinc/31/56/51/209315651.db2.gz SLFVPJWQAIAXNU-KSZLIROESA-N 2 2 357.454 0.606 10 0 FCAELP CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193601360 209314284 /nfs/dbraw/zinc/31/42/84/209314284.db2.gz KCSNFLGMCNJOKJ-GASCZTMLSA-N 2 2 364.515 0.706 10 0 FCAELP CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193601360 209314287 /nfs/dbraw/zinc/31/42/87/209314287.db2.gz KCSNFLGMCNJOKJ-GASCZTMLSA-N 2 2 364.515 0.706 10 0 FCAELP CCN(CC(=O)NCc1cccs1)C(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193601360 209314291 /nfs/dbraw/zinc/31/42/91/209314291.db2.gz KCSNFLGMCNJOKJ-GASCZTMLSA-N 2 2 364.515 0.706 10 0 FCAELP CCN(CC(=O)NCc1cccs1)C(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193601360 209314294 /nfs/dbraw/zinc/31/42/94/209314294.db2.gz KCSNFLGMCNJOKJ-GASCZTMLSA-N 2 2 364.515 0.706 10 0 FCAELP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H](O)C3(S(=O)(=O)NC(C)(C)C)CCC3)C[C@H]21 ZINC000931276345 674106698 /nfs/dbraw/zinc/10/66/98/674106698.db2.gz FHLMEFMJWMGYNI-LJISPDSOSA-N 2 2 359.536 0.480 10 0 FCAELP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H](O)C3(S(=O)(=O)NC(C)(C)C)CCC3)C[C@H]21 ZINC000931276345 674106699 /nfs/dbraw/zinc/10/66/99/674106699.db2.gz FHLMEFMJWMGYNI-LJISPDSOSA-N 2 2 359.536 0.480 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000277790839 212397933 /nfs/dbraw/zinc/39/79/33/212397933.db2.gz MRMFVYUVIHTOCG-UHFFFAOYSA-N 2 2 364.519 0.630 10 0 FCAELP CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)s1 ZINC000931480634 674116896 /nfs/dbraw/zinc/11/68/96/674116896.db2.gz HBNINUVNOKIEQX-UHFFFAOYSA-N 2 2 361.533 0.887 10 0 FCAELP O=C(Nc1ccc2c(c1)C[NH2+]C2)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000415084977 245346833 /nfs/dbraw/zinc/34/68/33/245346833.db2.gz SBNDAXRWWXULED-KRWDZBQOSA-N 2 2 358.442 0.552 10 0 FCAELP C[C@@H](c1nc(N)nc(N(C)C)n1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182567041 209132541 /nfs/dbraw/zinc/13/25/41/209132541.db2.gz KZNIMHHBQDSPMT-LSVZVQIISA-N 2 2 374.537 0.824 10 0 FCAELP C[C@@H](c1nc(N)nc(N(C)C)n1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182567041 209132544 /nfs/dbraw/zinc/13/25/44/209132544.db2.gz KZNIMHHBQDSPMT-LSVZVQIISA-N 2 2 374.537 0.824 10 0 FCAELP COC1(OC)CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@H]1O ZINC000931632563 674123670 /nfs/dbraw/zinc/12/36/70/674123670.db2.gz SOYAAKHFOCEWOZ-MSOLQXFVSA-N 2 2 350.459 0.679 10 0 FCAELP COC1(OC)CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@H]1O ZINC000931632563 674123672 /nfs/dbraw/zinc/12/36/72/674123672.db2.gz SOYAAKHFOCEWOZ-MSOLQXFVSA-N 2 2 350.459 0.679 10 0 FCAELP COC1(OC)CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@H]1O ZINC000931632563 674123674 /nfs/dbraw/zinc/12/36/74/674123674.db2.gz SOYAAKHFOCEWOZ-MSOLQXFVSA-N 2 2 350.459 0.679 10 0 FCAELP COC1(OC)CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@H]1O ZINC000931632563 674123676 /nfs/dbraw/zinc/12/36/76/674123676.db2.gz SOYAAKHFOCEWOZ-MSOLQXFVSA-N 2 2 350.459 0.679 10 0 FCAELP CC[C@H]1C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@]2(CCOC2)O1 ZINC000376019602 217345859 /nfs/dbraw/zinc/34/58/59/217345859.db2.gz BKYYEQYNOQKXJV-HKUYNNGSSA-N 2 2 361.490 0.998 10 0 FCAELP CC[C@H]1C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@]2(CCOC2)O1 ZINC000376019602 217345860 /nfs/dbraw/zinc/34/58/60/217345860.db2.gz BKYYEQYNOQKXJV-HKUYNNGSSA-N 2 2 361.490 0.998 10 0 FCAELP CN(C)S(=O)(=O)n1ccnc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000376032122 217349052 /nfs/dbraw/zinc/34/90/52/217349052.db2.gz KQEZJTLQRYXRNS-CQSZACIVSA-N 2 2 366.491 0.726 10 0 FCAELP CN(C)S(=O)(=O)n1ccnc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000376032122 217349055 /nfs/dbraw/zinc/34/90/55/217349055.db2.gz KQEZJTLQRYXRNS-CQSZACIVSA-N 2 2 366.491 0.726 10 0 FCAELP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2nc(C[NH+](C)C)cs2)C1 ZINC000931659681 674128347 /nfs/dbraw/zinc/12/83/47/674128347.db2.gz AGUCHIYCAAXGNL-ZDUSSCGKSA-N 2 2 367.519 0.621 10 0 FCAELP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2nc(C[NH+](C)C)cs2)C1 ZINC000931659681 674128350 /nfs/dbraw/zinc/12/83/50/674128350.db2.gz AGUCHIYCAAXGNL-ZDUSSCGKSA-N 2 2 367.519 0.621 10 0 FCAELP O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000419235975 246070411 /nfs/dbraw/zinc/07/04/11/246070411.db2.gz KDYWXGSJWNBXEZ-MRXNPFEDSA-N 2 2 364.409 0.519 10 0 FCAELP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000419329976 246099658 /nfs/dbraw/zinc/09/96/58/246099658.db2.gz FROGZUZPYNHGSG-DLBZAZTESA-N 2 2 364.490 0.311 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000419329976 246099665 /nfs/dbraw/zinc/09/96/65/246099665.db2.gz FROGZUZPYNHGSG-DLBZAZTESA-N 2 2 364.490 0.311 10 0 FCAELP CCN(CCC[NH+](C)C)C(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000931663164 674128822 /nfs/dbraw/zinc/12/88/22/674128822.db2.gz GBXMERMGNFKCHL-UHFFFAOYSA-N 2 2 355.508 0.621 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)C(=O)N2CCC23CC[NH+](C)CC3)n1 ZINC000931668338 674129929 /nfs/dbraw/zinc/12/99/29/674129929.db2.gz PDNXTHHTNGJFTQ-UHFFFAOYSA-N 2 2 365.503 0.518 10 0 FCAELP Cn1cc[nH+]c1CNC(=O)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000419655489 246233572 /nfs/dbraw/zinc/23/35/72/246233572.db2.gz HKZWCSLJCOISII-CABCVRRESA-N 2 2 359.405 0.519 10 0 FCAELP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000419677951 246244794 /nfs/dbraw/zinc/24/47/94/246244794.db2.gz DGOYQALPUFMHQL-GOEBONIOSA-N 2 2 371.441 0.570 10 0 FCAELP [NH3+]CC(F)(F)CNC(=O)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000419712340 246263302 /nfs/dbraw/zinc/26/33/02/246263302.db2.gz PBATUUZOTWIYKP-UHFFFAOYSA-N 2 2 374.819 0.525 10 0 FCAELP [NH3+]CC(F)(F)CNC(=O)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000419712340 246263308 /nfs/dbraw/zinc/26/33/08/246263308.db2.gz PBATUUZOTWIYKP-UHFFFAOYSA-N 2 2 374.819 0.525 10 0 FCAELP C[NH2+]CCNC(=O)C(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000419877513 246342954 /nfs/dbraw/zinc/34/29/54/246342954.db2.gz QYVMDRRACWMWHZ-ZDUSSCGKSA-N 2 2 352.866 0.881 10 0 FCAELP CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(c3c[nH+]ccc3C)CC2)CC1 ZINC000423471577 247033695 /nfs/dbraw/zinc/03/36/95/247033695.db2.gz HKMIICDOVKXMHZ-UHFFFAOYSA-N 2 2 373.501 0.887 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000423476341 247035315 /nfs/dbraw/zinc/03/53/15/247035315.db2.gz LAVIHGOHOQZMIO-DNVCBOLYSA-N 2 2 359.474 0.482 10 0 FCAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424165838 247174398 /nfs/dbraw/zinc/17/43/98/247174398.db2.gz BPIDMFDVGALVFN-CQSZACIVSA-N 2 2 371.445 0.995 10 0 FCAELP C[C@H](CO)[N@@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)C[C@H](C)O ZINC000443335942 248321970 /nfs/dbraw/zinc/32/19/70/248321970.db2.gz XBFCTBRBYRIZAN-SQNIBIBYSA-N 2 2 363.502 0.955 10 0 FCAELP C[C@H](CO)[N@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)C[C@H](C)O ZINC000443335942 248321971 /nfs/dbraw/zinc/32/19/71/248321971.db2.gz XBFCTBRBYRIZAN-SQNIBIBYSA-N 2 2 363.502 0.955 10 0 FCAELP CC[NH+]1CCN(CC(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000469816964 250005173 /nfs/dbraw/zinc/00/51/73/250005173.db2.gz BABIHHQQJCMEKY-UHFFFAOYSA-N 2 2 373.545 0.905 10 0 FCAELP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCNC(=O)CC2)CC1 ZINC000065954931 208014657 /nfs/dbraw/zinc/01/46/57/208014657.db2.gz NQIBCGRTODVRJI-UHFFFAOYSA-N 2 2 358.486 0.851 10 0 FCAELP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCNC(=O)CC2)CC1 ZINC000065954931 208014663 /nfs/dbraw/zinc/01/46/63/208014663.db2.gz NQIBCGRTODVRJI-UHFFFAOYSA-N 2 2 358.486 0.851 10 0 FCAELP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCNC(=O)CC2)CC1 ZINC000065954931 208014668 /nfs/dbraw/zinc/01/46/68/208014668.db2.gz NQIBCGRTODVRJI-UHFFFAOYSA-N 2 2 358.486 0.851 10 0 FCAELP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCNC(=O)CC2)CC1 ZINC000065954931 208014674 /nfs/dbraw/zinc/01/46/74/208014674.db2.gz NQIBCGRTODVRJI-UHFFFAOYSA-N 2 2 358.486 0.851 10 0 FCAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@H](C)C1 ZINC000081095769 208097891 /nfs/dbraw/zinc/09/78/91/208097891.db2.gz MCQUIBDGIUPIMN-CJNGLKHVSA-N 2 2 368.503 0.935 10 0 FCAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@H](C)C1 ZINC000081095769 208097897 /nfs/dbraw/zinc/09/78/97/208097897.db2.gz MCQUIBDGIUPIMN-CJNGLKHVSA-N 2 2 368.503 0.935 10 0 FCAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@H](C)C1 ZINC000081095769 208097901 /nfs/dbraw/zinc/09/79/01/208097901.db2.gz MCQUIBDGIUPIMN-CJNGLKHVSA-N 2 2 368.503 0.935 10 0 FCAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@H](C)C1 ZINC000081095769 208097907 /nfs/dbraw/zinc/09/79/07/208097907.db2.gz MCQUIBDGIUPIMN-CJNGLKHVSA-N 2 2 368.503 0.935 10 0 FCAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CC(=O)N3CCC[C@H](C)C3)CC2)C1 ZINC000106122780 208209676 /nfs/dbraw/zinc/20/96/76/208209676.db2.gz DZUSPFURMPXWOC-RBUKOAKNSA-N 2 2 366.550 0.972 10 0 FCAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CC(=O)N3CCC[C@H](C)C3)CC2)C1 ZINC000106122780 208209681 /nfs/dbraw/zinc/20/96/81/208209681.db2.gz DZUSPFURMPXWOC-RBUKOAKNSA-N 2 2 366.550 0.972 10 0 FCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NC(=O)N[C@@H](C)COC)C1 ZINC000106216225 208221111 /nfs/dbraw/zinc/22/11/11/208221111.db2.gz CLQQNCZSDSOKSS-UONOGXRCSA-N 2 2 351.451 0.943 10 0 FCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NC(=O)N[C@@H](C)COC)C1 ZINC000106216225 208221119 /nfs/dbraw/zinc/22/11/19/208221119.db2.gz CLQQNCZSDSOKSS-UONOGXRCSA-N 2 2 351.451 0.943 10 0 FCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)c2c(N)n(CC)c(=O)[nH]c2=O)C1 ZINC000106215930 208221525 /nfs/dbraw/zinc/22/15/25/208221525.db2.gz HZGODYDLFAQDRP-GFCCVEGCSA-N 2 2 374.445 0.417 10 0 FCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)c2c(N)n(CC)c(=O)[nH]c2=O)C1 ZINC000106215930 208221526 /nfs/dbraw/zinc/22/15/26/208221526.db2.gz HZGODYDLFAQDRP-GFCCVEGCSA-N 2 2 374.445 0.417 10 0 FCAELP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000106529199 208227507 /nfs/dbraw/zinc/22/75/07/208227507.db2.gz ZGBYVZAVRRNAFI-HNNXBMFYSA-N 2 2 357.462 0.702 10 0 FCAELP c1ncc(C[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cn1 ZINC000112505938 208297110 /nfs/dbraw/zinc/29/71/10/208297110.db2.gz ZNIPGCIPIPPAKT-MRXNPFEDSA-N 2 2 355.446 0.862 10 0 FCAELP CN1CC[NH+](Cc2ccc(C(=O)N3CCO[C@@H](C[NH+](C)C)C3)cc2)CC1 ZINC000116977829 208340366 /nfs/dbraw/zinc/34/03/66/208340366.db2.gz BLOUABNLJCQLIF-IBGZPJMESA-N 2 2 360.502 0.837 10 0 FCAELP C[NH+](C)Cc1ccc(N2CCN(C(=O)NCCn3cc[nH+]c3)CC2)nc1 ZINC000114580938 208315603 /nfs/dbraw/zinc/31/56/03/208315603.db2.gz CRBYGCQBXINYNV-UHFFFAOYSA-N 2 2 357.462 0.872 10 0 FCAELP CNc1[nH+]cnc2c1cnn2CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000194429463 533089410 /nfs/dbraw/zinc/08/94/10/533089410.db2.gz RIOKVPACUMRWKT-ZDUSSCGKSA-N 2 2 361.450 0.341 10 0 FCAELP CNc1[nH+]cnc2c1cnn2CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000194429463 533089413 /nfs/dbraw/zinc/08/94/13/533089413.db2.gz RIOKVPACUMRWKT-ZDUSSCGKSA-N 2 2 361.450 0.341 10 0 FCAELP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000177025263 209013870 /nfs/dbraw/zinc/01/38/70/209013870.db2.gz TZVFJBYYVKRIJF-HNNXBMFYSA-N 2 2 357.414 0.472 10 0 FCAELP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000177025263 209013874 /nfs/dbraw/zinc/01/38/74/209013874.db2.gz TZVFJBYYVKRIJF-HNNXBMFYSA-N 2 2 357.414 0.472 10 0 FCAELP CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC1 ZINC000177908211 209037976 /nfs/dbraw/zinc/03/79/76/209037976.db2.gz PHVNIFKBWGZDGG-KRWDZBQOSA-N 2 2 360.458 0.486 10 0 FCAELP CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC1 ZINC000177908211 209037978 /nfs/dbraw/zinc/03/79/78/209037978.db2.gz PHVNIFKBWGZDGG-KRWDZBQOSA-N 2 2 360.458 0.486 10 0 FCAELP C[NH+](C)C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CCO1 ZINC000178615759 209054031 /nfs/dbraw/zinc/05/40/31/209054031.db2.gz OUVPCCHUDVYXHO-MRXNPFEDSA-N 2 2 366.531 0.655 10 0 FCAELP CC(C)COC[C@@H](O)C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000178609686 209055144 /nfs/dbraw/zinc/05/51/44/209055144.db2.gz UBAFGWVVVBXQEG-OALUTQOASA-N 2 2 357.539 0.747 10 0 FCAELP CC(C)COC[C@@H](O)C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000178609686 209055149 /nfs/dbraw/zinc/05/51/49/209055149.db2.gz UBAFGWVVVBXQEG-OALUTQOASA-N 2 2 357.539 0.747 10 0 FCAELP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)c3csc(C[NH3+])n3)CC2)C1 ZINC000178885381 209063825 /nfs/dbraw/zinc/06/38/25/209063825.db2.gz CAGULQIQCVLLDG-AWEZNQCLSA-N 2 2 367.519 0.469 10 0 FCAELP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)c3csc(C[NH3+])n3)CC2)C1 ZINC000178885381 209063827 /nfs/dbraw/zinc/06/38/27/209063827.db2.gz CAGULQIQCVLLDG-AWEZNQCLSA-N 2 2 367.519 0.469 10 0 FCAELP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000179891917 209088801 /nfs/dbraw/zinc/08/88/01/209088801.db2.gz QDPWBKSVENWZHB-UHFFFAOYSA-N 2 2 374.489 0.785 10 0 FCAELP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@H]2C[NH+]3CCN2CC3)c1 ZINC000178958769 209068351 /nfs/dbraw/zinc/06/83/51/209068351.db2.gz ROZDKRQOLAWZSZ-SFHVURJKSA-N 2 2 373.501 0.583 10 0 FCAELP C[C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000410499947 230105498 /nfs/dbraw/zinc/10/54/98/230105498.db2.gz VKRJTPJOVZWIKH-PVAVHDDUSA-N 2 2 359.474 0.988 10 0 FCAELP C[C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000410499947 230105501 /nfs/dbraw/zinc/10/55/01/230105501.db2.gz VKRJTPJOVZWIKH-PVAVHDDUSA-N 2 2 359.474 0.988 10 0 FCAELP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000934388815 674291467 /nfs/dbraw/zinc/29/14/67/674291467.db2.gz NWKPDHHJPUCHKH-BBWFWOEESA-N 2 2 357.495 0.339 10 0 FCAELP C[NH+](C)[C@@H]1CCN(c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)C1 ZINC000301148876 488876724 /nfs/dbraw/zinc/87/67/24/488876724.db2.gz IMWWQHONDGOYRT-CQSZACIVSA-N 2 2 353.492 0.158 10 0 FCAELP C[NH+]1CCN(S(=O)(=O)c2ccc(N3CC[NH+]4CCC3CC4)nc2)CC1 ZINC000302783991 488892084 /nfs/dbraw/zinc/89/20/84/488892084.db2.gz UINQKANBKAHXHR-UHFFFAOYSA-N 2 2 365.503 0.302 10 0 FCAELP CCC(=O)N1CSC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364205609 488934931 /nfs/dbraw/zinc/93/49/31/488934931.db2.gz HMHUMACPSKZXAH-HIFRSBDPSA-N 2 2 354.520 0.583 10 0 FCAELP CCC(=O)N1CSC[C@H]1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364205609 488934934 /nfs/dbraw/zinc/93/49/34/488934934.db2.gz HMHUMACPSKZXAH-HIFRSBDPSA-N 2 2 354.520 0.583 10 0 FCAELP CN(C)S(=O)(=O)n1ccnc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000569772289 491190652 /nfs/dbraw/zinc/19/06/52/491190652.db2.gz CANQTDLQBPQYPY-UHFFFAOYSA-N 2 2 364.475 0.691 10 0 FCAELP CN(C(=O)N[C@H]1CCC(=O)N(C)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364278136 488942878 /nfs/dbraw/zinc/94/28/78/488942878.db2.gz HIUVULTXFWCDOC-GOEBONIOSA-N 2 2 351.495 0.417 10 0 FCAELP CN(C(=O)N[C@H]1CCC(=O)N(C)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364278136 488942883 /nfs/dbraw/zinc/94/28/83/488942883.db2.gz HIUVULTXFWCDOC-GOEBONIOSA-N 2 2 351.495 0.417 10 0 FCAELP Cn1ccnc1C[NH+]1CCC(C(=O)N2CCN(CC[NH+](C)C)CC2)CC1 ZINC000048274241 488065242 /nfs/dbraw/zinc/06/52/42/488065242.db2.gz BXHLFIANHZIYAG-UHFFFAOYSA-N 2 2 362.522 0.338 10 0 FCAELP CC(C)[C@H](CNC(=O)NCCCC[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000057782483 488275920 /nfs/dbraw/zinc/27/59/20/488275920.db2.gz NKAHYISZGVHRHQ-KRWDZBQOSA-N 2 2 356.511 0.755 10 0 FCAELP O=C(NCCCC[NH+]1CCOCC1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069929889 488374646 /nfs/dbraw/zinc/37/46/46/488374646.db2.gz DJGMNZFJPSOITB-GOSISDBHSA-N 2 2 368.522 0.853 10 0 FCAELP CNC(=O)[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)C(C)C ZINC000183633638 488393390 /nfs/dbraw/zinc/39/33/90/488393390.db2.gz SLSGWGZHIHCGHZ-INIZCTEOSA-N 2 2 352.504 0.753 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC3(CNC(=O)C3)CC2)C1 ZINC000075012965 488394593 /nfs/dbraw/zinc/39/45/93/488394593.db2.gz VEPSGDYXUFLPKY-MRXNPFEDSA-N 2 2 366.506 0.062 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC3(CNC(=O)C3)CC2)C1 ZINC000075012965 488394595 /nfs/dbraw/zinc/39/45/95/488394595.db2.gz VEPSGDYXUFLPKY-MRXNPFEDSA-N 2 2 366.506 0.062 10 0 FCAELP CC[C@@H]1CN(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC[N@@H+]1C[C@@H](C)O ZINC000184786947 488397515 /nfs/dbraw/zinc/39/75/15/488397515.db2.gz RYMZSCNWJGMFKU-KURKYZTESA-N 2 2 370.538 0.830 10 0 FCAELP CC[C@@H]1CN(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC[N@H+]1C[C@@H](C)O ZINC000184786947 488397517 /nfs/dbraw/zinc/39/75/17/488397517.db2.gz RYMZSCNWJGMFKU-KURKYZTESA-N 2 2 370.538 0.830 10 0 FCAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000184786790 488397925 /nfs/dbraw/zinc/39/79/25/488397925.db2.gz HHRGWUKFVNSTFI-IAGOWNOFSA-N 2 2 356.511 0.441 10 0 FCAELP CC[N@H+](CCNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)C1CC1 ZINC000076972078 488408115 /nfs/dbraw/zinc/40/81/15/488408115.db2.gz QGFXJERDQSFUFM-UHFFFAOYSA-N 2 2 365.522 0.714 10 0 FCAELP CC[N@@H+](CCNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)C1CC1 ZINC000076972078 488408116 /nfs/dbraw/zinc/40/81/16/488408116.db2.gz QGFXJERDQSFUFM-UHFFFAOYSA-N 2 2 365.522 0.714 10 0 FCAELP O=C(NCCCC[NH+]1CCOCC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000079392237 488429558 /nfs/dbraw/zinc/42/95/58/488429558.db2.gz BMUAVMNVHGQOGI-KRWDZBQOSA-N 2 2 354.495 0.605 10 0 FCAELP C[NH+]1CCC(CNC(=O)N[C@@H]2CCCCNC2=O)([NH+]2CCCCC2)CC1 ZINC000080599404 488436369 /nfs/dbraw/zinc/43/63/69/488436369.db2.gz UCGALDWXCLMXRP-MRXNPFEDSA-N 2 2 365.522 0.905 10 0 FCAELP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCC[C@@H](c3[nH]cc[nH+]3)C1)c(=O)n2C ZINC000080960975 488438367 /nfs/dbraw/zinc/43/83/67/488438367.db2.gz HKMDCYJVTHSNBF-CYBMUJFWSA-N 2 2 371.445 0.427 10 0 FCAELP Cn1cnc2c1c(=O)n(CCC[N@H+]1CCC[C@@H](c3[nH]cc[nH+]3)C1)c(=O)n2C ZINC000080960975 488438368 /nfs/dbraw/zinc/43/83/68/488438368.db2.gz HKMDCYJVTHSNBF-CYBMUJFWSA-N 2 2 371.445 0.427 10 0 FCAELP COCC[N@@H+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000245654892 488465358 /nfs/dbraw/zinc/46/53/58/488465358.db2.gz CIXXSSVPNHPONM-IRXDYDNUSA-N 2 2 355.527 0.232 10 0 FCAELP COCC[N@H+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000245654892 488465360 /nfs/dbraw/zinc/46/53/60/488465360.db2.gz CIXXSSVPNHPONM-IRXDYDNUSA-N 2 2 355.527 0.232 10 0 FCAELP COCC[N@@H+]1CCN(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)C[C@@H]1C ZINC000245654892 488465362 /nfs/dbraw/zinc/46/53/62/488465362.db2.gz CIXXSSVPNHPONM-IRXDYDNUSA-N 2 2 355.527 0.232 10 0 FCAELP COCC[N@H+]1CCN(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)C[C@@H]1C ZINC000245654892 488465364 /nfs/dbraw/zinc/46/53/64/488465364.db2.gz CIXXSSVPNHPONM-IRXDYDNUSA-N 2 2 355.527 0.232 10 0 FCAELP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000245593759 488465527 /nfs/dbraw/zinc/46/55/27/488465527.db2.gz BKCLMHOTESZANG-ZWKOTPCHSA-N 3 2 369.554 0.765 10 0 FCAELP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000245593759 488465528 /nfs/dbraw/zinc/46/55/28/488465528.db2.gz BKCLMHOTESZANG-ZWKOTPCHSA-N 3 2 369.554 0.765 10 0 FCAELP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000245593751 488465556 /nfs/dbraw/zinc/46/55/56/488465556.db2.gz BKCLMHOTESZANG-ROUUACIJSA-N 3 2 369.554 0.765 10 0 FCAELP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000245593751 488465558 /nfs/dbraw/zinc/46/55/58/488465558.db2.gz BKCLMHOTESZANG-ROUUACIJSA-N 3 2 369.554 0.765 10 0 FCAELP C[C@@H]1CN(CC[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)C[C@H]1[NH+]1CCOCC1 ZINC000246593293 488474695 /nfs/dbraw/zinc/47/46/95/488474695.db2.gz WXHSAKDKUAYZLH-IYWMVGAKSA-N 2 2 366.550 0.291 10 0 FCAELP C[C@@H]1CN(CC[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)C[C@H]1[NH+]1CCOCC1 ZINC000246593293 488474696 /nfs/dbraw/zinc/47/46/96/488474696.db2.gz WXHSAKDKUAYZLH-IYWMVGAKSA-N 2 2 366.550 0.291 10 0 FCAELP C[C@@H]1C[N@@H+](CCN2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)C[C@H]1N1CCOCC1 ZINC000246593293 488474697 /nfs/dbraw/zinc/47/46/97/488474697.db2.gz WXHSAKDKUAYZLH-IYWMVGAKSA-N 2 2 366.550 0.291 10 0 FCAELP C[C@@H]1C[N@H+](CCN2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)C[C@H]1N1CCOCC1 ZINC000246593293 488474699 /nfs/dbraw/zinc/47/46/99/488474699.db2.gz WXHSAKDKUAYZLH-IYWMVGAKSA-N 2 2 366.550 0.291 10 0 FCAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247010994 488480431 /nfs/dbraw/zinc/48/04/31/488480431.db2.gz OLYHECLLHRBWRJ-ZWKOTPCHSA-N 2 2 373.501 0.525 10 0 FCAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247010994 488480433 /nfs/dbraw/zinc/48/04/33/488480433.db2.gz OLYHECLLHRBWRJ-ZWKOTPCHSA-N 2 2 373.501 0.525 10 0 FCAELP CC[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)Cc1cnn(C)c1 ZINC000101730853 488496043 /nfs/dbraw/zinc/49/60/43/488496043.db2.gz WXLUGDRYYZOMNL-QGZVFWFLSA-N 2 2 351.495 0.715 10 0 FCAELP CC[N@@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)Cc1cnn(C)c1 ZINC000101730853 488496045 /nfs/dbraw/zinc/49/60/45/488496045.db2.gz WXLUGDRYYZOMNL-QGZVFWFLSA-N 2 2 351.495 0.715 10 0 FCAELP CC[NH+](CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)Cc1cnn(C)c1 ZINC000101730853 488496046 /nfs/dbraw/zinc/49/60/46/488496046.db2.gz WXLUGDRYYZOMNL-QGZVFWFLSA-N 2 2 351.495 0.715 10 0 FCAELP CC[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)Cc1cnn(C)c1 ZINC000101730853 488496049 /nfs/dbraw/zinc/49/60/49/488496049.db2.gz WXLUGDRYYZOMNL-QGZVFWFLSA-N 2 2 351.495 0.715 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H](CCO)c2ccco2)C1 ZINC000248976555 488504559 /nfs/dbraw/zinc/50/45/59/488504559.db2.gz HTPWSQCSJZMIHT-JKSUJKDBSA-N 2 2 353.463 0.766 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H](CCO)c2ccco2)C1 ZINC000248976555 488504560 /nfs/dbraw/zinc/50/45/60/488504560.db2.gz HTPWSQCSJZMIHT-JKSUJKDBSA-N 2 2 353.463 0.766 10 0 FCAELP C[NH+](C)C[C@@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCO1 ZINC000117041342 488550132 /nfs/dbraw/zinc/55/01/32/488550132.db2.gz CZKKNHWKTVSGOY-GOSISDBHSA-N 3 2 367.538 0.517 10 0 FCAELP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000131199126 488643336 /nfs/dbraw/zinc/64/33/36/488643336.db2.gz HGGODTUMZKDPCO-RTBURBONSA-N 2 2 361.486 0.978 10 0 FCAELP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000131199126 488643338 /nfs/dbraw/zinc/64/33/38/488643338.db2.gz HGGODTUMZKDPCO-RTBURBONSA-N 2 2 361.486 0.978 10 0 FCAELP O=C(NC[C@H](O)C[NH+]1CCOCC1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000132330760 488652559 /nfs/dbraw/zinc/65/25/59/488652559.db2.gz PNSLRVBUZVFNCT-OALUTQOASA-N 2 2 361.486 0.850 10 0 FCAELP O=C(NC[C@H](O)C[NH+]1CCOCC1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000132330760 488652562 /nfs/dbraw/zinc/65/25/62/488652562.db2.gz PNSLRVBUZVFNCT-OALUTQOASA-N 2 2 361.486 0.850 10 0 FCAELP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000145813672 488693603 /nfs/dbraw/zinc/69/36/03/488693603.db2.gz QIRUXBBVAQJHPR-GOSISDBHSA-N 2 2 373.501 0.583 10 0 FCAELP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000266782801 488729757 /nfs/dbraw/zinc/72/97/57/488729757.db2.gz WVTHTSUAOBVIFD-UHFFFAOYSA-N 2 2 373.457 0.432 10 0 FCAELP CC[NH+]1CCC([N@H+](C)CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CC1 ZINC000157448629 488771490 /nfs/dbraw/zinc/77/14/90/488771490.db2.gz ILTONUIWPYTRCK-GOSISDBHSA-N 3 2 354.539 0.876 10 0 FCAELP CC[NH+]1CCC([N@@H+](C)CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CC1 ZINC000157448629 488771493 /nfs/dbraw/zinc/77/14/93/488771493.db2.gz ILTONUIWPYTRCK-GOSISDBHSA-N 3 2 354.539 0.876 10 0 FCAELP CC[NH+]1CCC([NH+](C)CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000157448629 488771494 /nfs/dbraw/zinc/77/14/94/488771494.db2.gz ILTONUIWPYTRCK-GOSISDBHSA-N 3 2 354.539 0.876 10 0 FCAELP CC[NH+]1CCC([NH+](C)CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000157448629 488771497 /nfs/dbraw/zinc/77/14/97/488771497.db2.gz ILTONUIWPYTRCK-GOSISDBHSA-N 3 2 354.539 0.876 10 0 FCAELP CC[NH+]1CCC([N@H+](C)CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CC1 ZINC000157448785 488771631 /nfs/dbraw/zinc/77/16/31/488771631.db2.gz ILTONUIWPYTRCK-SFHVURJKSA-N 3 2 354.539 0.876 10 0 FCAELP CC[NH+]1CCC([N@@H+](C)CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CC1 ZINC000157448785 488771633 /nfs/dbraw/zinc/77/16/33/488771633.db2.gz ILTONUIWPYTRCK-SFHVURJKSA-N 3 2 354.539 0.876 10 0 FCAELP CC[NH+]1CCC([NH+](C)CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000157448785 488771635 /nfs/dbraw/zinc/77/16/35/488771635.db2.gz ILTONUIWPYTRCK-SFHVURJKSA-N 3 2 354.539 0.876 10 0 FCAELP CC[NH+]1CCC([NH+](C)CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000157448785 488771636 /nfs/dbraw/zinc/77/16/36/488771636.db2.gz ILTONUIWPYTRCK-SFHVURJKSA-N 3 2 354.539 0.876 10 0 FCAELP C[N@@H+]1CCN(C(=O)CNC(=O)c2cc3c(s2)CCCC3)[C@@H](C[NH3+])C1 ZINC000162504494 488803584 /nfs/dbraw/zinc/80/35/84/488803584.db2.gz FDOBDJGQHHBOQR-ZDUSSCGKSA-N 2 2 350.488 0.458 10 0 FCAELP C[N@H+]1CCN(C(=O)CNC(=O)c2cc3c(s2)CCCC3)[C@@H](C[NH3+])C1 ZINC000162504494 488803585 /nfs/dbraw/zinc/80/35/85/488803585.db2.gz FDOBDJGQHHBOQR-ZDUSSCGKSA-N 2 2 350.488 0.458 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(N(C)c3cccnn3)CC2)CC1 ZINC000170941423 488818523 /nfs/dbraw/zinc/81/85/23/488818523.db2.gz ABQBNRSZHHBGDV-INIZCTEOSA-N 2 2 360.506 0.930 10 0 FCAELP CN(C)c1[nH+]cccc1CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000171564650 488824050 /nfs/dbraw/zinc/82/40/50/488824050.db2.gz HEIFVIPRGPSXBM-UHFFFAOYSA-N 2 2 374.489 0.597 10 0 FCAELP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171903883 488828264 /nfs/dbraw/zinc/82/82/64/488828264.db2.gz GRWLGCXGIJCWBH-DOTOQJQBSA-N 2 2 354.520 0.684 10 0 FCAELP C[NH+]1CCN(c2cc(C(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)ccn2)CC1 ZINC000172749697 488837568 /nfs/dbraw/zinc/83/75/68/488837568.db2.gz XFANUWFVFPSLHB-QGZVFWFLSA-N 2 2 359.474 0.380 10 0 FCAELP CC(C)[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[NH+]1CCN(C)CC1 ZINC000173795549 488845464 /nfs/dbraw/zinc/84/54/64/488845464.db2.gz QLDKATOMELTGSF-ZWKOTPCHSA-N 2 2 367.538 0.375 10 0 FCAELP C[NH+]1CCC(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)([NH+]2CCCCC2)CC1 ZINC000174748341 488850820 /nfs/dbraw/zinc/85/08/20/488850820.db2.gz NCRCUEVYZLKUEY-QGZVFWFLSA-N 3 2 367.538 0.567 10 0 FCAELP C[NH+]1CCC(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)([NH+]2CCCCC2)CC1 ZINC000174748341 488850821 /nfs/dbraw/zinc/85/08/21/488850821.db2.gz NCRCUEVYZLKUEY-QGZVFWFLSA-N 3 2 367.538 0.567 10 0 FCAELP C[C@@H](CNC(=O)N1CCC(OCCC[NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000175603567 488854561 /nfs/dbraw/zinc/85/45/61/488854561.db2.gz WKENTZDPWJXCNZ-INIZCTEOSA-N 2 2 356.511 0.849 10 0 FCAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H](C)C1 ZINC000175720353 488855301 /nfs/dbraw/zinc/85/53/01/488855301.db2.gz LHQMUZZSZMALEO-IAGOWNOFSA-N 3 2 354.539 0.876 10 0 FCAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H](C)C1 ZINC000175720353 488855302 /nfs/dbraw/zinc/85/53/02/488855302.db2.gz LHQMUZZSZMALEO-IAGOWNOFSA-N 3 2 354.539 0.876 10 0 FCAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H](C)C1 ZINC000175720353 488855303 /nfs/dbraw/zinc/85/53/03/488855303.db2.gz LHQMUZZSZMALEO-IAGOWNOFSA-N 3 2 354.539 0.876 10 0 FCAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H](C)C1 ZINC000175720353 488855304 /nfs/dbraw/zinc/85/53/04/488855304.db2.gz LHQMUZZSZMALEO-IAGOWNOFSA-N 3 2 354.539 0.876 10 0 FCAELP CC[N@@H+]1CC[C@@H](N(C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H](C)C1 ZINC000175720353 488855305 /nfs/dbraw/zinc/85/53/05/488855305.db2.gz LHQMUZZSZMALEO-IAGOWNOFSA-N 2 2 354.539 0.876 10 0 FCAELP CC[N@H+]1CC[C@@H](N(C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H](C)C1 ZINC000175720353 488855306 /nfs/dbraw/zinc/85/53/06/488855306.db2.gz LHQMUZZSZMALEO-IAGOWNOFSA-N 2 2 354.539 0.876 10 0 FCAELP C[N@H+](C[C@H](O)CN1CCOCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000175784600 488855686 /nfs/dbraw/zinc/85/56/86/488855686.db2.gz UAXDLLJWKQLGGM-FQEVSTJZSA-N 2 2 362.518 0.713 10 0 FCAELP C[N@@H+](C[C@H](O)CN1CCOCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000175784600 488855687 /nfs/dbraw/zinc/85/56/87/488855687.db2.gz UAXDLLJWKQLGGM-FQEVSTJZSA-N 2 2 362.518 0.713 10 0 FCAELP CC[C@@H]1CN(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000181844234 488863766 /nfs/dbraw/zinc/86/37/66/488863766.db2.gz JIPLWMGVQKDFBG-KZNAEPCWSA-N 2 2 369.554 0.357 10 0 FCAELP CC[C@@H]1CN(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC[N@H+]1C[C@@H](C)O ZINC000181844234 488863767 /nfs/dbraw/zinc/86/37/67/488863767.db2.gz JIPLWMGVQKDFBG-KZNAEPCWSA-N 2 2 369.554 0.357 10 0 FCAELP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000288474927 488984541 /nfs/dbraw/zinc/98/45/41/488984541.db2.gz RGHSBTJQRGOBPH-ZWKOTPCHSA-N 2 2 374.485 0.339 10 0 FCAELP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000288474927 488984543 /nfs/dbraw/zinc/98/45/43/488984543.db2.gz RGHSBTJQRGOBPH-ZWKOTPCHSA-N 2 2 374.485 0.339 10 0 FCAELP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000288474921 488984764 /nfs/dbraw/zinc/98/47/64/488984764.db2.gz RGHSBTJQRGOBPH-QZTJIDSGSA-N 2 2 374.485 0.339 10 0 FCAELP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000288474921 488984768 /nfs/dbraw/zinc/98/47/68/488984768.db2.gz RGHSBTJQRGOBPH-QZTJIDSGSA-N 2 2 374.485 0.339 10 0 FCAELP CN(C)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000364760085 488998617 /nfs/dbraw/zinc/99/86/17/488998617.db2.gz UZQOEEUASLKPIF-OAHLLOKOSA-N 2 2 374.489 0.371 10 0 FCAELP CN(C)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000364760085 488998621 /nfs/dbraw/zinc/99/86/21/488998621.db2.gz UZQOEEUASLKPIF-OAHLLOKOSA-N 2 2 374.489 0.371 10 0 FCAELP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000570306292 491232255 /nfs/dbraw/zinc/23/22/55/491232255.db2.gz JHINJCFKNGCMFL-QZTJIDSGSA-N 2 2 368.547 0.979 10 0 FCAELP COC[C@H](C)OC[C@@H](O)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000365711375 489102757 /nfs/dbraw/zinc/10/27/57/489102757.db2.gz KRGXZYPWAFAWDV-YSIASYRMSA-N 2 2 366.502 0.968 10 0 FCAELP COC[C@H](C)OC[C@@H](O)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000365711375 489102758 /nfs/dbraw/zinc/10/27/58/489102758.db2.gz KRGXZYPWAFAWDV-YSIASYRMSA-N 2 2 366.502 0.968 10 0 FCAELP COC[C@H](C)OC[C@@H](O)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000365711375 489102761 /nfs/dbraw/zinc/10/27/61/489102761.db2.gz KRGXZYPWAFAWDV-YSIASYRMSA-N 2 2 366.502 0.968 10 0 FCAELP COC[C@H](C)OC[C@@H](O)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000365711375 489102762 /nfs/dbraw/zinc/10/27/62/489102762.db2.gz KRGXZYPWAFAWDV-YSIASYRMSA-N 2 2 366.502 0.968 10 0 FCAELP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000290299481 489128962 /nfs/dbraw/zinc/12/89/62/489128962.db2.gz CDHPPKBEJUXTGN-JKSUJKDBSA-N 2 2 357.458 0.473 10 0 FCAELP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000290299481 489128966 /nfs/dbraw/zinc/12/89/66/489128966.db2.gz CDHPPKBEJUXTGN-JKSUJKDBSA-N 2 2 357.458 0.473 10 0 FCAELP CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000331003042 489164456 /nfs/dbraw/zinc/16/44/56/489164456.db2.gz KPKHXUBHRJQOPG-INIZCTEOSA-N 2 2 355.504 0.825 10 0 FCAELP CCOC(=O)N1CCC(NC(=O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)CC1 ZINC000366484544 489188177 /nfs/dbraw/zinc/18/81/77/489188177.db2.gz TZKMYDZAVBKBSG-SFHVURJKSA-N 2 2 352.479 0.751 10 0 FCAELP CCOC(=O)N1CCC(NC(=O)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)CC1 ZINC000366484544 489188180 /nfs/dbraw/zinc/18/81/80/489188180.db2.gz TZKMYDZAVBKBSG-SFHVURJKSA-N 2 2 352.479 0.751 10 0 FCAELP CCOC(=O)N1CCC(NC(=O)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000366484544 489188183 /nfs/dbraw/zinc/18/81/83/489188183.db2.gz TZKMYDZAVBKBSG-SFHVURJKSA-N 2 2 352.479 0.751 10 0 FCAELP CCOC(=O)N1CCC(NC(=O)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000366484544 489188185 /nfs/dbraw/zinc/18/81/85/489188185.db2.gz TZKMYDZAVBKBSG-SFHVURJKSA-N 2 2 352.479 0.751 10 0 FCAELP C[NH+](C)CCN1CCC(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)CC1 ZINC000332796503 489232210 /nfs/dbraw/zinc/23/22/10/489232210.db2.gz TZTOZWMUTLVNHC-IAGOWNOFSA-N 2 2 353.511 0.127 10 0 FCAELP C[NH+](C)CCN1CCC(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000332796503 489232212 /nfs/dbraw/zinc/23/22/12/489232212.db2.gz TZTOZWMUTLVNHC-IAGOWNOFSA-N 2 2 353.511 0.127 10 0 FCAELP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)C1 ZINC000297936745 489265389 /nfs/dbraw/zinc/26/53/89/489265389.db2.gz DYSXAUPLMFEYSL-DLBZAZTESA-N 2 2 373.501 0.919 10 0 FCAELP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)C1 ZINC000297936745 489265392 /nfs/dbraw/zinc/26/53/92/489265392.db2.gz DYSXAUPLMFEYSL-DLBZAZTESA-N 2 2 373.501 0.919 10 0 FCAELP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000285933176 489335575 /nfs/dbraw/zinc/33/55/75/489335575.db2.gz HENOAFQWVCLSIS-GDBMZVCRSA-N 2 2 359.474 0.778 10 0 FCAELP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000285933176 489335577 /nfs/dbraw/zinc/33/55/77/489335577.db2.gz HENOAFQWVCLSIS-GDBMZVCRSA-N 2 2 359.474 0.778 10 0 FCAELP COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000298721307 489356528 /nfs/dbraw/zinc/35/65/28/489356528.db2.gz KTDHFZFDAWPWHI-INIZCTEOSA-N 2 2 361.442 0.952 10 0 FCAELP COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000298721307 489356531 /nfs/dbraw/zinc/35/65/31/489356531.db2.gz KTDHFZFDAWPWHI-INIZCTEOSA-N 2 2 361.442 0.952 10 0 FCAELP COC(=O)C[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)C1CCCC1 ZINC000370540638 489372460 /nfs/dbraw/zinc/37/24/60/489372460.db2.gz VLOWLSQYPVEZNK-QGZVFWFLSA-N 2 2 369.506 0.877 10 0 FCAELP COC(=O)C[N@@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)C1CCCC1 ZINC000370540638 489372462 /nfs/dbraw/zinc/37/24/62/489372462.db2.gz VLOWLSQYPVEZNK-QGZVFWFLSA-N 2 2 369.506 0.877 10 0 FCAELP COC(=O)C[NH+](CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C1CCCC1 ZINC000370540638 489372465 /nfs/dbraw/zinc/37/24/65/489372465.db2.gz VLOWLSQYPVEZNK-QGZVFWFLSA-N 2 2 369.506 0.877 10 0 FCAELP COC(=O)C[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)C1CCCC1 ZINC000370540638 489372468 /nfs/dbraw/zinc/37/24/68/489372468.db2.gz VLOWLSQYPVEZNK-QGZVFWFLSA-N 2 2 369.506 0.877 10 0 FCAELP C[NH+]1CCN(c2cc(C(=O)N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)ccn2)CC1 ZINC000363129741 489427781 /nfs/dbraw/zinc/42/77/81/489427781.db2.gz LDLWBAOUVJUGDN-ZWKOTPCHSA-N 2 2 373.501 0.505 10 0 FCAELP C[N@@H+]1CCC[C@H](N2CC[NH+](CC(=O)N3CCO[C@H]4CCCC[C@@H]43)CC2)C1 ZINC000363217828 489439475 /nfs/dbraw/zinc/43/94/75/489439475.db2.gz CDIMVVSBUQJXLF-FHWLQOOXSA-N 2 2 364.534 0.868 10 0 FCAELP C[N@H+]1CCC[C@H](N2CC[NH+](CC(=O)N3CCO[C@H]4CCCC[C@@H]43)CC2)C1 ZINC000363217828 489439478 /nfs/dbraw/zinc/43/94/78/489439478.db2.gz CDIMVVSBUQJXLF-FHWLQOOXSA-N 2 2 364.534 0.868 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)N[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)cc[nH+]1 ZINC000286969837 489447215 /nfs/dbraw/zinc/44/72/15/489447215.db2.gz AIZRPPLRNHUHPI-JKSUJKDBSA-N 2 2 374.489 0.423 10 0 FCAELP CCN1C(=O)N=NC1C1CC[NH+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000371289889 489474075 /nfs/dbraw/zinc/47/40/75/489474075.db2.gz QIULIFOJSGYURR-CQSZACIVSA-N 2 2 364.494 0.736 10 0 FCAELP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)[C@H](C)C1 ZINC000287293616 489475688 /nfs/dbraw/zinc/47/56/88/489475688.db2.gz ZQTBQMFVDHEZOF-HUUCEWRRSA-N 2 2 358.446 0.864 10 0 FCAELP C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)[C@H](C)C1 ZINC000287293616 489475689 /nfs/dbraw/zinc/47/56/89/489475689.db2.gz ZQTBQMFVDHEZOF-HUUCEWRRSA-N 2 2 358.446 0.864 10 0 FCAELP CN(C)S(=O)(=O)c1cccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000423160154 489498225 /nfs/dbraw/zinc/49/82/25/489498225.db2.gz YZAHETRVUQWBTG-IAGOWNOFSA-N 2 2 353.488 0.794 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CNC(C)(C)C[NH+]2CCCC2)C1 ZINC000452086633 489544560 /nfs/dbraw/zinc/54/45/60/489544560.db2.gz LNXCLBDIKKCRJY-KRWDZBQOSA-N 2 2 354.539 0.923 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CNC(C)(C)C[NH+]2CCCC2)C1 ZINC000452086633 489544562 /nfs/dbraw/zinc/54/45/62/489544562.db2.gz LNXCLBDIKKCRJY-KRWDZBQOSA-N 2 2 354.539 0.923 10 0 FCAELP O=C(Nc1ccccc1C[NH+]1CCOCC1)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000415762207 489550555 /nfs/dbraw/zinc/55/05/55/489550555.db2.gz HFAVBLSOVFZOMB-IAGOWNOFSA-N 2 2 372.469 0.668 10 0 FCAELP C[C@@H](c1cccc(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H]2C)c1)[NH+]1CCOCC1 ZINC000415830148 489556593 /nfs/dbraw/zinc/55/65/93/489556593.db2.gz LQYQQNXRJVKRKA-ZQIUZPCESA-N 2 2 360.458 0.966 10 0 FCAELP O=C(CC[N@@H+]1CCc2ccccc2C1)N(CCO)CC[NH+]1CCOCC1 ZINC000416182830 489573017 /nfs/dbraw/zinc/57/30/17/489573017.db2.gz WLBXEAQYUZPUGA-UHFFFAOYSA-N 2 2 361.486 0.588 10 0 FCAELP O=C(CC[N@H+]1CCc2ccccc2C1)N(CCO)CC[NH+]1CCOCC1 ZINC000416182830 489573019 /nfs/dbraw/zinc/57/30/19/489573019.db2.gz WLBXEAQYUZPUGA-UHFFFAOYSA-N 2 2 361.486 0.588 10 0 FCAELP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3C[N@@H+]4CCN3CCC4)c[nH+]2)C[C@@H](C)O1 ZINC000372356673 489574615 /nfs/dbraw/zinc/57/46/15/489574615.db2.gz MJFQHTLIQSFOAJ-JFIYKMOQSA-N 2 2 373.501 0.701 10 0 FCAELP C[C@@H]1C[N@H+](CCO)CCN1C(=O)C[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000457111858 489636906 /nfs/dbraw/zinc/63/69/06/489636906.db2.gz FOCQOFFJNXEWLJ-MJGOQNOKSA-N 2 2 361.486 0.803 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)C[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000457111858 489636908 /nfs/dbraw/zinc/63/69/08/489636908.db2.gz FOCQOFFJNXEWLJ-MJGOQNOKSA-N 2 2 361.486 0.803 10 0 FCAELP C[C@@H]1C[NH+](CCO)CCN1C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000457111858 489636911 /nfs/dbraw/zinc/63/69/11/489636911.db2.gz FOCQOFFJNXEWLJ-MJGOQNOKSA-N 2 2 361.486 0.803 10 0 FCAELP C[C@@H]1C[NH+](CCO)CCN1C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000457111858 489636913 /nfs/dbraw/zinc/63/69/13/489636913.db2.gz FOCQOFFJNXEWLJ-MJGOQNOKSA-N 2 2 361.486 0.803 10 0 FCAELP CC[C@@H](COC)[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000372817611 489639408 /nfs/dbraw/zinc/63/94/08/489639408.db2.gz IHWCFPDDJRRPPL-CVEARBPZSA-N 2 2 363.506 0.848 10 0 FCAELP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417365071 489649322 /nfs/dbraw/zinc/64/93/22/489649322.db2.gz IJLTWXKFAOUMMF-GJZGRUSLSA-N 2 2 360.462 0.251 10 0 FCAELP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cn1 ZINC000372927224 489652673 /nfs/dbraw/zinc/65/26/73/489652673.db2.gz USMFECCPIYRWAN-ZDUSSCGKSA-N 2 2 372.429 0.039 10 0 FCAELP O=C(NCCC[C@H]1CCC[NH2+]1)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000417703278 489661862 /nfs/dbraw/zinc/66/18/62/489661862.db2.gz JXSNLLWPPFUZEH-QGZVFWFLSA-N 2 2 365.522 0.762 10 0 FCAELP C[NH+]1CCN(C(=O)CC[NH+]2CCN(C(=O)C3CCCCC3)CC2)CC1 ZINC000429672636 489695463 /nfs/dbraw/zinc/69/54/63/489695463.db2.gz RSMOSVSAFSJBAP-UHFFFAOYSA-N 2 2 350.507 0.875 10 0 FCAELP CNC(=O)[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C(C)C ZINC000489181295 489699402 /nfs/dbraw/zinc/69/94/02/489699402.db2.gz ICEWWEXRLYODJX-INIZCTEOSA-N 2 2 352.504 0.753 10 0 FCAELP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000418444850 489699508 /nfs/dbraw/zinc/69/95/08/489699508.db2.gz GTXKFKHCDJTUFM-RHSMWYFYSA-N 2 2 359.474 0.681 10 0 FCAELP O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418847046 489754073 /nfs/dbraw/zinc/75/40/73/489754073.db2.gz UHUVZJAQVZCBRT-IYBDPMFKSA-N 2 2 353.426 0.841 10 0 FCAELP CC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000418868870 489766741 /nfs/dbraw/zinc/76/67/41/489766741.db2.gz QGRBWQVIOBQTMG-DYQSUWPFSA-N 2 2 372.391 0.819 10 0 FCAELP CC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000418868870 489766747 /nfs/dbraw/zinc/76/67/47/489766747.db2.gz QGRBWQVIOBQTMG-DYQSUWPFSA-N 2 2 372.391 0.819 10 0 FCAELP C[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000418871873 489767768 /nfs/dbraw/zinc/76/77/68/489767768.db2.gz VGHQGCLSJAGUMP-HOTGVXAUSA-N 2 2 368.428 0.940 10 0 FCAELP C[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000418871873 489767773 /nfs/dbraw/zinc/76/77/73/489767773.db2.gz VGHQGCLSJAGUMP-HOTGVXAUSA-N 2 2 368.428 0.940 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@H](CO)c3cccnc3)C2)CC1 ZINC000376704644 489779930 /nfs/dbraw/zinc/77/99/30/489779930.db2.gz BKWDVUWSZOYKKL-IAGOWNOFSA-N 2 2 361.490 0.625 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@H](CO)c3cccnc3)C2)CC1 ZINC000376704644 489779933 /nfs/dbraw/zinc/77/99/33/489779933.db2.gz BKWDVUWSZOYKKL-IAGOWNOFSA-N 2 2 361.490 0.625 10 0 FCAELP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000376717961 489783098 /nfs/dbraw/zinc/78/30/98/489783098.db2.gz MUXGQFXNJFGFKT-LSDHHAIUSA-N 2 2 358.446 0.864 10 0 FCAELP C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000376717961 489783105 /nfs/dbraw/zinc/78/31/05/489783105.db2.gz MUXGQFXNJFGFKT-LSDHHAIUSA-N 2 2 358.446 0.864 10 0 FCAELP C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000376717959 489783137 /nfs/dbraw/zinc/78/31/37/489783137.db2.gz MUXGQFXNJFGFKT-GJZGRUSLSA-N 2 2 358.446 0.864 10 0 FCAELP C[C@H](O)C[N@H+]1CCN(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000376717959 489783143 /nfs/dbraw/zinc/78/31/43/489783143.db2.gz MUXGQFXNJFGFKT-GJZGRUSLSA-N 2 2 358.446 0.864 10 0 FCAELP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418909674 489786425 /nfs/dbraw/zinc/78/64/25/489786425.db2.gz OEYRMFCAJSLVCT-CABCVRRESA-N 2 2 354.401 0.552 10 0 FCAELP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418909674 489786430 /nfs/dbraw/zinc/78/64/30/489786430.db2.gz OEYRMFCAJSLVCT-CABCVRRESA-N 2 2 354.401 0.552 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)C[C@@H]1CCCO1 ZINC000459918554 489792979 /nfs/dbraw/zinc/79/29/79/489792979.db2.gz IYOUIYRFOHZNQD-INIZCTEOSA-N 2 2 354.495 0.108 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)C[C@@H]1CCCO1 ZINC000459918554 489792985 /nfs/dbraw/zinc/79/29/85/489792985.db2.gz IYOUIYRFOHZNQD-INIZCTEOSA-N 2 2 354.495 0.108 10 0 FCAELP O=C(C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CC[NH+](C2CC2)CC1 ZINC000459929347 489797061 /nfs/dbraw/zinc/79/70/61/489797061.db2.gz FIIDFDPGOBUEFE-QAPCUYQASA-N 2 2 360.502 0.768 10 0 FCAELP O=C(C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CC[NH+](C2CC2)CC1 ZINC000459929347 489797068 /nfs/dbraw/zinc/79/70/68/489797068.db2.gz FIIDFDPGOBUEFE-QAPCUYQASA-N 2 2 360.502 0.768 10 0 FCAELP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000459934305 489799541 /nfs/dbraw/zinc/79/95/41/489799541.db2.gz NOGIGAQMQBKJLL-UHFFFAOYSA-N 2 2 366.506 0.252 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCO[C@H](C2CC2)C1 ZINC000459986147 489809099 /nfs/dbraw/zinc/80/90/99/489809099.db2.gz FGQAOYGFMMOCQK-KRWDZBQOSA-N 2 2 366.506 0.108 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCO[C@H](C2CC2)C1 ZINC000459986147 489809101 /nfs/dbraw/zinc/80/91/01/489809101.db2.gz FGQAOYGFMMOCQK-KRWDZBQOSA-N 2 2 366.506 0.108 10 0 FCAELP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000419034414 489827827 /nfs/dbraw/zinc/82/78/27/489827827.db2.gz ZNBHFRFYRFUUGJ-DOMZBBRYSA-N 2 2 359.405 0.742 10 0 FCAELP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CC[NH+]2CCC1CC2 ZINC000377105574 489852542 /nfs/dbraw/zinc/85/25/42/489852542.db2.gz NJRGRHBTDHGTGX-KRWDZBQOSA-N 2 2 354.520 0.684 10 0 FCAELP CCOCc1nc([C@@H](C)NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)no1 ZINC000460543501 489872413 /nfs/dbraw/zinc/87/24/13/489872413.db2.gz MZLSAUSLUXFZEU-CYBMUJFWSA-N 2 2 368.482 0.992 10 0 FCAELP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC2)s1 ZINC000420061917 489899124 /nfs/dbraw/zinc/89/91/24/489899124.db2.gz LXWQUFGGMSCQPU-INIZCTEOSA-N 2 2 364.515 0.808 10 0 FCAELP [NH3+]C[C@H](NC(=O)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000420067719 489901096 /nfs/dbraw/zinc/90/10/96/489901096.db2.gz SWQOPDJFYJBTKR-ZBFHGGJFSA-N 2 2 359.474 0.779 10 0 FCAELP [NH3+]C[C@@H](NC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)C1CCCC1 ZINC000420078337 489904076 /nfs/dbraw/zinc/90/40/76/489904076.db2.gz ZDTPCPVIYSPXHG-DLBZAZTESA-N 2 2 366.506 0.333 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)[C@@]2(CO)CCOC2)CC1 ZINC000461368631 489906007 /nfs/dbraw/zinc/90/60/07/489906007.db2.gz AWCOPVMGPDBWTJ-FXAWDEMLSA-N 2 2 361.486 0.975 10 0 FCAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)[C@@]2(CO)CCOC2)CC1 ZINC000461368631 489906010 /nfs/dbraw/zinc/90/60/10/489906010.db2.gz AWCOPVMGPDBWTJ-FXAWDEMLSA-N 2 2 361.486 0.975 10 0 FCAELP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)NCC3([NH3+])CCC3)CC2)s1 ZINC000420089837 489908090 /nfs/dbraw/zinc/90/80/90/489908090.db2.gz KOLKMXFKGMYKHT-UHFFFAOYSA-N 2 2 364.515 0.952 10 0 FCAELP CN(C)CC[N@H+](C)CCCNC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000494833457 489915856 /nfs/dbraw/zinc/91/58/56/489915856.db2.gz BYQNFGXJCNFION-UHFFFAOYSA-N 2 2 362.522 0.447 10 0 FCAELP CN(C)CC[N@@H+](C)CCCNC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000494833457 489915861 /nfs/dbraw/zinc/91/58/61/489915861.db2.gz BYQNFGXJCNFION-UHFFFAOYSA-N 2 2 362.522 0.447 10 0 FCAELP CN(CCCNC(=O)c1cccc(N2CC[NH+](C)CC2)n1)CC[NH+](C)C ZINC000494833457 489915864 /nfs/dbraw/zinc/91/58/64/489915864.db2.gz BYQNFGXJCNFION-UHFFFAOYSA-N 2 2 362.522 0.447 10 0 FCAELP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)cc1 ZINC000420111796 489916600 /nfs/dbraw/zinc/91/66/00/489916600.db2.gz CSYSWLGOTLLZAK-AWEZNQCLSA-N 2 2 362.474 0.550 10 0 FCAELP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)cc1 ZINC000420111796 489916605 /nfs/dbraw/zinc/91/66/05/489916605.db2.gz CSYSWLGOTLLZAK-AWEZNQCLSA-N 2 2 362.474 0.550 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000420121550 489919995 /nfs/dbraw/zinc/91/99/95/489919995.db2.gz KNMRIRNLSQUEBT-HNNXBMFYSA-N 2 2 362.474 0.503 10 0 FCAELP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000420123341 489920147 /nfs/dbraw/zinc/92/01/47/489920147.db2.gz NJBLPJLXURBFFZ-CVEARBPZSA-N 2 2 354.495 0.333 10 0 FCAELP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420351637 489966391 /nfs/dbraw/zinc/96/63/91/489966391.db2.gz AATVCTYZJYHKJG-GUYCJALGSA-N 2 2 366.487 0.737 10 0 FCAELP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420351637 489966395 /nfs/dbraw/zinc/96/63/95/489966395.db2.gz AATVCTYZJYHKJG-GUYCJALGSA-N 2 2 366.487 0.737 10 0 FCAELP CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420402474 489972519 /nfs/dbraw/zinc/97/25/19/489972519.db2.gz QLEYMYXPEAKIDB-ZFWWWQNUSA-N 2 2 363.462 0.999 10 0 FCAELP CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420402474 489972523 /nfs/dbraw/zinc/97/25/23/489972523.db2.gz QLEYMYXPEAKIDB-ZFWWWQNUSA-N 2 2 363.462 0.999 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)NCCC[N@H+](C)Cc2ccccc2)c1 ZINC000421012288 490042671 /nfs/dbraw/zinc/04/26/71/490042671.db2.gz JRHYOLJKFLOJFO-UHFFFAOYSA-N 2 2 357.458 0.717 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)NCCC[N@@H+](C)Cc2ccccc2)c1 ZINC000421012288 490042674 /nfs/dbraw/zinc/04/26/74/490042674.db2.gz JRHYOLJKFLOJFO-UHFFFAOYSA-N 2 2 357.458 0.717 10 0 FCAELP O=C(N1CCC[C@@H](C[NH+]2CCOCC2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000506542886 490101636 /nfs/dbraw/zinc/10/16/36/490101636.db2.gz SLCXIOOQEVKOEK-KRWDZBQOSA-N 2 2 351.491 0.812 10 0 FCAELP Cn1cc[nH+]c1N1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000532992408 490153634 /nfs/dbraw/zinc/15/36/34/490153634.db2.gz GVJSQBJTNUSIBO-UHFFFAOYSA-N 2 2 369.473 0.529 10 0 FCAELP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000556245414 491305620 /nfs/dbraw/zinc/30/56/20/491305620.db2.gz JTRAUVSUZOXDDU-MRXNPFEDSA-N 2 2 359.474 0.767 10 0 FCAELP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000556245414 491305622 /nfs/dbraw/zinc/30/56/22/491305622.db2.gz JTRAUVSUZOXDDU-MRXNPFEDSA-N 2 2 359.474 0.767 10 0 FCAELP C[NH+](C)CCN1C(=O)C[C@@H]([NH+]2CCN(c3ccc(Cl)cn3)CC2)C1=O ZINC000520739311 490183898 /nfs/dbraw/zinc/18/38/98/490183898.db2.gz IVNBVXSHCLSRAY-CQSZACIVSA-N 2 2 365.865 0.546 10 0 FCAELP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000520905979 490204938 /nfs/dbraw/zinc/20/49/38/490204938.db2.gz BDNJZJRKTJHSAD-UHFFFAOYSA-N 2 2 360.458 0.872 10 0 FCAELP CN(C)c1nc(N2CC[NH+](C[C@H](O)COCc3ccco3)CC2)cc[nH+]1 ZINC000533394930 490226732 /nfs/dbraw/zinc/22/67/32/490226732.db2.gz AQRWLDWIZKWWOT-HNNXBMFYSA-N 2 2 361.446 0.835 10 0 FCAELP Cn1c[nH+]c(CCNC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)c1 ZINC000422360389 490276805 /nfs/dbraw/zinc/27/68/05/490276805.db2.gz ZDBBNUTVNYQVJP-UHFFFAOYSA-N 2 2 369.469 0.294 10 0 FCAELP C[C@H]1C[C@H](NC(=O)C(=O)NCCc2cn(C)c[nH+]2)C[N@@H+]1Cc1ccccc1 ZINC000422377064 490288342 /nfs/dbraw/zinc/28/83/42/490288342.db2.gz JLBGYFPYJFLWBY-YJBOKZPZSA-N 2 2 369.469 0.858 10 0 FCAELP C[C@H]1C[C@H](NC(=O)C(=O)NCCc2cn(C)c[nH+]2)C[N@H+]1Cc1ccccc1 ZINC000422377064 490288351 /nfs/dbraw/zinc/28/83/51/490288351.db2.gz JLBGYFPYJFLWBY-YJBOKZPZSA-N 2 2 369.469 0.858 10 0 FCAELP COCCCS(=O)(=O)NCC[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000483219268 490294589 /nfs/dbraw/zinc/29/45/89/490294589.db2.gz JVEVXVUSDNXNNN-UHFFFAOYSA-N 2 2 372.491 0.168 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)N2CC[C@H](C[NH+](C)C)C2)C1=O ZINC000547866984 490369303 /nfs/dbraw/zinc/36/93/03/490369303.db2.gz DIDRXVUYHQVMPC-HUUCEWRRSA-N 2 2 362.478 0.504 10 0 FCAELP COC(=O)CCn1nc(C)c(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c1C ZINC000449396788 490412000 /nfs/dbraw/zinc/41/20/00/490412000.db2.gz SNVQXIHRDWGSHS-MRXNPFEDSA-N 2 2 352.479 0.999 10 0 FCAELP COC(=O)CCn1nc(C)c(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)c1C ZINC000449396788 490412006 /nfs/dbraw/zinc/41/20/06/490412006.db2.gz SNVQXIHRDWGSHS-MRXNPFEDSA-N 2 2 352.479 0.999 10 0 FCAELP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@H]([C@@H](O)C(F)(F)F)C3)cn2)CC1 ZINC000449672344 490420457 /nfs/dbraw/zinc/42/04/57/490420457.db2.gz MMALEENJZJHASZ-ZIAGYGMSSA-N 2 2 359.396 0.974 10 0 FCAELP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@H]([C@@H](O)C(F)(F)F)C3)cn2)CC1 ZINC000449672344 490420458 /nfs/dbraw/zinc/42/04/58/490420458.db2.gz MMALEENJZJHASZ-ZIAGYGMSSA-N 2 2 359.396 0.974 10 0 FCAELP c1cnc(N2CC[NH+](CCCC[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)CC2)nc1 ZINC000422718491 490463969 /nfs/dbraw/zinc/46/39/69/490463969.db2.gz PUJKXQYLSZQGCN-RBUKOAKNSA-N 3 2 374.533 0.735 10 0 FCAELP CN(C)S(=O)(=O)c1ccccc1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422817226 490480042 /nfs/dbraw/zinc/48/00/42/490480042.db2.gz HCBSCVIGOHNEAB-DOTOQJQBSA-N 2 2 353.488 0.794 10 0 FCAELP CS(=O)(=O)c1ccc(OCC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422862959 490488655 /nfs/dbraw/zinc/48/86/55/490488655.db2.gz QVFJKSQFLBAXJB-IAGOWNOFSA-N 2 2 354.472 0.826 10 0 FCAELP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422911924 490495255 /nfs/dbraw/zinc/49/52/55/490495255.db2.gz UWDRHHQTENLQBT-RTBURBONSA-N 3 2 360.502 0.835 10 0 FCAELP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422912621 490496146 /nfs/dbraw/zinc/49/61/46/490496146.db2.gz NPGFNLYXYGAVSU-RBUKOAKNSA-N 3 2 360.502 0.835 10 0 FCAELP CC(=O)[C@](C)(O)C[N@@H+]1CCC[C@@]2(CCC[NH+](C[C@](C)(O)C(C)=O)C2)C1 ZINC000451042341 490510989 /nfs/dbraw/zinc/51/09/89/490510989.db2.gz COZJHAVRMJJOMG-CEXWTWQISA-N 2 2 354.491 0.844 10 0 FCAELP CC(=O)[C@](C)(O)C[N@H+]1CCC[C@@]2(CCC[NH+](C[C@](C)(O)C(C)=O)C2)C1 ZINC000451042341 490510994 /nfs/dbraw/zinc/51/09/94/490510994.db2.gz COZJHAVRMJJOMG-CEXWTWQISA-N 2 2 354.491 0.844 10 0 FCAELP CC(=O)[C@](C)(O)C[NH+]1CCC[C@@]2(CCC[N@H+](C[C@](C)(O)C(C)=O)C2)C1 ZINC000451042341 490510998 /nfs/dbraw/zinc/51/09/98/490510998.db2.gz COZJHAVRMJJOMG-CEXWTWQISA-N 2 2 354.491 0.844 10 0 FCAELP CC(=O)[C@](C)(O)C[NH+]1CCC[C@@]2(CCC[N@@H+](C[C@](C)(O)C(C)=O)C2)C1 ZINC000451042341 490511004 /nfs/dbraw/zinc/51/10/04/490511004.db2.gz COZJHAVRMJJOMG-CEXWTWQISA-N 2 2 354.491 0.844 10 0 FCAELP Cc1cc(S(=O)(=O)NCC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c(C)s1 ZINC000422997826 490514698 /nfs/dbraw/zinc/51/46/98/490514698.db2.gz OQEDOIRSFAEQGF-HOCLYGCPSA-N 2 2 373.544 1.000 10 0 FCAELP C[NH+](C)C1(CNC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CCC1 ZINC000500464142 490520569 /nfs/dbraw/zinc/52/05/69/490520569.db2.gz GFJWGWRFWBCRHP-MRXNPFEDSA-N 2 2 366.506 0.300 10 0 FCAELP C[C@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ncn(C)n1 ZINC000548693901 490530819 /nfs/dbraw/zinc/53/08/19/490530819.db2.gz CJFCAZVRXCUDDN-LSVZVQIISA-N 2 2 361.494 0.829 10 0 FCAELP C[C@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1ncn(C)n1 ZINC000548693901 490530824 /nfs/dbraw/zinc/53/08/24/490530824.db2.gz CJFCAZVRXCUDDN-LSVZVQIISA-N 2 2 361.494 0.829 10 0 FCAELP CC(C)CN(C(=O)C[NH+]1CCC(C[NH+](C)C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000524371707 490534401 /nfs/dbraw/zinc/53/44/01/490534401.db2.gz QGHBTURSLKPYJS-QGZVFWFLSA-N 2 2 373.563 0.932 10 0 FCAELP COCCOC[C@@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000535939651 490542711 /nfs/dbraw/zinc/54/27/11/490542711.db2.gz ZJFIJDROGWSTMB-HRBLRVMOSA-N 2 2 368.522 0.990 10 0 FCAELP COCCOC[C@@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000535939651 490542715 /nfs/dbraw/zinc/54/27/15/490542715.db2.gz ZJFIJDROGWSTMB-HRBLRVMOSA-N 2 2 368.522 0.990 10 0 FCAELP COCCOC[C@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000535939679 490542796 /nfs/dbraw/zinc/54/27/96/490542796.db2.gz ZJFIJDROGWSTMB-XNHLSEOASA-N 2 2 368.522 0.990 10 0 FCAELP COCCOC[C@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000535939679 490542800 /nfs/dbraw/zinc/54/28/00/490542800.db2.gz ZJFIJDROGWSTMB-XNHLSEOASA-N 2 2 368.522 0.990 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H](c2nncn2C)C(C)C)C1 ZINC000510929403 490549360 /nfs/dbraw/zinc/54/93/60/490549360.db2.gz FWEBPUPNGBYMSR-WBVHZDCISA-N 2 2 366.510 0.575 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H](c2nncn2C)C(C)C)C1 ZINC000510929403 490549364 /nfs/dbraw/zinc/54/93/64/490549364.db2.gz FWEBPUPNGBYMSR-WBVHZDCISA-N 2 2 366.510 0.575 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)CC1 ZINC000571885828 491335574 /nfs/dbraw/zinc/33/55/74/491335574.db2.gz RMCDKYXUSDQRJI-OAHLLOKOSA-N 2 2 372.535 0.039 10 0 FCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)CC1 ZINC000571885828 491335575 /nfs/dbraw/zinc/33/55/75/491335575.db2.gz RMCDKYXUSDQRJI-OAHLLOKOSA-N 2 2 372.535 0.039 10 0 FCAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@@]3(CNC(=O)C3)C2)CC1 ZINC000536229646 490562700 /nfs/dbraw/zinc/56/27/00/490562700.db2.gz YSCHNFTVYCTNOW-GOSISDBHSA-N 2 2 351.495 0.324 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@H](N3CCCC3=O)C2)C1 ZINC000536371988 490573687 /nfs/dbraw/zinc/57/36/87/490573687.db2.gz YQWKOSBHYYGMKZ-SJORKVTESA-N 2 2 366.506 0.156 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@H](N3CCCC3=O)C2)C1 ZINC000536371988 490573693 /nfs/dbraw/zinc/57/36/93/490573693.db2.gz YQWKOSBHYYGMKZ-SJORKVTESA-N 2 2 366.506 0.156 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)C1 ZINC000536371988 490573696 /nfs/dbraw/zinc/57/36/96/490573696.db2.gz YQWKOSBHYYGMKZ-SJORKVTESA-N 2 2 366.506 0.156 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@@H](N3CCCC3=O)C2)C1 ZINC000536371988 490573701 /nfs/dbraw/zinc/57/37/01/490573701.db2.gz YQWKOSBHYYGMKZ-SJORKVTESA-N 2 2 366.506 0.156 10 0 FCAELP COC[C@H](C)C[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000525874147 490644154 /nfs/dbraw/zinc/64/41/54/490644154.db2.gz MYEQIYBKWZDIRT-OAHLLOKOSA-N 2 2 356.492 0.406 10 0 FCAELP C[C@H](CNC(=O)NC1CCC([NH+]2CCNCC2)CC1)C[NH+]1CCOCC1 ZINC000572013856 491342777 /nfs/dbraw/zinc/34/27/77/491342777.db2.gz BISBUKMSXNDQBT-WWDZGPRUSA-N 2 2 367.538 0.470 10 0 FCAELP CC[C@@H](CO)[NH+]1CCN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC1 ZINC000537581592 490684043 /nfs/dbraw/zinc/68/40/43/490684043.db2.gz DUMBAZWUUDUCFV-ZDUSSCGKSA-N 2 2 360.462 0.563 10 0 FCAELP C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000503514842 490760609 /nfs/dbraw/zinc/76/06/09/490760609.db2.gz BFVUMUXILBHJAG-FUHWJXTLSA-N 2 2 358.486 0.917 10 0 FCAELP C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000503514842 490760612 /nfs/dbraw/zinc/76/06/12/490760612.db2.gz BFVUMUXILBHJAG-FUHWJXTLSA-N 2 2 358.486 0.917 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)N[C@@H](C)CN3CC[NH+](C)CC3)ccc2[nH+]1 ZINC000539204413 490768946 /nfs/dbraw/zinc/76/89/46/490768946.db2.gz ROZJJESIKOVCMO-ZDUSSCGKSA-N 2 2 358.446 0.333 10 0 FCAELP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000528135317 490780783 /nfs/dbraw/zinc/78/07/83/490780783.db2.gz VOCHDJMZJRIGIN-SFHVURJKSA-N 2 2 363.462 0.341 10 0 FCAELP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000528135317 490780784 /nfs/dbraw/zinc/78/07/84/490780784.db2.gz VOCHDJMZJRIGIN-SFHVURJKSA-N 2 2 363.462 0.341 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+]2C[C@@H](CO)[C@H](CO)C2)CC1 ZINC000528607403 490812406 /nfs/dbraw/zinc/81/24/06/490812406.db2.gz OZVIHURURDALDX-NEWSRXKRSA-N 2 2 361.486 0.424 10 0 FCAELP NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000516636863 490871679 /nfs/dbraw/zinc/87/16/79/490871679.db2.gz YNXWFLUKKMEYRN-CJNGLKHVSA-N 2 2 366.487 0.737 10 0 FCAELP NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000516636863 490871680 /nfs/dbraw/zinc/87/16/80/490871680.db2.gz YNXWFLUKKMEYRN-CJNGLKHVSA-N 2 2 366.487 0.737 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)NCCC[NH+]2CCCC2)C1=O ZINC000542109964 490885586 /nfs/dbraw/zinc/88/55/86/490885586.db2.gz MWPBDCFPRRYNAU-HNNXBMFYSA-N 2 2 362.478 0.696 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000542116587 490885978 /nfs/dbraw/zinc/88/59/78/490885978.db2.gz SXVLMDMQJAKDFN-HIFRSBDPSA-N 2 2 360.462 0.447 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1=O ZINC000542116587 490885980 /nfs/dbraw/zinc/88/59/80/490885980.db2.gz SXVLMDMQJAKDFN-HIFRSBDPSA-N 2 2 360.462 0.447 10 0 FCAELP CC(C)N(C(=O)[C@@H](C)[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1)C(C)C ZINC000530223569 490893552 /nfs/dbraw/zinc/89/35/52/490893552.db2.gz OMFHHCJHBFWVLQ-MRXNPFEDSA-N 2 2 353.511 0.663 10 0 FCAELP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530228401 490894286 /nfs/dbraw/zinc/89/42/86/490894286.db2.gz SJKXMLGSJRIFAE-DLBZAZTESA-N 2 2 365.522 0.809 10 0 FCAELP C(O[C@@H]1CC[NH2+]C1)C1CC[NH+](Cc2nnnn2CC2CCOCC2)CC1 ZINC000530241754 490894976 /nfs/dbraw/zinc/89/49/76/490894976.db2.gz QRVIWADTQZTNFG-QGZVFWFLSA-N 2 2 364.494 0.690 10 0 FCAELP CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CC1 ZINC000543053266 490920360 /nfs/dbraw/zinc/92/03/60/490920360.db2.gz DVXWLXNJNQEKDF-OAHLLOKOSA-N 2 2 362.478 0.648 10 0 FCAELP CC[N@H+]1CCCN(C(=O)N[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CC1 ZINC000543053266 490920361 /nfs/dbraw/zinc/92/03/61/490920361.db2.gz DVXWLXNJNQEKDF-OAHLLOKOSA-N 2 2 362.478 0.648 10 0 FCAELP CC[NH+](CC)CCNC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000543968666 490953320 /nfs/dbraw/zinc/95/33/20/490953320.db2.gz XDNDXQMSLUIEDY-AWEZNQCLSA-N 2 2 350.467 0.552 10 0 FCAELP COCC[N@H+](C)CCCNC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000519291995 490968249 /nfs/dbraw/zinc/96/82/49/490968249.db2.gz JNYHYGILJRHGCK-UHFFFAOYSA-N 2 2 352.483 0.216 10 0 FCAELP COCC[N@@H+](C)CCCNC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000519291995 490968252 /nfs/dbraw/zinc/96/82/52/490968252.db2.gz JNYHYGILJRHGCK-UHFFFAOYSA-N 2 2 352.483 0.216 10 0 FCAELP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000544527809 490971168 /nfs/dbraw/zinc/97/11/68/490971168.db2.gz BAPLTCIPORPKTH-HOJAQTOUSA-N 2 2 372.513 0.782 10 0 FCAELP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000544527809 490971169 /nfs/dbraw/zinc/97/11/69/490971169.db2.gz BAPLTCIPORPKTH-HOJAQTOUSA-N 2 2 372.513 0.782 10 0 FCAELP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCN2CCOC[C@@H]2C1 ZINC000544527809 490971170 /nfs/dbraw/zinc/97/11/70/490971170.db2.gz BAPLTCIPORPKTH-HOJAQTOUSA-N 2 2 372.513 0.782 10 0 FCAELP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCN2CCOC[C@@H]2C1 ZINC000544527809 490971172 /nfs/dbraw/zinc/97/11/72/490971172.db2.gz BAPLTCIPORPKTH-HOJAQTOUSA-N 2 2 372.513 0.782 10 0 FCAELP Cc1nnc([C@@H](C)[NH2+]CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)s1 ZINC000544759694 490979506 /nfs/dbraw/zinc/97/95/06/490979506.db2.gz PFMZDGXVCXXJOI-TZMCWYRMSA-N 2 2 355.508 0.970 10 0 FCAELP Cc1nnc([C@@H](C)[NH2+]CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)s1 ZINC000544759694 490979507 /nfs/dbraw/zinc/97/95/07/490979507.db2.gz PFMZDGXVCXXJOI-TZMCWYRMSA-N 2 2 355.508 0.970 10 0 FCAELP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000565333071 491370561 /nfs/dbraw/zinc/37/05/61/491370561.db2.gz VHKWSUJCRXBPRZ-AWEZNQCLSA-N 2 2 360.462 0.102 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]C[C@@H](O)COc2ccccc2)C1=O ZINC000565359292 491371753 /nfs/dbraw/zinc/37/17/53/491371753.db2.gz SPDMGMUHHYVPHG-WBVHZDCISA-N 2 2 358.442 0.941 10 0 FCAELP C[NH+](C)CC1CCC(NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000557391321 491372270 /nfs/dbraw/zinc/37/22/70/491372270.db2.gz STJNPZAWGBIWMS-UHFFFAOYSA-N 2 2 373.501 0.967 10 0 FCAELP O=C(Cn1cc[nH+]c1)NCc1cccc(CNC(=O)Cn2cc[nH+]c2)c1 ZINC000572992239 491405872 /nfs/dbraw/zinc/40/58/72/491405872.db2.gz XPRCHNKHIQVGNV-UHFFFAOYSA-N 2 2 352.398 0.712 10 0 FCAELP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000558228870 491421072 /nfs/dbraw/zinc/42/10/72/491421072.db2.gz PJAHSBVEMFFYHX-BRWVUGGUSA-N 2 2 368.522 0.593 10 0 FCAELP [NH3+]CCCCn1cc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)nn1 ZINC000573243922 491421943 /nfs/dbraw/zinc/42/19/43/491421943.db2.gz HVECPPJVJZLDDI-OAHLLOKOSA-N 2 2 350.467 0.344 10 0 FCAELP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])C1 ZINC000573370910 491429421 /nfs/dbraw/zinc/42/94/21/491429421.db2.gz QCXHGWFDZHLKAW-DOTOQJQBSA-N 2 2 367.453 0.821 10 0 FCAELP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])C1 ZINC000573370911 491429430 /nfs/dbraw/zinc/42/94/30/491429430.db2.gz QCXHGWFDZHLKAW-NVXWUHKLSA-N 2 2 367.453 0.821 10 0 FCAELP COCC[NH2+]C1CCN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000573572208 491441504 /nfs/dbraw/zinc/44/15/04/491441504.db2.gz VUAJAZUNLHXBGZ-UHFFFAOYSA-N 2 2 359.430 0.178 10 0 FCAELP CCOC(=O)c1cnc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)n1C ZINC000573583099 491442008 /nfs/dbraw/zinc/44/20/08/491442008.db2.gz ITSGPYNGCLXLBD-UHFFFAOYSA-N 2 2 366.466 0.744 10 0 FCAELP COc1cc[nH+]c(N2CC[NH+](C[C@H]3CCN(S(C)(=O)=O)C3)CC2)c1 ZINC000558724143 491443802 /nfs/dbraw/zinc/44/38/02/491443802.db2.gz ABDXJTDPGABLMK-CQSZACIVSA-N 2 2 354.476 0.494 10 0 FCAELP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000573943127 491464535 /nfs/dbraw/zinc/46/45/35/491464535.db2.gz AAZUQRGMFDEWSA-AWEZNQCLSA-N 2 2 357.414 0.454 10 0 FCAELP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000566863060 491471546 /nfs/dbraw/zinc/47/15/46/491471546.db2.gz DWWGOOWDGIADBR-AWEZNQCLSA-N 2 2 356.430 0.568 10 0 FCAELP CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000567250180 491494968 /nfs/dbraw/zinc/49/49/68/491494968.db2.gz CRWWWTCGMLUALL-HUUCEWRRSA-N 2 2 354.401 0.633 10 0 FCAELP CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000567250180 491494970 /nfs/dbraw/zinc/49/49/70/491494970.db2.gz CRWWWTCGMLUALL-HUUCEWRRSA-N 2 2 354.401 0.633 10 0 FCAELP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000559834304 491503238 /nfs/dbraw/zinc/50/32/38/491503238.db2.gz GCRGGHLIGTYZFP-UHFFFAOYSA-N 2 2 365.478 0.269 10 0 FCAELP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000567463740 491507709 /nfs/dbraw/zinc/50/77/09/491507709.db2.gz DQFQLHOKPODQFT-ZACQAIPSSA-N 2 2 354.495 0.338 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000567463740 491507711 /nfs/dbraw/zinc/50/77/11/491507711.db2.gz DQFQLHOKPODQFT-ZACQAIPSSA-N 2 2 354.495 0.338 10 0 FCAELP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000567463737 491507832 /nfs/dbraw/zinc/50/78/32/491507832.db2.gz DQFQLHOKPODQFT-BRWVUGGUSA-N 2 2 354.495 0.338 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000567463737 491507835 /nfs/dbraw/zinc/50/78/35/491507835.db2.gz DQFQLHOKPODQFT-BRWVUGGUSA-N 2 2 354.495 0.338 10 0 FCAELP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000559903607 491509031 /nfs/dbraw/zinc/50/90/31/491509031.db2.gz YKRYYJZLJOXLHZ-MRXNPFEDSA-N 2 2 373.501 0.967 10 0 FCAELP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000559903607 491509034 /nfs/dbraw/zinc/50/90/34/491509034.db2.gz YKRYYJZLJOXLHZ-MRXNPFEDSA-N 2 2 373.501 0.967 10 0 FCAELP C[NH+]1CCC(CNC(=O)[C@@H]2CCc3nncn3C2)([NH+]2CCCCC2)CC1 ZINC000560020651 491515759 /nfs/dbraw/zinc/51/57/59/491515759.db2.gz PCHNVDZIULOOJR-MRXNPFEDSA-N 2 2 360.506 0.907 10 0 FCAELP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000560023376 491515996 /nfs/dbraw/zinc/51/59/96/491515996.db2.gz ARLGLSFWFLQFDN-IRXDYDNUSA-N 2 2 371.485 0.910 10 0 FCAELP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000560023376 491515997 /nfs/dbraw/zinc/51/59/97/491515997.db2.gz ARLGLSFWFLQFDN-IRXDYDNUSA-N 2 2 371.485 0.910 10 0 FCAELP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000560023367 491516019 /nfs/dbraw/zinc/51/60/19/491516019.db2.gz ARLGLSFWFLQFDN-DLBZAZTESA-N 2 2 371.485 0.910 10 0 FCAELP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000560023367 491516020 /nfs/dbraw/zinc/51/60/20/491516020.db2.gz ARLGLSFWFLQFDN-DLBZAZTESA-N 2 2 371.485 0.910 10 0 FCAELP O=C(NC1C[NH2+]C1)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000567597767 491516630 /nfs/dbraw/zinc/51/66/30/491516630.db2.gz XEOPWXJLKYXABG-NSHDSACASA-N 2 2 352.385 0.133 10 0 FCAELP O=C(NC1C[NH2+]C1)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000567597767 491516632 /nfs/dbraw/zinc/51/66/32/491516632.db2.gz XEOPWXJLKYXABG-NSHDSACASA-N 2 2 352.385 0.133 10 0 FCAELP CC(C)[C@H](CNC(=O)C[NH+]1CC(C)(C)C1)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000567748958 491526990 /nfs/dbraw/zinc/52/69/90/491526990.db2.gz AXBMXCUCZDCGLT-HNNXBMFYSA-N 2 2 352.523 0.927 10 0 FCAELP COC(=O)CC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000567779418 491528953 /nfs/dbraw/zinc/52/89/53/491528953.db2.gz SCYFCDMXNWVAAK-GXTWGEPZSA-N 2 2 350.419 0.203 10 0 FCAELP COC(=O)CC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000567779421 491528970 /nfs/dbraw/zinc/52/89/70/491528970.db2.gz SCYFCDMXNWVAAK-TZMCWYRMSA-N 2 2 350.419 0.203 10 0 FCAELP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000568091313 491553016 /nfs/dbraw/zinc/55/30/16/491553016.db2.gz RZPFTUYYEPINMA-KRWDZBQOSA-N 2 2 371.478 0.796 10 0 FCAELP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000576036441 491577285 /nfs/dbraw/zinc/57/72/85/491577285.db2.gz RHHYVCMPXOSKEL-XWESNNAXSA-N 2 2 367.490 0.615 10 0 FCAELP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000561256800 491590015 /nfs/dbraw/zinc/59/00/15/491590015.db2.gz NEFWMBMTAQAUCI-OAHLLOKOSA-N 2 2 350.488 0.651 10 0 FCAELP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000577235710 491605737 /nfs/dbraw/zinc/60/57/37/491605737.db2.gz KODSFKJVCUBAMB-HNNXBMFYSA-N 2 2 366.425 0.949 10 0 FCAELP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000577259112 491607754 /nfs/dbraw/zinc/60/77/54/491607754.db2.gz FDRCCKFSWLATAC-MRXNPFEDSA-N 2 2 371.441 0.986 10 0 FCAELP O=C(CN1CCC[C@H]([NH+]2CCOCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000577290414 491610390 /nfs/dbraw/zinc/61/03/90/491610390.db2.gz MMOHOVZCBIUKRG-SFHVURJKSA-N 2 2 350.507 0.526 10 0 FCAELP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000576539665 491623880 /nfs/dbraw/zinc/62/38/80/491623880.db2.gz YLHRMOCAPYSARH-HZPDHXFCSA-N 2 2 354.495 0.156 10 0 FCAELP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000577503233 491626924 /nfs/dbraw/zinc/62/69/24/491626924.db2.gz NUAZRPDGIFAGJX-GOSISDBHSA-N 3 2 370.607 0.936 10 0 FCAELP COCCN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CCOC1 ZINC000576686249 491635106 /nfs/dbraw/zinc/63/51/06/491635106.db2.gz KMFCVELKUXXGCD-GOSISDBHSA-N 2 2 368.522 0.992 10 0 FCAELP C[C@@H](NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000577781897 491652259 /nfs/dbraw/zinc/65/22/59/491652259.db2.gz OAFXJRRMCRAYNX-XNIRIUNOSA-N 2 2 368.522 0.448 10 0 FCAELP Cn1nnc2c1C[C@H](C(=O)NCC1([NH+]3CCCCC3)CC[NH+](C)CC1)CC2 ZINC000579169559 491692400 /nfs/dbraw/zinc/69/24/00/491692400.db2.gz DPRDBMGVFYFYBF-MRXNPFEDSA-N 2 2 374.533 0.987 10 0 FCAELP CC[C@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000579324064 491695455 /nfs/dbraw/zinc/69/54/55/491695455.db2.gz ZRWZIWHUTSGVJA-GJZGRUSLSA-N 2 2 362.478 0.647 10 0 FCAELP CC[C@H]1C[N@@H+](C)CCN1C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000579324064 491695456 /nfs/dbraw/zinc/69/54/56/491695456.db2.gz ZRWZIWHUTSGVJA-GJZGRUSLSA-N 2 2 362.478 0.647 10 0 FCAELP C[N@@H+]1CC[C@H](NC(=O)C(=O)NC2C[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000579816259 491705871 /nfs/dbraw/zinc/70/58/71/491705871.db2.gz ITUXUFBJOBUOEH-UONOGXRCSA-N 2 2 354.813 0.429 10 0 FCAELP C[N@H+]1CC[C@H](NC(=O)C(=O)NC2C[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000579816259 491705872 /nfs/dbraw/zinc/70/58/72/491705872.db2.gz ITUXUFBJOBUOEH-UONOGXRCSA-N 2 2 354.813 0.429 10 0 FCAELP CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)S(C)(=O)=O ZINC000579959007 491711349 /nfs/dbraw/zinc/71/13/49/491711349.db2.gz XRRLIIPYHWEFLT-KRWDZBQOSA-N 2 2 374.551 0.238 10 0 FCAELP CC(C)N(CCCNC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)S(C)(=O)=O ZINC000579959007 491711350 /nfs/dbraw/zinc/71/13/50/491711350.db2.gz XRRLIIPYHWEFLT-KRWDZBQOSA-N 2 2 374.551 0.238 10 0 FCAELP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000580822804 491747296 /nfs/dbraw/zinc/74/72/96/491747296.db2.gz HWPYDOQYZMUWFT-JKSUJKDBSA-N 2 2 374.489 0.418 10 0 FCAELP C[NH+]1CCN(CC(=O)Nc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000673752224 493360545 /nfs/dbraw/zinc/36/05/45/493360545.db2.gz OXPDAZJFKFSBHY-UHFFFAOYSA-N 2 2 373.501 0.189 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)C1=O ZINC000581541600 491776918 /nfs/dbraw/zinc/77/69/18/491776918.db2.gz KTJCTOJUKDYMAW-HNAYVOBHSA-N 2 2 374.489 0.648 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000581541600 491776919 /nfs/dbraw/zinc/77/69/19/491776919.db2.gz KTJCTOJUKDYMAW-HNAYVOBHSA-N 2 2 374.489 0.648 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)C1=O ZINC000581541601 491776988 /nfs/dbraw/zinc/77/69/88/491776988.db2.gz KTJCTOJUKDYMAW-KXBFYZLASA-N 2 2 374.489 0.648 10 0 FCAELP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000581541601 491776990 /nfs/dbraw/zinc/77/69/90/491776990.db2.gz KTJCTOJUKDYMAW-KXBFYZLASA-N 2 2 374.489 0.648 10 0 FCAELP COc1c[nH+]ccc1N1CC[NH+](CC(=O)N(C)Cc2cnn(C)c2)CC1 ZINC000581583268 491778814 /nfs/dbraw/zinc/77/88/14/491778814.db2.gz WMRKBOWKMHOCKA-UHFFFAOYSA-N 2 2 358.446 0.604 10 0 FCAELP O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000582835888 491828480 /nfs/dbraw/zinc/82/84/80/491828480.db2.gz ZHWVXMBQLKVHRD-VVLHAWIVSA-N 2 2 364.490 0.099 10 0 FCAELP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000582835890 491828522 /nfs/dbraw/zinc/82/85/22/491828522.db2.gz ZHWVXMBQLKVHRD-YYIAUSFCSA-N 2 2 364.490 0.099 10 0 FCAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCO[C@]3(CCSC3)C2)CC1 ZINC000583141581 491838804 /nfs/dbraw/zinc/83/88/04/491838804.db2.gz SNEHMZITOLYXRN-QGZVFWFLSA-N 2 2 356.536 0.930 10 0 FCAELP O=C(N[C@H]1CCn2cc[nH+]c2C1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000583718987 491850794 /nfs/dbraw/zinc/85/07/94/491850794.db2.gz OJCNQIHMYHYGOI-JKSUJKDBSA-N 2 2 359.474 0.791 10 0 FCAELP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000612037793 491893819 /nfs/dbraw/zinc/89/38/19/491893819.db2.gz RSFGFVUGNXGNFE-LVQVYYBASA-N 2 2 354.495 0.201 10 0 FCAELP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000612037793 491893821 /nfs/dbraw/zinc/89/38/21/491893821.db2.gz RSFGFVUGNXGNFE-LVQVYYBASA-N 2 2 354.495 0.201 10 0 FCAELP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000612037793 491893822 /nfs/dbraw/zinc/89/38/22/491893822.db2.gz RSFGFVUGNXGNFE-LVQVYYBASA-N 2 2 354.495 0.201 10 0 FCAELP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000612037793 491893824 /nfs/dbraw/zinc/89/38/24/491893824.db2.gz RSFGFVUGNXGNFE-LVQVYYBASA-N 2 2 354.495 0.201 10 0 FCAELP COC(=O)CC[C@H](C(=O)OC)N1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000595382559 491926448 /nfs/dbraw/zinc/92/64/48/491926448.db2.gz WITHTBIJOGGBIQ-QGZVFWFLSA-N 2 2 369.506 0.972 10 0 FCAELP COC(=O)C12CC(C1)C[NH+]2CCOCC[N@H+]1CC2CC1(C(=O)OC)C2 ZINC000595683502 491948376 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CCRLNFMAHZBKJG-IRXDYDNUSA-N 2 2 373.457 0.804 10 0 FCAELP CC(C)(C)OC(=O)CN1CCCC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1=O ZINC000601967515 491955824 /nfs/dbraw/zinc/95/58/24/491955824.db2.gz GPMFVZILDROJCL-HOTGVXAUSA-N 2 2 369.506 0.756 10 0 FCAELP CSCC[C@H]([NH3+])C(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000595951705 491964609 /nfs/dbraw/zinc/96/46/09/491964609.db2.gz ZXBHXGQZJHOIPN-SJORKVTESA-N 2 2 350.532 0.999 10 0 FCAELP CSCC[C@H]([NH3+])C(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000595951705 491964612 /nfs/dbraw/zinc/96/46/12/491964612.db2.gz ZXBHXGQZJHOIPN-SJORKVTESA-N 2 2 350.532 0.999 10 0 FCAELP C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000596256169 491981289 /nfs/dbraw/zinc/98/12/89/491981289.db2.gz QUSSNGMWJVRJME-MRXNPFEDSA-N 2 2 364.494 1.211 10 0 FCAELP CC1(C)C[NH+](CC(=O)N[C@@H]2CCC[C@@H]2NC(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000613981430 492007358 /nfs/dbraw/zinc/00/73/58/492007358.db2.gz GKRQAWBIYCMHFY-GASCZTMLSA-N 2 2 350.507 0.824 10 0 FCAELP CCOC(=O)C1CCC(O)(C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000602989128 492010508 /nfs/dbraw/zinc/01/05/08/492010508.db2.gz DQFVBUPYUCOSED-UHFFFAOYSA-N 2 2 355.479 0.177 10 0 FCAELP CCOC(=O)C1CCC(O)(C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000602989128 492010509 /nfs/dbraw/zinc/01/05/09/492010509.db2.gz DQFVBUPYUCOSED-UHFFFAOYSA-N 2 2 355.479 0.177 10 0 FCAELP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cccc(C[NH+]2CCOCC2)c1 ZINC000614508520 492034691 /nfs/dbraw/zinc/03/46/91/492034691.db2.gz WJROTWBERNOURS-IBGZPJMESA-N 2 2 358.486 0.639 10 0 FCAELP O=C(NC[C@H]1C[N@H+]2CCN1CCC2)c1cccc(C[NH+]2CCOCC2)c1 ZINC000614508520 492034694 /nfs/dbraw/zinc/03/46/94/492034694.db2.gz WJROTWBERNOURS-IBGZPJMESA-N 2 2 358.486 0.639 10 0 FCAELP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000614508043 492035189 /nfs/dbraw/zinc/03/51/89/492035189.db2.gz SKYGSGNKOBAAOE-GOSISDBHSA-N 2 2 372.517 0.100 10 0 FCAELP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000614508043 492035190 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PLMNNDOHOJRBLA-LBPRGKRZSA-N 2 2 360.480 0.190 10 0 FCAELP CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)o1 ZINC000617504312 492172941 /nfs/dbraw/zinc/17/29/41/492172941.db2.gz PLMNNDOHOJRBLA-LBPRGKRZSA-N 2 2 360.480 0.190 10 0 FCAELP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000617734753 492186313 /nfs/dbraw/zinc/18/63/13/492186313.db2.gz HHBCFAPMSSFVRU-CVEARBPZSA-N 2 2 361.490 0.672 10 0 FCAELP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000617734753 492186315 /nfs/dbraw/zinc/18/63/15/492186315.db2.gz HHBCFAPMSSFVRU-CVEARBPZSA-N 2 2 361.490 0.672 10 0 FCAELP C[C@H]1C[N@H+](CCNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)[C@@H](C)CO1 ZINC000617734754 492186470 /nfs/dbraw/zinc/18/64/70/492186470.db2.gz HHBCFAPMSSFVRU-HOTGVXAUSA-N 2 2 361.490 0.672 10 0 FCAELP C[C@H]1C[N@@H+](CCNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)[C@@H](C)CO1 ZINC000617734754 492186472 /nfs/dbraw/zinc/18/64/72/492186472.db2.gz HHBCFAPMSSFVRU-HOTGVXAUSA-N 2 2 361.490 0.672 10 0 FCAELP 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FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)C1 ZINC000649418775 492553597 /nfs/dbraw/zinc/55/35/97/492553597.db2.gz DVMGRNXGPGECAH-QRVBRYPASA-N 3 2 366.550 0.923 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)C1 ZINC000649418775 492553600 /nfs/dbraw/zinc/55/36/00/492553600.db2.gz DVMGRNXGPGECAH-QRVBRYPASA-N 3 2 366.550 0.923 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)C1 ZINC000649418775 492553603 /nfs/dbraw/zinc/55/36/03/492553603.db2.gz DVMGRNXGPGECAH-QRVBRYPASA-N 3 2 366.550 0.923 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)C1 ZINC000649418775 492553608 /nfs/dbraw/zinc/55/36/08/492553608.db2.gz DVMGRNXGPGECAH-QRVBRYPASA-N 3 2 366.550 0.923 10 0 FCAELP C[NH+](C)[C@@H]1C[C@H](CNc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)C1 ZINC000656211299 492564558 /nfs/dbraw/zinc/56/45/58/492564558.db2.gz VMXBGENHPTZNHE-GASCZTMLSA-N 2 2 367.519 0.770 10 0 FCAELP CN1CCOC[C@@H]1CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000623564387 492567573 /nfs/dbraw/zinc/56/75/73/492567573.db2.gz AJRWLWWPJYBXMS-KRWDZBQOSA-N 2 2 353.511 0.175 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@H]3COCC[N@@H+]3C)CC2)CC1 ZINC000623564387 492567577 /nfs/dbraw/zinc/56/75/77/492567577.db2.gz AJRWLWWPJYBXMS-KRWDZBQOSA-N 3 2 353.511 0.175 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@H]3COCC[N@H+]3C)CC2)CC1 ZINC000623564387 492567580 /nfs/dbraw/zinc/56/75/80/492567580.db2.gz AJRWLWWPJYBXMS-KRWDZBQOSA-N 3 2 353.511 0.175 10 0 FCAELP CC(C)[NH+](CCNC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000656281629 492568427 /nfs/dbraw/zinc/56/84/27/492568427.db2.gz CPTKDLCPHAILFA-YESZJQIVSA-N 2 2 370.538 0.835 10 0 FCAELP CC(C)[NH+](CCNC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000656281629 492568432 /nfs/dbraw/zinc/56/84/32/492568432.db2.gz CPTKDLCPHAILFA-YESZJQIVSA-N 2 2 370.538 0.835 10 0 FCAELP CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656284683 492569546 /nfs/dbraw/zinc/56/95/46/492569546.db2.gz WNKHBYVQCUWRKT-HRCADAONSA-N 2 2 368.522 0.589 10 0 FCAELP CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656284683 492569549 /nfs/dbraw/zinc/56/95/49/492569549.db2.gz WNKHBYVQCUWRKT-HRCADAONSA-N 2 2 368.522 0.589 10 0 FCAELP COc1ccccc1COC[C@H](O)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649688914 492572940 /nfs/dbraw/zinc/57/29/40/492572940.db2.gz SJILKDZFQNXWLJ-QGZVFWFLSA-N 2 2 365.474 0.279 10 0 FCAELP COc1ccccc1COC[C@H](O)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649688914 492572943 /nfs/dbraw/zinc/57/29/43/492572943.db2.gz SJILKDZFQNXWLJ-QGZVFWFLSA-N 2 2 365.474 0.279 10 0 FCAELP CCOc1ccc(OC[C@H](O)C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000649689334 492573231 /nfs/dbraw/zinc/57/32/31/492573231.db2.gz FTGZKRVOHYWJBP-MRXNPFEDSA-N 2 2 365.474 0.531 10 0 FCAELP CCOc1ccc(OC[C@H](O)C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000649689334 492573234 /nfs/dbraw/zinc/57/32/34/492573234.db2.gz FTGZKRVOHYWJBP-MRXNPFEDSA-N 2 2 365.474 0.531 10 0 FCAELP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656294986 492574198 /nfs/dbraw/zinc/57/41/98/492574198.db2.gz DHIQATZHHLGXFU-TWMKSMIVSA-N 2 2 368.522 0.591 10 0 FCAELP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656294986 492574202 /nfs/dbraw/zinc/57/42/02/492574202.db2.gz DHIQATZHHLGXFU-TWMKSMIVSA-N 2 2 368.522 0.591 10 0 FCAELP COC[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000649741552 492577307 /nfs/dbraw/zinc/57/73/07/492577307.db2.gz VBUGNNBIEPWRMX-LSDHHAIUSA-N 2 2 353.488 0.474 10 0 FCAELP COC[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000649741552 492577311 /nfs/dbraw/zinc/57/73/11/492577311.db2.gz VBUGNNBIEPWRMX-LSDHHAIUSA-N 2 2 353.488 0.474 10 0 FCAELP CC[N@@H+]1CC[C@H](Nc2nc(N)[nH+]c(N)n2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000624094727 492620750 /nfs/dbraw/zinc/62/07/50/492620750.db2.gz LVBANDGXOJGUJV-CMPLNLGQSA-N 2 2 353.352 0.783 10 0 FCAELP CC[N@H+]1CC[C@H](Nc2nc(N)[nH+]c(N)n2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000624094727 492620754 /nfs/dbraw/zinc/62/07/54/492620754.db2.gz LVBANDGXOJGUJV-CMPLNLGQSA-N 2 2 353.352 0.783 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000629437214 492630138 /nfs/dbraw/zinc/63/01/38/492630138.db2.gz IQFLBELZBKFWCD-AEFFLSMTSA-N 2 2 362.474 0.367 10 0 FCAELP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000629437214 492630144 /nfs/dbraw/zinc/63/01/44/492630144.db2.gz IQFLBELZBKFWCD-AEFFLSMTSA-N 2 2 362.474 0.367 10 0 FCAELP O=C(N1CC[NH2+]CC1)N1CC[NH+](Cc2ccccc2-n2cncn2)CC1 ZINC000629650043 492661901 /nfs/dbraw/zinc/66/19/01/492661901.db2.gz BHNJMCHYVINEKL-UHFFFAOYSA-N 2 2 355.446 0.410 10 0 FCAELP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C[C@H](C)O1 ZINC000629796450 492675977 /nfs/dbraw/zinc/67/59/77/492675977.db2.gz HVHJKNQNLYWNCR-FDCRZUCXSA-N 2 2 366.506 0.012 10 0 FCAELP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C[C@H](C)O1 ZINC000629796450 492675981 /nfs/dbraw/zinc/67/59/81/492675981.db2.gz HVHJKNQNLYWNCR-FDCRZUCXSA-N 2 2 366.506 0.012 10 0 FCAELP Cc1ccc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1C(N)=O ZINC000657093233 492716128 /nfs/dbraw/zinc/71/61/28/492716128.db2.gz RFMFFHBSUUNVFT-UHFFFAOYSA-N 2 2 356.492 0.256 10 0 FCAELP Cc1ccc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1C(N)=O ZINC000657093233 492716131 /nfs/dbraw/zinc/71/61/31/492716131.db2.gz RFMFFHBSUUNVFT-UHFFFAOYSA-N 2 2 356.492 0.256 10 0 FCAELP C[C@@H]1CC[C@@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CS1(=O)=O ZINC000657639750 492768839 /nfs/dbraw/zinc/76/88/39/492768839.db2.gz VGGYVPKQVPQHDL-UKRRQHHQSA-N 2 2 353.492 0.284 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000625387520 492771392 /nfs/dbraw/zinc/77/13/92/492771392.db2.gz RXFKSOHBTKPZHF-QGZVFWFLSA-N 2 2 366.506 0.300 10 0 FCAELP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000625387520 492771395 /nfs/dbraw/zinc/77/13/95/492771395.db2.gz RXFKSOHBTKPZHF-QGZVFWFLSA-N 2 2 366.506 0.300 10 0 FCAELP CN(CC[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000625461107 492788849 /nfs/dbraw/zinc/78/88/49/492788849.db2.gz AAEUOCCDXWBEHO-KRWDZBQOSA-N 2 2 366.506 0.300 10 0 FCAELP CN(CC[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000625461107 492788852 /nfs/dbraw/zinc/78/88/52/492788852.db2.gz AAEUOCCDXWBEHO-KRWDZBQOSA-N 2 2 366.506 0.300 10 0 FCAELP C[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000644710882 492799786 /nfs/dbraw/zinc/79/97/86/492799786.db2.gz MHTHXQPZIYGXEC-IRXDYDNUSA-N 2 2 355.504 0.445 10 0 FCAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000644710882 492799791 /nfs/dbraw/zinc/79/97/91/492799791.db2.gz MHTHXQPZIYGXEC-IRXDYDNUSA-N 2 2 355.504 0.445 10 0 FCAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000644710882 492799792 /nfs/dbraw/zinc/79/97/92/492799792.db2.gz MHTHXQPZIYGXEC-IRXDYDNUSA-N 2 2 355.504 0.445 10 0 FCAELP Cc1cnc(C)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000651710815 492810683 /nfs/dbraw/zinc/81/06/83/492810683.db2.gz PBWVBAUNGLMDFN-OAHLLOKOSA-N 2 2 359.474 0.922 10 0 FCAELP Cc1cnc(C)c(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000651710815 492810687 /nfs/dbraw/zinc/81/06/87/492810687.db2.gz PBWVBAUNGLMDFN-OAHLLOKOSA-N 2 2 359.474 0.922 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000625570835 492823459 /nfs/dbraw/zinc/82/34/59/492823459.db2.gz PXGVOXHMWAVQEF-DOTOQJQBSA-N 2 2 366.506 0.299 10 0 FCAELP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000625570835 492823464 /nfs/dbraw/zinc/82/34/64/492823464.db2.gz PXGVOXHMWAVQEF-DOTOQJQBSA-N 2 2 366.506 0.299 10 0 FCAELP C[N@H+](CCCNS(=O)(=O)C[C@@H]1C[NH+](C)CCO1)Cc1ccccc1 ZINC000631678292 492834139 /nfs/dbraw/zinc/83/41/39/492834139.db2.gz NQQKQJLRAPISRJ-KRWDZBQOSA-N 2 2 355.504 0.759 10 0 FCAELP C[N@@H+](CCCNS(=O)(=O)C[C@@H]1C[NH+](C)CCO1)Cc1ccccc1 ZINC000631678292 492834144 /nfs/dbraw/zinc/83/41/44/492834144.db2.gz NQQKQJLRAPISRJ-KRWDZBQOSA-N 2 2 355.504 0.759 10 0 FCAELP C[NH+](CCCNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)Cc1ccccc1 ZINC000631678292 492834149 /nfs/dbraw/zinc/83/41/49/492834149.db2.gz NQQKQJLRAPISRJ-KRWDZBQOSA-N 2 2 355.504 0.759 10 0 FCAELP C[NH+](CCCNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)Cc1ccccc1 ZINC000631678292 492834154 /nfs/dbraw/zinc/83/41/54/492834154.db2.gz NQQKQJLRAPISRJ-KRWDZBQOSA-N 2 2 355.504 0.759 10 0 FCAELP C[NH+](C)[C@@H](CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)c1ccc(F)cc1 ZINC000631776684 492850802 /nfs/dbraw/zinc/85/08/02/492850802.db2.gz VKNFQUZIDUNENY-CVEARBPZSA-N 2 2 359.467 0.678 10 0 FCAELP C[NH+](C)[C@@H](CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)c1ccc(F)cc1 ZINC000631776684 492850806 /nfs/dbraw/zinc/85/08/06/492850806.db2.gz VKNFQUZIDUNENY-CVEARBPZSA-N 2 2 359.467 0.678 10 0 FCAELP CC[NH+](CC)[C@@H](CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)c1ccco1 ZINC000631813820 492857856 /nfs/dbraw/zinc/85/78/56/492857856.db2.gz ZSBKPVNNIAJDHS-CABCVRRESA-N 2 2 359.492 0.913 10 0 FCAELP CC[NH+](CC)[C@@H](CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)c1ccco1 ZINC000631813820 492857858 /nfs/dbraw/zinc/85/78/58/492857858.db2.gz ZSBKPVNNIAJDHS-CABCVRRESA-N 2 2 359.492 0.913 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccnn1C(C)(C)C ZINC000658336205 492861506 /nfs/dbraw/zinc/86/15/06/492861506.db2.gz PCNPGTDNFOFIGK-AWEZNQCLSA-N 2 2 366.510 0.965 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccnn1C(C)(C)C ZINC000658336205 492861511 /nfs/dbraw/zinc/86/15/11/492861511.db2.gz PCNPGTDNFOFIGK-AWEZNQCLSA-N 2 2 366.510 0.965 10 0 FCAELP CCn1ncc(C)c1NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000658340184 492861528 /nfs/dbraw/zinc/86/15/28/492861528.db2.gz YYNFLKSHTDFTFZ-AWEZNQCLSA-N 2 2 352.483 0.538 10 0 FCAELP CCn1ncc(C)c1NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000658340184 492861533 /nfs/dbraw/zinc/86/15/33/492861533.db2.gz YYNFLKSHTDFTFZ-AWEZNQCLSA-N 2 2 352.483 0.538 10 0 FCAELP CC(C)c1nn(C)cc1NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000658338768 492861994 /nfs/dbraw/zinc/86/19/94/492861994.db2.gz KVVDHMDDCANJAH-AWEZNQCLSA-N 2 2 366.510 0.870 10 0 FCAELP CC(C)c1nn(C)cc1NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000658338768 492861998 /nfs/dbraw/zinc/86/19/98/492861998.db2.gz KVVDHMDDCANJAH-AWEZNQCLSA-N 2 2 366.510 0.870 10 0 FCAELP Cc1nn(C)c(C)c1NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000658337515 492862021 /nfs/dbraw/zinc/86/20/21/492862021.db2.gz UWRCAFZKXOCXLM-LBPRGKRZSA-N 2 2 352.483 0.364 10 0 FCAELP Cc1nn(C)c(C)c1NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000658337515 492862022 /nfs/dbraw/zinc/86/20/22/492862022.db2.gz UWRCAFZKXOCXLM-LBPRGKRZSA-N 2 2 352.483 0.364 10 0 FCAELP Cc1ccc([C@H](CNS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)[NH+]2CCCC2)o1 ZINC000631875898 492867451 /nfs/dbraw/zinc/86/74/51/492867451.db2.gz BGUCHDJHDBPRPV-HOTGVXAUSA-N 2 2 371.503 0.975 10 0 FCAELP Cc1ccc([C@H](CNS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)[NH+]2CCCC2)o1 ZINC000631875898 492867455 /nfs/dbraw/zinc/86/74/55/492867455.db2.gz BGUCHDJHDBPRPV-HOTGVXAUSA-N 2 2 371.503 0.975 10 0 FCAELP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NCCOc1ccc2c(c1)OCO2 ZINC000631888543 492870780 /nfs/dbraw/zinc/87/07/80/492870780.db2.gz XDOCJWFDEPJOHK-ZBFHGGJFSA-N 2 2 361.442 0.984 10 0 FCAELP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NCCOc1ccc2c(c1)OCO2 ZINC000631888543 492870782 /nfs/dbraw/zinc/87/07/82/492870782.db2.gz XDOCJWFDEPJOHK-ZBFHGGJFSA-N 2 2 361.442 0.984 10 0 FCAELP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)NCCOc1ccc2c(c1)OCO2 ZINC000631888540 492870790 /nfs/dbraw/zinc/87/07/90/492870790.db2.gz XDOCJWFDEPJOHK-GDBMZVCRSA-N 2 2 361.442 0.984 10 0 FCAELP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)NCCOc1ccc2c(c1)OCO2 ZINC000631888540 492870792 /nfs/dbraw/zinc/87/07/92/492870792.db2.gz XDOCJWFDEPJOHK-GDBMZVCRSA-N 2 2 361.442 0.984 10 0 FCAELP Cc1ccccc1C[NH+]1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000631909809 492875523 /nfs/dbraw/zinc/87/55/23/492875523.db2.gz PJJMFTMEKYHROH-QGZVFWFLSA-N 2 2 353.488 0.431 10 0 FCAELP Cc1cccc(C[NH+]2CCN(S(=O)(=O)C[C@H]3C[NH2+]CCO3)CC2)c1 ZINC000631910114 492876955 /nfs/dbraw/zinc/87/69/55/492876955.db2.gz XLIXLDAHYDRDLS-QGZVFWFLSA-N 2 2 353.488 0.431 10 0 FCAELP O=S(=O)(C[C@H]1C[NH2+]CCO1)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000631914526 492880078 /nfs/dbraw/zinc/88/00/78/492880078.db2.gz YARYWBFZORPSST-MRXNPFEDSA-N 2 2 368.503 0.870 10 0 FCAELP COc1ccc(C)cc1NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000658425641 492884431 /nfs/dbraw/zinc/88/44/31/492884431.db2.gz CEXSHKQTMQFSQF-UHFFFAOYSA-N 2 2 350.463 0.942 10 0 FCAELP COc1ccc(C)cc1NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000658425641 492884433 /nfs/dbraw/zinc/88/44/33/492884433.db2.gz CEXSHKQTMQFSQF-UHFFFAOYSA-N 2 2 350.463 0.942 10 0 FCAELP COc1ncc(C)cc1NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000658426132 492884876 /nfs/dbraw/zinc/88/48/76/492884876.db2.gz FWNPMEVAHVRBLB-UHFFFAOYSA-N 2 2 351.451 0.337 10 0 FCAELP COc1ncc(C)cc1NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000658426132 492884878 /nfs/dbraw/zinc/88/48/78/492884878.db2.gz FWNPMEVAHVRBLB-UHFFFAOYSA-N 2 2 351.451 0.337 10 0 FCAELP CCO[C@@H]1CN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C[C@H]1C[NH3+] ZINC000652137313 492884975 /nfs/dbraw/zinc/88/49/75/492884975.db2.gz GWIJMFOTSVHIDM-BFYDXBDKSA-N 2 2 372.535 0.200 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)N1CCc2c1cccc2F ZINC000658428495 492886671 /nfs/dbraw/zinc/88/66/71/492886671.db2.gz KVUXCPBAPROOSD-UHFFFAOYSA-N 2 2 350.438 0.715 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)N1CCc2c1cccc2F ZINC000658428495 492886673 /nfs/dbraw/zinc/88/66/73/492886673.db2.gz KVUXCPBAPROOSD-UHFFFAOYSA-N 2 2 350.438 0.715 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC(C)(C)[C@@]3(O)CCOC3)C2)CC1 ZINC000645295606 492889458 /nfs/dbraw/zinc/88/94/58/492889458.db2.gz XRZXADYBIMCVJG-DNVCBOLYSA-N 2 2 368.522 0.632 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC(C)(C)[C@@]3(O)CCOC3)C2)CC1 ZINC000645295606 492889463 /nfs/dbraw/zinc/88/94/63/492889463.db2.gz XRZXADYBIMCVJG-DNVCBOLYSA-N 2 2 368.522 0.632 10 0 FCAELP C[N@@H+]1CC[C@H](NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)[C@H]1c1ccc(Cl)cc1 ZINC000631928851 492890476 /nfs/dbraw/zinc/89/04/76/492890476.db2.gz PGPARUWSVHNCFP-HRCADAONSA-N 2 2 373.906 0.993 10 0 FCAELP C[N@H+]1CC[C@H](NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)[C@H]1c1ccc(Cl)cc1 ZINC000631928851 492890480 /nfs/dbraw/zinc/89/04/80/492890480.db2.gz PGPARUWSVHNCFP-HRCADAONSA-N 2 2 373.906 0.993 10 0 FCAELP C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[C@@H]1CCC(=O)N1 ZINC000625856550 492894567 /nfs/dbraw/zinc/89/45/67/492894567.db2.gz APLDNMDHLPYKIF-CVEARBPZSA-N 2 2 350.507 0.968 10 0 FCAELP C[NH+](C)C1(CNS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)Cc2ccccc2C1 ZINC000632027825 492913574 /nfs/dbraw/zinc/91/35/74/492913574.db2.gz OZFKDBXOAMPWDH-QGZVFWFLSA-N 2 2 367.515 0.336 10 0 FCAELP C[NH+](C)C1(CNS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)Cc2ccccc2C1 ZINC000632027825 492913577 /nfs/dbraw/zinc/91/35/77/492913577.db2.gz OZFKDBXOAMPWDH-QGZVFWFLSA-N 2 2 367.515 0.336 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H](C)[C@H]2CC[NH3+])C1 ZINC000652354836 492914533 /nfs/dbraw/zinc/91/45/33/492914533.db2.gz JMYDVOHGWWUAJB-RCCFBDPRSA-N 3 2 354.539 0.909 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H](C)[C@H]2CC[NH3+])C1 ZINC000652354836 492914535 /nfs/dbraw/zinc/91/45/35/492914535.db2.gz JMYDVOHGWWUAJB-RCCFBDPRSA-N 3 2 354.539 0.909 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])C1 ZINC000652354836 492914539 /nfs/dbraw/zinc/91/45/39/492914539.db2.gz JMYDVOHGWWUAJB-RCCFBDPRSA-N 3 2 354.539 0.909 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])C1 ZINC000652354836 492914543 /nfs/dbraw/zinc/91/45/43/492914543.db2.gz JMYDVOHGWWUAJB-RCCFBDPRSA-N 3 2 354.539 0.909 10 0 FCAELP CCO[C@@H]1C[N@H+](CC(=O)N2CCN(c3cccc(C)c3)CC2)C[C@H]1C[NH3+] ZINC000652356972 492914998 /nfs/dbraw/zinc/91/49/98/492914998.db2.gz UMIAWKWHUBRMRI-IEBWSBKVSA-N 2 2 360.502 0.939 10 0 FCAELP CCO[C@@H]1C[N@@H+](CC(=O)N2CCN(c3cccc(C)c3)CC2)C[C@H]1C[NH3+] ZINC000652356972 492915000 /nfs/dbraw/zinc/91/50/00/492915000.db2.gz UMIAWKWHUBRMRI-IEBWSBKVSA-N 2 2 360.502 0.939 10 0 FCAELP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N(C)CC2C[NH+](C)C2)C[C@H](C)O1 ZINC000658516472 492923634 /nfs/dbraw/zinc/92/36/34/492923634.db2.gz XRWUXUKHNYGLAB-UXLLHSPISA-N 2 2 366.506 0.107 10 0 FCAELP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N(C)CC2C[NH+](C)C2)C[C@H](C)O1 ZINC000658516472 492923636 /nfs/dbraw/zinc/92/36/36/492923636.db2.gz XRWUXUKHNYGLAB-UXLLHSPISA-N 2 2 366.506 0.107 10 0 FCAELP CN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)C[C@H]1C[NH+](C)CCO1 ZINC000632104584 492930246 /nfs/dbraw/zinc/93/02/46/492930246.db2.gz JUFGBTRKJYOBNO-QZTJIDSGSA-N 2 2 367.515 0.853 10 0 FCAELP CN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)C[C@H]1C[NH+](C)CCO1 ZINC000632104584 492930249 /nfs/dbraw/zinc/93/02/49/492930249.db2.gz JUFGBTRKJYOBNO-QZTJIDSGSA-N 2 2 367.515 0.853 10 0 FCAELP CN([C@@H]1CC[NH+](Cc2ccccc2)C1)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632104584 492930252 /nfs/dbraw/zinc/93/02/52/492930252.db2.gz JUFGBTRKJYOBNO-QZTJIDSGSA-N 2 2 367.515 0.853 10 0 FCAELP CN([C@@H]1CC[NH+](Cc2ccccc2)C1)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632104584 492930256 /nfs/dbraw/zinc/93/02/56/492930256.db2.gz JUFGBTRKJYOBNO-QZTJIDSGSA-N 2 2 367.515 0.853 10 0 FCAELP CCC[C@@H]1CN(S(=O)(=O)C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CCOC ZINC000632163767 492941694 /nfs/dbraw/zinc/94/16/94/492941694.db2.gz BUHCOTIUYJZVMR-CVEARBPZSA-N 2 2 363.524 0.080 10 0 FCAELP CCC[C@@H]1CN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CCOC ZINC000632163767 492941697 /nfs/dbraw/zinc/94/16/97/492941697.db2.gz BUHCOTIUYJZVMR-CVEARBPZSA-N 2 2 363.524 0.080 10 0 FCAELP CCC[C@@H]1CN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CCOC ZINC000632163767 492941702 /nfs/dbraw/zinc/94/17/02/492941702.db2.gz BUHCOTIUYJZVMR-CVEARBPZSA-N 2 2 363.524 0.080 10 0 FCAELP CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000626169685 492941999 /nfs/dbraw/zinc/94/19/99/492941999.db2.gz QELVCYVKDBHBRC-ROUUACIJSA-N 2 2 369.531 0.741 10 0 FCAELP CNS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000626169685 492942001 /nfs/dbraw/zinc/94/20/01/492942001.db2.gz QELVCYVKDBHBRC-ROUUACIJSA-N 2 2 369.531 0.741 10 0 FCAELP CNS(=O)(=O)C[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000626169685 492942003 /nfs/dbraw/zinc/94/20/03/492942003.db2.gz QELVCYVKDBHBRC-ROUUACIJSA-N 2 2 369.531 0.741 10 0 FCAELP CNS(=O)(=O)C[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000626169685 492942006 /nfs/dbraw/zinc/94/20/06/492942006.db2.gz QELVCYVKDBHBRC-ROUUACIJSA-N 2 2 369.531 0.741 10 0 FCAELP C[C@H](NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000632197043 492948614 /nfs/dbraw/zinc/94/86/14/492948614.db2.gz KOGYRUWZOUHXBV-ZMSDIMECSA-N 2 2 359.536 0.889 10 0 FCAELP C[C@H](NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000632197043 492948618 /nfs/dbraw/zinc/94/86/18/492948618.db2.gz KOGYRUWZOUHXBV-ZMSDIMECSA-N 2 2 359.536 0.889 10 0 FCAELP C[C@H](NS(=O)(=O)C[C@H]1C[NH+](C)CCO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000632197043 492948623 /nfs/dbraw/zinc/94/86/23/492948623.db2.gz KOGYRUWZOUHXBV-ZMSDIMECSA-N 2 2 359.536 0.889 10 0 FCAELP C[C@H](NS(=O)(=O)C[C@H]1C[NH+](C)CCO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000632197043 492948628 /nfs/dbraw/zinc/94/86/28/492948628.db2.gz KOGYRUWZOUHXBV-ZMSDIMECSA-N 2 2 359.536 0.889 10 0 FCAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000645627980 492950561 /nfs/dbraw/zinc/95/05/61/492950561.db2.gz ZZTAYHKAWJWZSK-ZBFHGGJFSA-N 2 2 373.457 0.328 10 0 FCAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000645627980 492950564 /nfs/dbraw/zinc/95/05/64/492950564.db2.gz ZZTAYHKAWJWZSK-ZBFHGGJFSA-N 2 2 373.457 0.328 10 0 FCAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000645627975 492950935 /nfs/dbraw/zinc/95/09/35/492950935.db2.gz ZZTAYHKAWJWZSK-GDBMZVCRSA-N 2 2 373.457 0.328 10 0 FCAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000645627975 492950938 /nfs/dbraw/zinc/95/09/38/492950938.db2.gz ZZTAYHKAWJWZSK-GDBMZVCRSA-N 2 2 373.457 0.328 10 0 FCAELP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658567557 492958098 /nfs/dbraw/zinc/95/80/98/492958098.db2.gz GUOYWGYFIXEZAL-UHFFFAOYSA-N 2 2 369.469 0.910 10 0 FCAELP C[NH2+]Cc1ccccc1CNC(=O)N=c1ccn(CC[NH+]2CCOCC2)[nH]1 ZINC000652579104 492969401 /nfs/dbraw/zinc/96/94/01/492969401.db2.gz LJSOQDILNPXGMX-UHFFFAOYSA-N 2 2 372.473 0.678 10 0 FCAELP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000658605873 492977211 /nfs/dbraw/zinc/97/72/11/492977211.db2.gz BZFSAEJJHKQMAT-MRXNPFEDSA-N 2 2 368.522 0.545 10 0 FCAELP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000658605873 492977216 /nfs/dbraw/zinc/97/72/16/492977216.db2.gz BZFSAEJJHKQMAT-MRXNPFEDSA-N 2 2 368.522 0.545 10 0 FCAELP C[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638849744 492981246 /nfs/dbraw/zinc/98/12/46/492981246.db2.gz FSZREAZLLHVKAP-JFIYKMOQSA-N 2 2 358.486 0.691 10 0 FCAELP C[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638849744 492981251 /nfs/dbraw/zinc/98/12/51/492981251.db2.gz FSZREAZLLHVKAP-JFIYKMOQSA-N 2 2 358.486 0.691 10 0 FCAELP Cc1c[nH+]cn1CC(=O)N[C@H](CN(C)C(=O)Cn1c[nH+]cc1C)C(C)C ZINC000626644976 493004393 /nfs/dbraw/zinc/00/43/93/493004393.db2.gz BQSOHERNDIFDAI-MRXNPFEDSA-N 2 2 360.462 0.996 10 0 FCAELP CC[C@@H](C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000652733955 493011020 /nfs/dbraw/zinc/01/10/20/493011020.db2.gz VHEIPNRBANVXME-CVEARBPZSA-N 2 2 354.495 0.108 10 0 FCAELP CC[C@@H](C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000652733955 493011025 /nfs/dbraw/zinc/01/10/25/493011025.db2.gz VHEIPNRBANVXME-CVEARBPZSA-N 2 2 354.495 0.108 10 0 FCAELP CC[C@@H](C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000652733956 493011493 /nfs/dbraw/zinc/01/14/93/493011493.db2.gz VHEIPNRBANVXME-HOTGVXAUSA-N 2 2 354.495 0.108 10 0 FCAELP CC[C@@H](C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[N@H+]1CCO[C@@H](CC)C1 ZINC000652733956 493011496 /nfs/dbraw/zinc/01/14/96/493011496.db2.gz VHEIPNRBANVXME-HOTGVXAUSA-N 2 2 354.495 0.108 10 0 FCAELP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000626841867 493031715 /nfs/dbraw/zinc/03/17/15/493031715.db2.gz GHUUZWSOZAGEQX-INIZCTEOSA-N 2 2 374.441 0.040 10 0 FCAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000626889157 493051512 /nfs/dbraw/zinc/05/15/12/493051512.db2.gz ASCLXYUQWKJWON-JSGCOSHPSA-N 2 2 361.446 0.422 10 0 FCAELP COCCOCC[NH+]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000652997960 493054354 /nfs/dbraw/zinc/05/43/54/493054354.db2.gz UBCQZAJKKAKZOE-UHFFFAOYSA-N 2 2 366.462 0.691 10 0 FCAELP [NH3+]CC1(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)CCOCC1 ZINC000626919373 493062482 /nfs/dbraw/zinc/06/24/82/493062482.db2.gz GNACPUSCTDCVIC-AWEZNQCLSA-N 2 2 368.503 0.929 10 0 FCAELP C[NH2+]CCOCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000626920539 493063324 /nfs/dbraw/zinc/06/33/24/493063324.db2.gz DIPYDAUZJRVDLI-QGZVFWFLSA-N 2 2 350.463 0.423 10 0 FCAELP C[NH2+]CCOCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000626920539 493063330 /nfs/dbraw/zinc/06/33/30/493063330.db2.gz DIPYDAUZJRVDLI-QGZVFWFLSA-N 2 2 350.463 0.423 10 0 FCAELP C[C@H]1CN(c2ccc(CNC(=O)NCCOCCC[NH3+])c[nH+]2)C[C@H](C)O1 ZINC000626931668 493066573 /nfs/dbraw/zinc/06/65/73/493066573.db2.gz KJCDWFUCIXFRAJ-GJZGRUSLSA-N 2 2 365.478 0.860 10 0 FCAELP C[C@H]1CN(c2ccc(CNC(=O)NC3(C[NH3+])CCOCC3)c[nH+]2)CCO1 ZINC000626932200 493066604 /nfs/dbraw/zinc/06/66/04/493066604.db2.gz SDQQTQBUSIEGHV-AWEZNQCLSA-N 2 2 363.462 0.614 10 0 FCAELP C[NH2+]CCOCCNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000627177449 493101891 /nfs/dbraw/zinc/10/18/91/493101891.db2.gz JLRITJYXKUJBPK-UHFFFAOYSA-N 2 2 350.463 0.629 10 0 FCAELP COCC[C@@H](COC)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000633011307 493103608 /nfs/dbraw/zinc/10/36/08/493103608.db2.gz CRMYMWAHQLDMQK-INIZCTEOSA-N 2 2 356.511 0.896 10 0 FCAELP C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)C1 ZINC000627223470 493109683 /nfs/dbraw/zinc/10/96/83/493109683.db2.gz CRZKYQMEDCGJQL-ZWKOTPCHSA-N 2 2 361.490 0.923 10 0 FCAELP C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)C1 ZINC000627223470 493109687 /nfs/dbraw/zinc/10/96/87/493109687.db2.gz CRZKYQMEDCGJQL-ZWKOTPCHSA-N 2 2 361.490 0.923 10 0 FCAELP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1)C2 ZINC000627293354 493137599 /nfs/dbraw/zinc/13/75/99/493137599.db2.gz RDQFZOYWCAGKPE-BGYRXZFFSA-N 2 2 367.453 0.947 10 0 FCAELP O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627303331 493142464 /nfs/dbraw/zinc/14/24/64/493142464.db2.gz NXYKWBWGBYCKFI-OAHLLOKOSA-N 2 2 362.499 0.623 10 0 FCAELP O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627303331 493142469 /nfs/dbraw/zinc/14/24/69/493142469.db2.gz NXYKWBWGBYCKFI-OAHLLOKOSA-N 2 2 362.499 0.623 10 0 FCAELP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)C(=O)N1CCn2c[nH+]cc2C1 ZINC000659082837 493145032 /nfs/dbraw/zinc/14/50/32/493145032.db2.gz JCLBVSCONYFXDB-INIZCTEOSA-N 2 2 355.398 0.525 10 0 FCAELP C[C@H]1CC[C@H](NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C[NH2+]1 ZINC000627312352 493146826 /nfs/dbraw/zinc/14/68/26/493146826.db2.gz WTWPKAQPHQNLGJ-JSGCOSHPSA-N 2 2 359.405 0.884 10 0 FCAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000627317243 493149334 /nfs/dbraw/zinc/14/93/34/493149334.db2.gz JEHCJLMDVJSHDD-GLQYFDAESA-N 2 2 359.405 0.631 10 0 FCAELP C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)C[NH2+]1 ZINC000627317730 493150058 /nfs/dbraw/zinc/15/00/58/493150058.db2.gz WIUXVIAJAALWSB-KBMXLJTQSA-N 2 2 355.442 0.882 10 0 FCAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000627323953 493153209 /nfs/dbraw/zinc/15/32/09/493153209.db2.gz LNRMWHGAMFNFNG-JKSUJKDBSA-N 2 2 359.474 0.945 10 0 FCAELP C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2[nH+]ccn2CCc2ccccc2)C[NH2+]1 ZINC000627327649 493155591 /nfs/dbraw/zinc/15/55/91/493155591.db2.gz FLPOHOXHPCIIIJ-DOTOQJQBSA-N 2 2 369.469 0.999 10 0 FCAELP CCN(CC[NH3+])C(=O)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000627344513 493164609 /nfs/dbraw/zinc/16/46/09/493164609.db2.gz INZDZRWTQYAZNZ-OKILXGFUSA-N 2 2 363.462 0.119 10 0 FCAELP COCC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C[C@@H](O)C(F)(F)F ZINC000653788237 493179871 /nfs/dbraw/zinc/17/98/71/493179871.db2.gz BDYFUDIXDILTGN-CQSZACIVSA-N 2 2 367.412 0.601 10 0 FCAELP COCC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C[C@@H](O)C(F)(F)F ZINC000653788237 493179878 /nfs/dbraw/zinc/17/98/78/493179878.db2.gz BDYFUDIXDILTGN-CQSZACIVSA-N 2 2 367.412 0.601 10 0 FCAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CCN(c4nncn4C)CC3)c2cc1C ZINC000653819425 493183453 /nfs/dbraw/zinc/18/34/53/493183453.db2.gz VBUSAYWXRQIPOT-INIZCTEOSA-N 2 2 369.473 0.965 10 0 FCAELP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)NC1CCN(c3cccc[nH+]3)CC1)C2 ZINC000627378382 493187645 /nfs/dbraw/zinc/18/76/45/493187645.db2.gz KUOBVVKQBGVLKB-BGYRXZFFSA-N 2 2 371.485 0.625 10 0 FCAELP C[C@@H]1CN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)C[C@H](C)[N@H+]1CCO ZINC000653886725 493192704 /nfs/dbraw/zinc/19/27/04/493192704.db2.gz YGKDBNOCAPJJQN-IYBDPMFKSA-N 2 2 361.490 0.361 10 0 FCAELP C[C@@H]1CN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)C[C@H](C)[N@@H+]1CCO ZINC000653886725 493192705 /nfs/dbraw/zinc/19/27/05/493192705.db2.gz YGKDBNOCAPJJQN-IYBDPMFKSA-N 2 2 361.490 0.361 10 0 FCAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000627388789 493197317 /nfs/dbraw/zinc/19/73/17/493197317.db2.gz HHXJTSBWZAEQIZ-BLLLJJGKSA-N 2 2 364.877 0.681 10 0 FCAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000627388789 493197318 /nfs/dbraw/zinc/19/73/18/493197318.db2.gz HHXJTSBWZAEQIZ-BLLLJJGKSA-N 2 2 364.877 0.681 10 0 FCAELP Cc1cc(NCCNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)nc(C(C)C)[nH+]1 ZINC000627403238 493204021 /nfs/dbraw/zinc/20/40/21/493204021.db2.gz BVSMRBLVEWLZFD-AWEZNQCLSA-N 2 2 362.478 0.695 10 0 FCAELP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NCC(F)(F)C[NH3+])C1 ZINC000659532250 493207146 /nfs/dbraw/zinc/20/71/46/493207146.db2.gz KBLSAOJBFLKNFK-HNNXBMFYSA-N 2 2 355.433 0.696 10 0 FCAELP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NCC(F)(F)C[NH3+])C1 ZINC000659532250 493207151 /nfs/dbraw/zinc/20/71/51/493207151.db2.gz KBLSAOJBFLKNFK-HNNXBMFYSA-N 2 2 355.433 0.696 10 0 FCAELP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)NCC(F)(F)C[NH3+])C1 ZINC000659532250 493207155 /nfs/dbraw/zinc/20/71/55/493207155.db2.gz KBLSAOJBFLKNFK-HNNXBMFYSA-N 2 2 355.433 0.696 10 0 FCAELP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)NCC(F)(F)C[NH3+])C1 ZINC000659532250 493207161 /nfs/dbraw/zinc/20/71/61/493207161.db2.gz KBLSAOJBFLKNFK-HNNXBMFYSA-N 2 2 355.433 0.696 10 0 FCAELP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000672594164 493211945 /nfs/dbraw/zinc/21/19/45/493211945.db2.gz LTAJIZLHQAXUIY-IKGGRYGDSA-N 2 2 366.506 0.299 10 0 FCAELP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC[N@H+]1C ZINC000672594164 493211949 /nfs/dbraw/zinc/21/19/49/493211949.db2.gz LTAJIZLHQAXUIY-IKGGRYGDSA-N 2 2 366.506 0.299 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCCc3ccccn3)C2)CC1 ZINC000672637950 493220086 /nfs/dbraw/zinc/22/00/86/493220086.db2.gz AXZZMJFGJSVRDQ-KRWDZBQOSA-N 2 2 373.501 0.415 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCCc3ccccn3)C2)CC1 ZINC000672637950 493220088 /nfs/dbraw/zinc/22/00/88/493220088.db2.gz AXZZMJFGJSVRDQ-KRWDZBQOSA-N 2 2 373.501 0.415 10 0 FCAELP C[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672639591 493222487 /nfs/dbraw/zinc/22/24/87/493222487.db2.gz MBOAICFPSNKZJI-BZUAXINKSA-N 2 2 350.507 0.918 10 0 FCAELP C[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672639591 493222492 /nfs/dbraw/zinc/22/24/92/493222492.db2.gz MBOAICFPSNKZJI-BZUAXINKSA-N 2 2 350.507 0.918 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@H](C)[C@H](C)O1 ZINC000672642582 493227033 /nfs/dbraw/zinc/22/70/33/493227033.db2.gz NYXQKKYFVSYNCZ-LVQVYYBASA-N 2 2 366.506 0.295 10 0 FCAELP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@H](C)[C@H](C)O1 ZINC000672642582 493227036 /nfs/dbraw/zinc/22/70/36/493227036.db2.gz NYXQKKYFVSYNCZ-LVQVYYBASA-N 2 2 366.506 0.295 10 0 FCAELP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000659676513 493246708 /nfs/dbraw/zinc/24/67/08/493246708.db2.gz GUDQHYYTRXBTDR-LKTVYLICSA-N 2 2 354.401 0.550 10 0 FCAELP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000659676513 493246711 /nfs/dbraw/zinc/24/67/11/493246711.db2.gz GUDQHYYTRXBTDR-LKTVYLICSA-N 2 2 354.401 0.550 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC(F)(F)C[C@@H]3CO)CC2)CC1 ZINC000681960969 493257278 /nfs/dbraw/zinc/25/72/78/493257278.db2.gz ZUSAXATXZBNUHV-OAHLLOKOSA-N 2 2 360.449 0.957 10 0 FCAELP COC[C@@H](C[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)OC ZINC000659953056 493306888 /nfs/dbraw/zinc/30/68/88/493306888.db2.gz ZGQDOBRLNCNDLF-OAHLLOKOSA-N 2 2 351.451 0.097 10 0 FCAELP CCN1OC[C@H]([NH+]2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)C1=O ZINC000682677965 493316401 /nfs/dbraw/zinc/31/64/01/493316401.db2.gz YPGCJKJTKBMJCN-INIZCTEOSA-N 2 2 352.479 0.415 10 0 FCAELP COC[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000660714053 493375240 /nfs/dbraw/zinc/37/52/40/493375240.db2.gz XEPQGCHJLYXTLX-WMZOPIPTSA-N 2 2 368.522 0.896 10 0 FCAELP COC[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000660714053 493375241 /nfs/dbraw/zinc/37/52/41/493375241.db2.gz XEPQGCHJLYXTLX-WMZOPIPTSA-N 2 2 368.522 0.896 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)CC1 ZINC000660861437 493388196 /nfs/dbraw/zinc/38/81/96/493388196.db2.gz LRDKQDKJOIWXIR-WBVHZDCISA-N 2 2 357.458 0.201 10 0 FCAELP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)CC1 ZINC000660861437 493388198 /nfs/dbraw/zinc/38/81/98/493388198.db2.gz LRDKQDKJOIWXIR-WBVHZDCISA-N 2 2 357.458 0.201 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CN1CCN(C2CC2)C1=O ZINC000668689501 493397463 /nfs/dbraw/zinc/39/74/63/493397463.db2.gz SHQZQYFNJWBJEJ-UHFFFAOYSA-N 2 2 351.495 0.371 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CN1CCN(C2CC2)C1=O ZINC000668689501 493397465 /nfs/dbraw/zinc/39/74/65/493397465.db2.gz SHQZQYFNJWBJEJ-UHFFFAOYSA-N 2 2 351.495 0.371 10 0 FCAELP O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000684181919 493400135 /nfs/dbraw/zinc/40/01/35/493400135.db2.gz HRFSQUJCXAJVDR-IAGOWNOFSA-N 2 2 361.465 0.848 10 0 FCAELP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CCO1 ZINC000668784282 493409869 /nfs/dbraw/zinc/40/98/69/493409869.db2.gz AMVJRYUAMAVWLT-SFHVURJKSA-N 3 2 362.522 0.771 10 0 FCAELP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CCO1 ZINC000668784282 493409870 /nfs/dbraw/zinc/40/98/70/493409870.db2.gz AMVJRYUAMAVWLT-SFHVURJKSA-N 3 2 362.522 0.771 10 0 FCAELP O=C(C[N@@H+]1CC[C@H](Cn2ccnn2)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000661145358 493412045 /nfs/dbraw/zinc/41/20/45/493412045.db2.gz KZYGGJWBNIZPTK-INIZCTEOSA-N 2 2 358.446 0.537 10 0 FCAELP O=C(C[N@H+]1CC[C@H](Cn2ccnn2)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000661145358 493412047 /nfs/dbraw/zinc/41/20/47/493412047.db2.gz KZYGGJWBNIZPTK-INIZCTEOSA-N 2 2 358.446 0.537 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCO[C@@](C)(C3CC3)C2)C1 ZINC000661163906 493414123 /nfs/dbraw/zinc/41/41/23/493414123.db2.gz GOVBJGRBDUGHFP-IEBWSBKVSA-N 2 2 353.507 0.960 10 0 FCAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCO[C@@](C)(C3CC3)C2)C1 ZINC000661163906 493414125 /nfs/dbraw/zinc/41/41/25/493414125.db2.gz GOVBJGRBDUGHFP-IEBWSBKVSA-N 2 2 353.507 0.960 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCO[C@@](C)(C3CC3)C2)C1 ZINC000661163906 493414128 /nfs/dbraw/zinc/41/41/28/493414128.db2.gz GOVBJGRBDUGHFP-IEBWSBKVSA-N 2 2 353.507 0.960 10 0 FCAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCO[C@@](C)(C3CC3)C2)C1 ZINC000661163906 493414131 /nfs/dbraw/zinc/41/41/31/493414131.db2.gz GOVBJGRBDUGHFP-IEBWSBKVSA-N 2 2 353.507 0.960 10 0 FCAELP C[C@H]([C@H](C)NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)[NH+]1CCOCC1 ZINC000668828496 493416911 /nfs/dbraw/zinc/41/69/11/493416911.db2.gz CXJSBRDMHPCMKD-RRFJBIMHSA-N 2 2 354.495 0.201 10 0 FCAELP C[C@H]([C@H](C)NC(=O)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)[NH+]1CCOCC1 ZINC000668828496 493416915 /nfs/dbraw/zinc/41/69/15/493416915.db2.gz CXJSBRDMHPCMKD-RRFJBIMHSA-N 2 2 354.495 0.201 10 0 FCAELP CN(C)c1[nH+]cc(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)n1C ZINC000668867217 493425076 /nfs/dbraw/zinc/42/50/76/493425076.db2.gz NBMQGWQUPMVTTN-LBPRGKRZSA-N 2 2 350.467 0.091 10 0 FCAELP CN(C)c1[nH+]cc(CNC(=O)C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)n1C ZINC000668867217 493425078 /nfs/dbraw/zinc/42/50/78/493425078.db2.gz NBMQGWQUPMVTTN-LBPRGKRZSA-N 2 2 350.467 0.091 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC(CO)(CO)C2)CC1 ZINC000661944981 493477494 /nfs/dbraw/zinc/47/74/94/493477494.db2.gz MOOAFUZWYDBZKF-QGZVFWFLSA-N 2 2 361.486 0.569 10 0 FCAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC(CO)(CO)C2)CC1 ZINC000661944981 493477496 /nfs/dbraw/zinc/47/74/96/493477496.db2.gz MOOAFUZWYDBZKF-QGZVFWFLSA-N 2 2 361.486 0.569 10 0 FCAELP CCC[C@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)S(N)(=O)=O ZINC000669251850 493483212 /nfs/dbraw/zinc/48/32/12/493483212.db2.gz GWPNIPDVNCCYFI-OAHLLOKOSA-N 2 2 374.551 0.510 10 0 FCAELP CN(C)C(=O)CC[NH+]1CCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000675535712 493487568 /nfs/dbraw/zinc/48/75/68/493487568.db2.gz KUDSLLYZDCBJSQ-UHFFFAOYSA-N 2 2 371.445 0.895 10 0 FCAELP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000669405419 493502508 /nfs/dbraw/zinc/50/25/08/493502508.db2.gz CZHPXUQNYMHQOQ-TZMCWYRMSA-N 2 2 364.462 0.491 10 0 FCAELP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000669461701 493505070 /nfs/dbraw/zinc/50/50/70/493505070.db2.gz UGPCEOPZMLVVFI-KLAILNCOSA-N 2 2 353.511 0.223 10 0 FCAELP C[C@@H]1COCC[N@H+]1CCNC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000669461701 493505072 /nfs/dbraw/zinc/50/50/72/493505072.db2.gz UGPCEOPZMLVVFI-KLAILNCOSA-N 2 2 353.511 0.223 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[NH2+]C[C@@H]3c3cccnc3)C2)CC1 ZINC000669484121 493506430 /nfs/dbraw/zinc/50/64/30/493506430.db2.gz CAVAAHOZVQPWQV-PKOBYXMFSA-N 3 2 372.517 0.906 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[NH2+]C[C@@H]3c3cccnc3)C2)CC1 ZINC000669484119 493506840 /nfs/dbraw/zinc/50/68/40/493506840.db2.gz CAVAAHOZVQPWQV-IEBWSBKVSA-N 3 2 372.517 0.906 10 0 FCAELP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000662348114 493508579 /nfs/dbraw/zinc/50/85/79/493508579.db2.gz OHFRMVPWDOUURO-LSDHHAIUSA-N 2 2 354.520 0.905 10 0 FCAELP C[N@@H+]1CCN(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)[C@H](C[NH3+])C1 ZINC000669526060 493509138 /nfs/dbraw/zinc/50/91/38/493509138.db2.gz UBSKCSFWSZISDJ-QWHCGFSZSA-N 2 2 353.417 0.828 10 0 FCAELP C[N@H+]1CCN(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)[C@H](C[NH3+])C1 ZINC000669526060 493509141 /nfs/dbraw/zinc/50/91/41/493509141.db2.gz UBSKCSFWSZISDJ-QWHCGFSZSA-N 2 2 353.417 0.828 10 0 FCAELP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000685785109 493515280 /nfs/dbraw/zinc/51/52/80/493515280.db2.gz IUWOSPJLGLYOAV-GOSISDBHSA-N 2 2 374.485 0.897 10 0 FCAELP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000662741178 493536136 /nfs/dbraw/zinc/53/61/36/493536136.db2.gz DDRONUWOKKKPTO-JKSUJKDBSA-N 2 2 352.429 0.916 10 0 FCAELP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000662741178 493536138 /nfs/dbraw/zinc/53/61/38/493536138.db2.gz DDRONUWOKKKPTO-JKSUJKDBSA-N 2 2 352.429 0.916 10 0 FCAELP C[C@H](NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676279989 493540178 /nfs/dbraw/zinc/54/01/78/493540178.db2.gz RXMJDJQUFQVSNH-WFASDCNBSA-N 2 2 358.402 0.041 10 0 FCAELP C[C@H](NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676279989 493540180 /nfs/dbraw/zinc/54/01/80/493540180.db2.gz RXMJDJQUFQVSNH-WFASDCNBSA-N 2 2 358.402 0.041 10 0 FCAELP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CC4CC3(C[NH3+])C4)CC2)c1 ZINC000662922872 493553827 /nfs/dbraw/zinc/55/38/27/493553827.db2.gz FHGXAUKCVQPMSS-UHFFFAOYSA-N 2 2 356.470 0.589 10 0 FCAELP CCc1c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[nH]c(C)c1C(N)=O ZINC000676639935 493564337 /nfs/dbraw/zinc/56/43/37/493564337.db2.gz FJUTYOFAFLYUSE-CYBMUJFWSA-N 2 2 361.490 0.883 10 0 FCAELP CCc1c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[nH]c(C)c1C(N)=O ZINC000676639935 493564338 /nfs/dbraw/zinc/56/43/38/493564338.db2.gz FJUTYOFAFLYUSE-CYBMUJFWSA-N 2 2 361.490 0.883 10 0 FCAELP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000676705822 493567783 /nfs/dbraw/zinc/56/77/83/493567783.db2.gz YHHMGSVUWPGHFO-DLBZAZTESA-N 2 2 355.504 0.493 10 0 FCAELP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000676705822 493567785 /nfs/dbraw/zinc/56/77/85/493567785.db2.gz YHHMGSVUWPGHFO-DLBZAZTESA-N 2 2 355.504 0.493 10 0 FCAELP CNS(=O)(=O)C[C@@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000676705822 493567786 /nfs/dbraw/zinc/56/77/86/493567786.db2.gz YHHMGSVUWPGHFO-DLBZAZTESA-N 2 2 355.504 0.493 10 0 FCAELP CNS(=O)(=O)C[C@@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000676705822 493567788 /nfs/dbraw/zinc/56/77/88/493567788.db2.gz YHHMGSVUWPGHFO-DLBZAZTESA-N 2 2 355.504 0.493 10 0 FCAELP Cc1cn2c([nH+]1)CN(C(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)CC2 ZINC000670608874 493580861 /nfs/dbraw/zinc/58/08/61/493580861.db2.gz KBFOJPPUANNNMZ-KRWDZBQOSA-N 2 2 369.469 0.823 10 0 FCAELP C[C@H](C(=O)N1CCOC2(C[NH2+]C2)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000663489701 493592794 /nfs/dbraw/zinc/59/27/94/493592794.db2.gz JUFSZNFCMNPTEO-OAHLLOKOSA-N 2 2 362.449 0.537 10 0 FCAELP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000670815055 493599570 /nfs/dbraw/zinc/59/95/70/493599570.db2.gz KQKUUTVCQSZRII-INIZCTEOSA-N 2 2 359.474 0.899 10 0 FCAELP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000670815055 493599572 /nfs/dbraw/zinc/59/95/72/493599572.db2.gz KQKUUTVCQSZRII-INIZCTEOSA-N 2 2 359.474 0.899 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccnc(-n2cccn2)c1 ZINC000663596708 493602346 /nfs/dbraw/zinc/60/23/46/493602346.db2.gz ZLMQKKWINGZHTP-UHFFFAOYSA-N 2 2 359.478 0.950 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccnc(-n2cccn2)c1 ZINC000663596708 493602348 /nfs/dbraw/zinc/60/23/48/493602348.db2.gz ZLMQKKWINGZHTP-UHFFFAOYSA-N 2 2 359.478 0.950 10 0 FCAELP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000671058867 493628298 /nfs/dbraw/zinc/62/82/98/493628298.db2.gz MWWUJROGONCTPS-KRWDZBQOSA-N 2 2 373.501 0.135 10 0 FCAELP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000671058867 493628300 /nfs/dbraw/zinc/62/83/00/493628300.db2.gz MWWUJROGONCTPS-KRWDZBQOSA-N 2 2 373.501 0.135 10 0 FCAELP O=C(NC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671102025 493633708 /nfs/dbraw/zinc/63/37/08/493633708.db2.gz UPQDOKILSFGVLV-SJORKVTESA-N 2 2 371.485 0.910 10 0 FCAELP O=C(NC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671102025 493633710 /nfs/dbraw/zinc/63/37/10/493633710.db2.gz UPQDOKILSFGVLV-SJORKVTESA-N 2 2 371.485 0.910 10 0 FCAELP C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C(=O)N1CCCC[C@@H]1C ZINC000664168525 493641214 /nfs/dbraw/zinc/64/12/14/493641214.db2.gz GBZLXFUSWJNJOL-HOTGVXAUSA-N 2 2 355.527 0.959 10 0 FCAELP C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C(=O)N1CCCC[C@@H]1C ZINC000664168525 493641217 /nfs/dbraw/zinc/64/12/17/493641217.db2.gz GBZLXFUSWJNJOL-HOTGVXAUSA-N 2 2 355.527 0.959 10 0 FCAELP C[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C(=O)N1CCCC[C@@H]1C ZINC000664168528 493641295 /nfs/dbraw/zinc/64/12/95/493641295.db2.gz GBZLXFUSWJNJOL-JKSUJKDBSA-N 2 2 355.527 0.959 10 0 FCAELP C[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C(=O)N1CCCC[C@@H]1C ZINC000664168528 493641296 /nfs/dbraw/zinc/64/12/96/493641296.db2.gz GBZLXFUSWJNJOL-JKSUJKDBSA-N 2 2 355.527 0.959 10 0 FCAELP CN(C(=O)CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1CCCCC1 ZINC000664313717 493652353 /nfs/dbraw/zinc/65/23/53/493652353.db2.gz WIMWSSXFVXISBP-UHFFFAOYSA-N 2 2 355.527 0.960 10 0 FCAELP CN(C(=O)CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1CCCCC1 ZINC000664313717 493652354 /nfs/dbraw/zinc/65/23/54/493652354.db2.gz WIMWSSXFVXISBP-UHFFFAOYSA-N 2 2 355.527 0.960 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCn1c2ccccc2[nH]c1=O ZINC000664342132 493654747 /nfs/dbraw/zinc/65/47/47/493654747.db2.gz RLYZPOQOZKXSFD-UHFFFAOYSA-N 2 2 362.478 0.925 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCn1c2ccccc2[nH]c1=O ZINC000664342132 493654748 /nfs/dbraw/zinc/65/47/48/493654748.db2.gz RLYZPOQOZKXSFD-UHFFFAOYSA-N 2 2 362.478 0.925 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000664448425 493660536 /nfs/dbraw/zinc/66/05/36/493660536.db2.gz RJRUKIPDNKHYAA-QGZVFWFLSA-N 2 2 367.538 0.960 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000664448425 493660537 /nfs/dbraw/zinc/66/05/37/493660537.db2.gz RJRUKIPDNKHYAA-QGZVFWFLSA-N 2 2 367.538 0.960 10 0 FCAELP CN(C(=O)C(=O)NCC[NH+]1Cc2ccccc2C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000671394340 493664808 /nfs/dbraw/zinc/66/48/08/493664808.db2.gz IYPGYRPVTIQUIH-SFHVURJKSA-N 2 2 356.470 0.814 10 0 FCAELP CN(C(=O)C(=O)NCC[NH+]1Cc2ccccc2C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000671394340 493664811 /nfs/dbraw/zinc/66/48/11/493664811.db2.gz IYPGYRPVTIQUIH-SFHVURJKSA-N 2 2 356.470 0.814 10 0 FCAELP CC(C)NC(=O)[C@@H]1CCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000664539315 493666244 /nfs/dbraw/zinc/66/62/44/493666244.db2.gz MPPOYRWUSGXOSL-MRXNPFEDSA-N 2 2 367.538 0.959 10 0 FCAELP C[NH+](C)C1CC[NH+](CCNC(=O)NCCC2(CS(C)(=O)=O)CC2)CC1 ZINC000664538103 493666497 /nfs/dbraw/zinc/66/64/97/493666497.db2.gz YOXLQNDRYRPQCH-UHFFFAOYSA-N 2 2 374.551 0.527 10 0 FCAELP CO[C@@H]1CCC[C@@H]([C@H](CO)NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000664537868 493666684 /nfs/dbraw/zinc/66/66/84/493666684.db2.gz RSRSFTNTPBBNLK-NXHRZFHOSA-N 2 2 370.538 0.878 10 0 FCAELP C[C@H](CCNC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)[NH+](C)C ZINC000664632381 493673993 /nfs/dbraw/zinc/67/39/93/493673993.db2.gz RRCSTGLSEJWKHA-ZIAGYGMSSA-N 2 2 350.467 0.551 10 0 FCAELP Cc1c(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cccc1-n1cnnn1 ZINC000665225399 493705971 /nfs/dbraw/zinc/70/59/71/493705971.db2.gz LYGWOVRGDSRKBN-UHFFFAOYSA-N 2 2 360.466 0.976 10 0 FCAELP Cc1c(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cccc1-n1cnnn1 ZINC000665225399 493705974 /nfs/dbraw/zinc/70/59/74/493705974.db2.gz LYGWOVRGDSRKBN-UHFFFAOYSA-N 2 2 360.466 0.976 10 0 FCAELP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000680361020 493715019 /nfs/dbraw/zinc/71/50/19/493715019.db2.gz JWDKFCYEOOYMNM-INIZCTEOSA-N 2 2 350.507 0.873 10 0 FCAELP CO[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCOC1 ZINC000665477850 493717327 /nfs/dbraw/zinc/71/73/27/493717327.db2.gz QSSPPALHVNFMFM-KBAYOESNSA-N 2 2 368.522 0.848 10 0 FCAELP CO[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCOC1 ZINC000665477850 493717328 /nfs/dbraw/zinc/71/73/28/493717328.db2.gz QSSPPALHVNFMFM-KBAYOESNSA-N 2 2 368.522 0.848 10 0 FCAELP Cc1ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1-n1cnnn1 ZINC000665496622 493718701 /nfs/dbraw/zinc/71/87/01/493718701.db2.gz NWLNBQINWAJDGS-UHFFFAOYSA-N 2 2 360.466 0.976 10 0 FCAELP Cc1ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1-n1cnnn1 ZINC000665496622 493718702 /nfs/dbraw/zinc/71/87/02/493718702.db2.gz NWLNBQINWAJDGS-UHFFFAOYSA-N 2 2 360.466 0.976 10 0 FCAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000665764030 493735851 /nfs/dbraw/zinc/73/58/51/493735851.db2.gz RWZXMDVSPKRRIP-YESZJQIVSA-N 3 2 355.527 0.421 10 0 FCAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000665764030 493735853 /nfs/dbraw/zinc/73/58/53/493735853.db2.gz RWZXMDVSPKRRIP-YESZJQIVSA-N 3 2 355.527 0.421 10 0 FCAELP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000665764030 493735854 /nfs/dbraw/zinc/73/58/54/493735854.db2.gz RWZXMDVSPKRRIP-YESZJQIVSA-N 3 2 355.527 0.421 10 0 FCAELP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000665764030 493735856 /nfs/dbraw/zinc/73/58/56/493735856.db2.gz RWZXMDVSPKRRIP-YESZJQIVSA-N 3 2 355.527 0.421 10 0 FCAELP C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCc4[nH+]c[nH]c4C3)cn2)CC1 ZINC000665853003 493741613 /nfs/dbraw/zinc/74/16/13/493741613.db2.gz XOIGJYLUQFKXBN-HNNXBMFYSA-N 2 2 354.458 0.978 10 0 FCAELP CNS(=O)(=O)c1ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000666120305 493757763 /nfs/dbraw/zinc/75/77/63/493757763.db2.gz QMFSPFLGGZATFY-UHFFFAOYSA-N 2 2 371.507 0.600 10 0 FCAELP CNS(=O)(=O)c1ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000666120305 493757765 /nfs/dbraw/zinc/75/77/65/493757765.db2.gz QMFSPFLGGZATFY-UHFFFAOYSA-N 2 2 371.507 0.600 10 0 FCAELP CCN(C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]1CC[N@H+](C)C1 ZINC000666124304 493758807 /nfs/dbraw/zinc/75/88/07/493758807.db2.gz FVTHAWYRZSAJLX-OAHLLOKOSA-N 2 2 350.467 0.773 10 0 FCAELP CCN(C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]1CC[N@@H+](C)C1 ZINC000666124304 493758809 /nfs/dbraw/zinc/75/88/09/493758809.db2.gz FVTHAWYRZSAJLX-OAHLLOKOSA-N 2 2 350.467 0.773 10 0 FCAELP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000410731445 527957061 /nfs/dbraw/zinc/95/70/61/527957061.db2.gz GRJAETJILAUCOR-SJORKVTESA-N 2 2 368.522 0.497 10 0 FCAELP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000410731445 527957065 /nfs/dbraw/zinc/95/70/65/527957065.db2.gz GRJAETJILAUCOR-SJORKVTESA-N 2 2 368.522 0.497 10 0 FCAELP CC(C)[C@H](CNC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C)[NH+]1CCOCC1 ZINC000419411128 534999273 /nfs/dbraw/zinc/99/92/73/534999273.db2.gz PMQDUGNDAWQKJX-BBWFWOEESA-N 2 2 356.511 0.440 10 0 FCAELP CC(C)[C@H](CNC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C)[NH+]1CCOCC1 ZINC000419411128 534999279 /nfs/dbraw/zinc/99/92/79/534999279.db2.gz PMQDUGNDAWQKJX-BBWFWOEESA-N 2 2 356.511 0.440 10 0 FCAELP CC[NH2+]CCNC(=O)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000419708145 535463247 /nfs/dbraw/zinc/46/32/47/535463247.db2.gz GTLKFAQRLGQINX-UHFFFAOYSA-N 2 2 352.866 0.540 10 0 FCAELP CC[NH2+]CCNC(=O)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000419708145 535463252 /nfs/dbraw/zinc/46/32/52/535463252.db2.gz GTLKFAQRLGQINX-UHFFFAOYSA-N 2 2 352.866 0.540 10 0 FCAELP CCN1CC[NH+](CCCCNC(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)CC1 ZINC000419430599 535689200 /nfs/dbraw/zinc/68/92/00/535689200.db2.gz WBQNEGFEXOVAFV-ROUUACIJSA-N 2 2 369.554 0.501 10 0 FCAELP CCN1CC[NH+](CCCCNC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)CC1 ZINC000419430599 535689203 /nfs/dbraw/zinc/68/92/03/535689203.db2.gz WBQNEGFEXOVAFV-ROUUACIJSA-N 2 2 369.554 0.501 10 0 FCAELP CC[NH+]1CCN(CCCCNC(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)CC1 ZINC000419430599 535689207 /nfs/dbraw/zinc/68/92/07/535689207.db2.gz WBQNEGFEXOVAFV-ROUUACIJSA-N 2 2 369.554 0.501 10 0 FCAELP CC[NH+]1CCN(CCCCNC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)CC1 ZINC000419430599 535689213 /nfs/dbraw/zinc/68/92/13/535689213.db2.gz WBQNEGFEXOVAFV-ROUUACIJSA-N 2 2 369.554 0.501 10 0 FCAELP CCN1CC[NH+](C[C@H](C)CNC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)CC1 ZINC000419460519 535712322 /nfs/dbraw/zinc/71/23/22/535712322.db2.gz IDRLYDLSXDUNEV-KZNAEPCWSA-N 2 2 369.554 0.357 10 0 FCAELP CCN1CC[NH+](C[C@H](C)CNC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)CC1 ZINC000419460519 535712326 /nfs/dbraw/zinc/71/23/26/535712326.db2.gz IDRLYDLSXDUNEV-KZNAEPCWSA-N 2 2 369.554 0.357 10 0 FCAELP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)CC1 ZINC000419460519 535712330 /nfs/dbraw/zinc/71/23/30/535712330.db2.gz IDRLYDLSXDUNEV-KZNAEPCWSA-N 2 2 369.554 0.357 10 0 FCAELP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)CC1 ZINC000419460519 535712335 /nfs/dbraw/zinc/71/23/35/535712335.db2.gz IDRLYDLSXDUNEV-KZNAEPCWSA-N 2 2 369.554 0.357 10 0 FCAELP COC(=O)c1coc(S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000594803997 546827605 /nfs/dbraw/zinc/82/76/05/546827605.db2.gz UBDFEPPHMIMOOY-LBPRGKRZSA-N 2 2 361.464 0.617 10 0 FCAELP COC(=O)c1coc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000594803997 546827611 /nfs/dbraw/zinc/82/76/11/546827611.db2.gz UBDFEPPHMIMOOY-LBPRGKRZSA-N 2 2 361.464 0.617 10 0 FCAELP COC(=O)c1sccc1S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000594822185 546836026 /nfs/dbraw/zinc/83/60/26/546836026.db2.gz RPWRDPBSRQFPAT-UHFFFAOYSA-N 2 2 363.505 0.697 10 0 FCAELP COC(=O)c1sccc1S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000594822185 546836032 /nfs/dbraw/zinc/83/60/32/546836032.db2.gz RPWRDPBSRQFPAT-UHFFFAOYSA-N 2 2 363.505 0.697 10 0 FCAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSC[C@H]2C[NH+](C)CCO2)C1 ZINC000583084027 546903956 /nfs/dbraw/zinc/90/39/56/546903956.db2.gz RRIODVHUZWIEJR-JKSUJKDBSA-N 2 2 359.536 0.523 10 0 FCAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CSC[C@H]2C[NH+](C)CCO2)C1 ZINC000583084027 546903959 /nfs/dbraw/zinc/90/39/59/546903959.db2.gz RRIODVHUZWIEJR-JKSUJKDBSA-N 2 2 359.536 0.523 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CSC[C@H]2C[N@H+](C)CCO2)C1 ZINC000583084027 546903961 /nfs/dbraw/zinc/90/39/61/546903961.db2.gz RRIODVHUZWIEJR-JKSUJKDBSA-N 2 2 359.536 0.523 10 0 FCAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CSC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000583084027 546903964 /nfs/dbraw/zinc/90/39/64/546903964.db2.gz RRIODVHUZWIEJR-JKSUJKDBSA-N 2 2 359.536 0.523 10 0 FCAELP CCNc1nc(N2CC[NH+]([C@@H](CC)CO)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000553395028 547274948 /nfs/dbraw/zinc/27/49/48/547274948.db2.gz BCCDGTGBEOGDJY-ZDUSSCGKSA-N 2 2 351.499 0.829 10 0 FCAELP CO[C@H]1C[C@@H](C[NH+](C)C)N(c2cc(N3CCn4ncnc4C3)[nH+]cn2)C1 ZINC000685943349 571103854 /nfs/dbraw/zinc/10/38/54/571103854.db2.gz ZQLFNHDLUJTXCX-KBPBESRZSA-N 2 2 358.450 0.244 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCCN1CCOC1=O ZINC000729610389 665736759 /nfs/dbraw/zinc/73/67/59/665736759.db2.gz YHNOQPSCEVLNEJ-UHFFFAOYSA-N 2 2 355.483 0.496 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCCN1CCOC1=O ZINC000729610389 665736762 /nfs/dbraw/zinc/73/67/62/665736762.db2.gz YHNOQPSCEVLNEJ-UHFFFAOYSA-N 2 2 355.483 0.496 10 0 FCAELP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000897718019 665767563 /nfs/dbraw/zinc/76/75/63/665767563.db2.gz ZMKMGQOGRDYXCG-OAHLLOKOSA-N 2 2 350.438 0.714 10 0 FCAELP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000897718019 665767566 /nfs/dbraw/zinc/76/75/66/665767566.db2.gz ZMKMGQOGRDYXCG-OAHLLOKOSA-N 2 2 350.438 0.714 10 0 FCAELP C[NH+]1CCC(CN2C(=O)[C@@H]3C[C@@H](O)CN3C2=O)([NH+]2CCCCC2)CC1 ZINC000925325289 665830728 /nfs/dbraw/zinc/83/07/28/665830728.db2.gz HAUFCPVHNXDLGJ-CABCVRRESA-N 2 2 350.463 0.334 10 0 FCAELP CCOC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000052870164 663651530 /nfs/dbraw/zinc/65/15/30/663651530.db2.gz PTGUINUZRVQYLE-OAHLLOKOSA-N 2 2 352.479 0.940 10 0 FCAELP CCOC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000052870164 663651531 /nfs/dbraw/zinc/65/15/31/663651531.db2.gz PTGUINUZRVQYLE-OAHLLOKOSA-N 2 2 352.479 0.940 10 0 FCAELP CN(C(=O)NC1CC(CC(N)=O)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000925078165 664977103 /nfs/dbraw/zinc/97/71/03/664977103.db2.gz KXMPDGDOTNHKMG-ZBCRRDGASA-N 2 2 351.495 0.450 10 0 FCAELP CN(C(=O)NC1CC(CC(N)=O)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000925078165 664977104 /nfs/dbraw/zinc/97/71/04/664977104.db2.gz KXMPDGDOTNHKMG-ZBCRRDGASA-N 2 2 351.495 0.450 10 0 FCAELP COC(=O)[C@H]1[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C1(F)F ZINC000894752104 664979494 /nfs/dbraw/zinc/97/94/94/664979494.db2.gz HRHRWIBPRADJMC-CBPAIQIRSA-N 2 2 359.417 0.714 10 0 FCAELP COC(=O)[C@H]1[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1(F)F ZINC000894752104 664979496 /nfs/dbraw/zinc/97/94/96/664979496.db2.gz HRHRWIBPRADJMC-CBPAIQIRSA-N 2 2 359.417 0.714 10 0 FCAELP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C2C[NH+]([C@@H]3CCOC3)C2)C[C@@H](C)O1 ZINC000895875310 665061897 /nfs/dbraw/zinc/06/18/97/665061897.db2.gz LWLOHJUZXLOHRY-XYVMCAHJSA-N 2 2 351.491 0.807 10 0 FCAELP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000925169341 665177204 /nfs/dbraw/zinc/17/72/04/665177204.db2.gz CEFAQYFGCYMUGF-FPCVCCKLSA-N 2 2 356.536 0.663 10 0 FCAELP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000925169341 665177207 /nfs/dbraw/zinc/17/72/07/665177207.db2.gz CEFAQYFGCYMUGF-FPCVCCKLSA-N 2 2 356.536 0.663 10 0 FCAELP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925169341 665177209 /nfs/dbraw/zinc/17/72/09/665177209.db2.gz CEFAQYFGCYMUGF-FPCVCCKLSA-N 2 2 356.536 0.663 10 0 FCAELP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000925169341 665177211 /nfs/dbraw/zinc/17/72/11/665177211.db2.gz CEFAQYFGCYMUGF-FPCVCCKLSA-N 2 2 356.536 0.663 10 0 FCAELP COc1ccccc1[C@H]1C[NH2+]CCN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905342963 666021041 /nfs/dbraw/zinc/02/10/41/666021041.db2.gz DLUHQOQBRDWGGN-MRXNPFEDSA-N 2 2 353.488 0.971 10 0 FCAELP C/C(=C\C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)C[NH+]1CCOCC1 ZINC000907457712 666133347 /nfs/dbraw/zinc/13/33/47/666133347.db2.gz TXNYEHWZGFDMSI-BMRADRMJSA-N 2 2 352.523 0.797 10 0 FCAELP CC[N@@H+]1CC[C@H]2OCCN(C(=O)CC[NH+]3CCN(C(C)C)CC3)[C@H]2C1 ZINC000908418404 666206504 /nfs/dbraw/zinc/20/65/04/666206504.db2.gz OFYRUIZQYAFTFJ-ZWKOTPCHSA-N 2 2 352.523 0.724 10 0 FCAELP CC[N@H+]1CC[C@H]2OCCN(C(=O)CC[NH+]3CCN(C(C)C)CC3)[C@H]2C1 ZINC000908418404 666206508 /nfs/dbraw/zinc/20/65/08/666206508.db2.gz OFYRUIZQYAFTFJ-ZWKOTPCHSA-N 2 2 352.523 0.724 10 0 FCAELP C/C(=C\C(=O)N1CCC([N@@H+]2CCCOCC2)CC1)C[NH+]1CCOCC1 ZINC000910366540 666243758 /nfs/dbraw/zinc/24/37/58/666243758.db2.gz NCLIMGZLWRJZMV-BMRADRMJSA-N 2 2 351.491 0.978 10 0 FCAELP C/C(=C\C(=O)N1CCC([N@H+]2CCCOCC2)CC1)C[NH+]1CCOCC1 ZINC000910366540 666243761 /nfs/dbraw/zinc/24/37/61/666243761.db2.gz NCLIMGZLWRJZMV-BMRADRMJSA-N 2 2 351.491 0.978 10 0 FCAELP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2C[C@@H](C)[NH+](CCO)C[C@H]2C)C1 ZINC000910925033 666297052 /nfs/dbraw/zinc/29/70/52/666297052.db2.gz GLINZZSHDFORPJ-BZUAXINKSA-N 2 2 355.479 0.175 10 0 FCAELP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2C[C@@H](C)[NH+](CCO)C[C@H]2C)C1 ZINC000910925033 666297054 /nfs/dbraw/zinc/29/70/54/666297054.db2.gz GLINZZSHDFORPJ-BZUAXINKSA-N 2 2 355.479 0.175 10 0 FCAELP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)C1 ZINC000910925033 666297055 /nfs/dbraw/zinc/29/70/55/666297055.db2.gz GLINZZSHDFORPJ-BZUAXINKSA-N 2 2 355.479 0.175 10 0 FCAELP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)C1 ZINC000910925033 666297059 /nfs/dbraw/zinc/29/70/59/666297059.db2.gz GLINZZSHDFORPJ-BZUAXINKSA-N 2 2 355.479 0.175 10 0 FCAELP CC(C)C[NH2+]C1(CO)CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000912587318 666459326 /nfs/dbraw/zinc/45/93/26/666459326.db2.gz QJNKOUJFAKRDGE-UHFFFAOYSA-N 2 2 353.507 0.840 10 0 FCAELP C/C(=C\C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C[NH+]1CCOCC1 ZINC000913436213 666526617 /nfs/dbraw/zinc/52/66/17/666526617.db2.gz GLIWLCQYMCIXAH-RRBNNULLSA-N 3 2 352.523 0.463 10 0 FCAELP CC(C)(CNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12)[NH+]1CCOCC1 ZINC000913876438 666661004 /nfs/dbraw/zinc/66/10/04/666661004.db2.gz AILLNGDYMWTKAH-LSDHHAIUSA-N 2 2 356.536 0.976 10 0 FCAELP CC(C)(CNC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12)[NH+]1CCOCC1 ZINC000913876438 666661007 /nfs/dbraw/zinc/66/10/07/666661007.db2.gz AILLNGDYMWTKAH-LSDHHAIUSA-N 2 2 356.536 0.976 10 0 FCAELP CN(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732464068 666874930 /nfs/dbraw/zinc/87/49/30/666874930.db2.gz WGJFHRUJTUSVMQ-MRXNPFEDSA-N 2 2 372.535 0.374 10 0 FCAELP CN(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000732464068 666874934 /nfs/dbraw/zinc/87/49/34/666874934.db2.gz WGJFHRUJTUSVMQ-MRXNPFEDSA-N 2 2 372.535 0.374 10 0 FCAELP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000917061557 667050452 /nfs/dbraw/zinc/05/04/52/667050452.db2.gz MGBVQDNIWRCOFR-MRXNPFEDSA-N 2 2 352.504 0.416 10 0 FCAELP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)cc1 ZINC000917061557 667050455 /nfs/dbraw/zinc/05/04/55/667050455.db2.gz MGBVQDNIWRCOFR-MRXNPFEDSA-N 2 2 352.504 0.416 10 0 FCAELP O=C1C[C@H]([NH2+][C@@H](C2CCC2)[C@H]2CCOC2)CN1CC[NH+]1CCOCC1 ZINC000925445535 667092887 /nfs/dbraw/zinc/09/28/87/667092887.db2.gz CTVBHPVNYFUBED-LNLFQRSKSA-N 2 2 351.491 0.714 10 0 FCAELP O=C1C[C@@H]([NH2+][C@H](C2CC2)C2CCOCC2)CN1CC[NH+]1CCOCC1 ZINC000925450897 667116498 /nfs/dbraw/zinc/11/64/98/667116498.db2.gz RUHAHJADQXILHY-IEBWSBKVSA-N 2 2 351.491 0.714 10 0 FCAELP CN1C[C@H](CCNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000918912407 667140909 /nfs/dbraw/zinc/14/09/09/667140909.db2.gz GGHRHMYQKYBWSG-HUUCEWRRSA-N 2 2 351.495 0.323 10 0 FCAELP CN1C[C@H](CCNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000918912407 667140910 /nfs/dbraw/zinc/14/09/10/667140910.db2.gz GGHRHMYQKYBWSG-HUUCEWRRSA-N 2 2 351.495 0.323 10 0 FCAELP CCOC1CC(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)([NH+]2CCOCC2)C1 ZINC000922212148 667618798 /nfs/dbraw/zinc/61/87/98/667618798.db2.gz CKYGETGATLORFN-VUGNNNGISA-N 2 2 354.495 0.648 10 0 FCAELP CCOC1CC(CNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)([NH+]2CCOCC2)C1 ZINC000922212148 667618799 /nfs/dbraw/zinc/61/87/99/667618799.db2.gz CKYGETGATLORFN-VUGNNNGISA-N 2 2 354.495 0.648 10 0 FCAELP O=S(=O)(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000923587799 667852674 /nfs/dbraw/zinc/85/26/74/667852674.db2.gz QEMJWRJKXSFSIW-KRWDZBQOSA-N 2 2 370.494 0.619 10 0 FCAELP CN(C)C(=O)C1CC[NH+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790370273 668875692 /nfs/dbraw/zinc/87/56/92/668875692.db2.gz STGBIEHNOIRSMY-GOSISDBHSA-N 2 2 350.463 0.661 10 0 FCAELP C[NH+]1CCN(C(=O)C[NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000798949312 669270345 /nfs/dbraw/zinc/27/03/45/669270345.db2.gz YQRAQUWXYOULNN-GOSISDBHSA-N 2 2 354.495 0.997 10 0 FCAELP CC(C)C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)C(=O)NCC[NH+](C)C ZINC000867027156 669330489 /nfs/dbraw/zinc/33/04/89/669330489.db2.gz JGHJCTRBQYVKPQ-JFDDCEBESA-N 2 2 354.495 0.084 10 0 FCAELP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000829645043 669714882 /nfs/dbraw/zinc/71/48/82/669714882.db2.gz CJWBSPDNKHJPJK-HUUCEWRRSA-N 2 2 354.495 0.996 10 0 FCAELP C[NH+]1CCC(CNC(=O)[C@H]2CCNC(=O)CC2)([NH+]2CCCCC2)CC1 ZINC000815707614 669920725 /nfs/dbraw/zinc/92/07/25/669920725.db2.gz IEJCXKFNXIKCCJ-MRXNPFEDSA-N 2 2 350.507 0.969 10 0 FCAELP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000867328008 670829751 /nfs/dbraw/zinc/82/97/51/670829751.db2.gz BAUYZKOMQGBAJF-UHFFFAOYSA-N 2 2 350.507 0.920 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)COCC(=O)OC(C)(C)C ZINC000843798068 670856783 /nfs/dbraw/zinc/85/67/83/670856783.db2.gz PKNGTZJQKPYEKK-UHFFFAOYSA-N 2 2 357.495 0.829 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)COCC(=O)OC(C)(C)C ZINC000843798068 670856793 /nfs/dbraw/zinc/85/67/93/670856793.db2.gz PKNGTZJQKPYEKK-UHFFFAOYSA-N 2 2 357.495 0.829 10 0 FCAELP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)C[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000847559375 671206971 /nfs/dbraw/zinc/20/69/71/671206971.db2.gz HKYWTQLJZBIGKG-CABCVRRESA-N 2 2 354.495 0.996 10 0 FCAELP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)C[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000847559375 671206978 /nfs/dbraw/zinc/20/69/78/671206978.db2.gz HKYWTQLJZBIGKG-CABCVRRESA-N 2 2 354.495 0.996 10 0 FCAELP C[C@@H]1CC[NH+](CC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000847559375 671206983 /nfs/dbraw/zinc/20/69/83/671206983.db2.gz HKYWTQLJZBIGKG-CABCVRRESA-N 2 2 354.495 0.996 10 0 FCAELP C[C@@H]1CC[NH+](CC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000847559375 671206987 /nfs/dbraw/zinc/20/69/87/671206987.db2.gz HKYWTQLJZBIGKG-CABCVRRESA-N 2 2 354.495 0.996 10 0 FCAELP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000852087633 671486964 /nfs/dbraw/zinc/48/69/64/671486964.db2.gz OQBKJIZIJRHYBL-OAHLLOKOSA-N 2 2 374.551 0.667 10 0 FCAELP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000852087633 671486967 /nfs/dbraw/zinc/48/69/67/671486967.db2.gz OQBKJIZIJRHYBL-OAHLLOKOSA-N 2 2 374.551 0.667 10 0 FCAELP COC(=O)N(C)CCN(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000852127712 671489362 /nfs/dbraw/zinc/48/93/62/671489362.db2.gz BEMYYPNCLCCIRF-AWEZNQCLSA-N 2 2 355.483 0.495 10 0 FCAELP COC(=O)N(C)CCN(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000852127712 671489364 /nfs/dbraw/zinc/48/93/64/671489364.db2.gz BEMYYPNCLCCIRF-AWEZNQCLSA-N 2 2 355.483 0.495 10 0 FCAELP CN(C[C@@H](O)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)C(=O)OC(C)(C)C ZINC000852707407 671518879 /nfs/dbraw/zinc/51/88/79/671518879.db2.gz HVRYLWAXPYIWMR-JKSUJKDBSA-N 2 2 357.495 0.745 10 0 FCAELP CN(C[C@@H](O)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)C(=O)OC(C)(C)C ZINC000852707407 671518881 /nfs/dbraw/zinc/51/88/81/671518881.db2.gz HVRYLWAXPYIWMR-JKSUJKDBSA-N 2 2 357.495 0.745 10 0 FCAELP CCS(=O)(=O)CC[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852764228 671524722 /nfs/dbraw/zinc/52/47/22/671524722.db2.gz HJOMNIKPRVHRBJ-CQSZACIVSA-N 2 2 355.508 0.433 10 0 FCAELP CCS(=O)(=O)CC[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852764228 671524723 /nfs/dbraw/zinc/52/47/23/671524723.db2.gz HJOMNIKPRVHRBJ-CQSZACIVSA-N 2 2 355.508 0.433 10 0 FCAELP CNS(=O)(=O)c1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1F ZINC000855415181 671641945 /nfs/dbraw/zinc/64/19/45/671641945.db2.gz SWZXHRLDGNSLFF-UHFFFAOYSA-N 2 2 374.482 0.347 10 0 FCAELP CNS(=O)(=O)c1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1F ZINC000855415181 671641947 /nfs/dbraw/zinc/64/19/47/671641947.db2.gz SWZXHRLDGNSLFF-UHFFFAOYSA-N 2 2 374.482 0.347 10 0 FCAELP O=S(=O)(c1cnc2n1CCC2)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562566 675945234 /nfs/dbraw/zinc/94/52/34/675945234.db2.gz OSCJUDAXDXDHHH-GASCZTMLSA-N 2 2 365.503 0.419 10 0 FCAELP O=S(=O)(c1cnc2n1CCC2)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562566 675945235 /nfs/dbraw/zinc/94/52/35/675945235.db2.gz OSCJUDAXDXDHHH-GASCZTMLSA-N 2 2 365.503 0.419 10 0 FCAELP OCC[N@H+](CCOCC(F)(F)F)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903892747 675980830 /nfs/dbraw/zinc/98/08/30/675980830.db2.gz MHVAJUBAVRTQJK-GFCCVEGCSA-N 2 2 351.373 0.576 10 0 FCAELP OCC[N@@H+](CCOCC(F)(F)F)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903892747 675980831 /nfs/dbraw/zinc/98/08/31/675980831.db2.gz MHVAJUBAVRTQJK-GFCCVEGCSA-N 2 2 351.373 0.576 10 0 FCAELP COCCC[N@H+](C[C@H](C[NH3+])Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000903905187 675981436 /nfs/dbraw/zinc/98/14/36/675981436.db2.gz AJTXAIHHHHNLFI-DOTOQJQBSA-N 2 2 372.535 0.372 10 0 FCAELP COCCC[N@@H+](C[C@H](C[NH3+])Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000903905187 675981437 /nfs/dbraw/zinc/98/14/37/675981437.db2.gz AJTXAIHHHHNLFI-DOTOQJQBSA-N 2 2 372.535 0.372 10 0 FCAELP CN(CC(F)(F)F)C(=O)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549838 672136000 /nfs/dbraw/zinc/13/60/00/672136000.db2.gz JUUNHBYMZHBSAA-NEPJUHHUSA-N 2 2 364.368 0.264 10 0 FCAELP CC(C)[N@H+]1C[C@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000120305769 672218290 /nfs/dbraw/zinc/21/82/90/672218290.db2.gz LQVGPNQNOJUTFQ-HOCLYGCPSA-N 2 2 374.551 0.523 10 0 FCAELP CC(C)[N@@H+]1C[C@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000120305769 672218294 /nfs/dbraw/zinc/21/82/94/672218294.db2.gz LQVGPNQNOJUTFQ-HOCLYGCPSA-N 2 2 374.551 0.523 10 0 FCAELP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CC[NH+](CCc2cnccn2)CC1 ZINC000865259470 672234947 /nfs/dbraw/zinc/23/49/47/672234947.db2.gz IKLMNBSJHSVFRJ-QGZVFWFLSA-N 2 2 362.547 0.996 10 0 FCAELP CC[N@H+]1CCC[C@@H]1CNC(=S)N1CC[NH+](CCc2cnccn2)CC1 ZINC000865259470 672234951 /nfs/dbraw/zinc/23/49/51/672234951.db2.gz IKLMNBSJHSVFRJ-QGZVFWFLSA-N 2 2 362.547 0.996 10 0 FCAELP Cn1cc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(Br)n1 ZINC000866711418 672291190 /nfs/dbraw/zinc/29/11/90/672291190.db2.gz KFYRENRYKFZHSF-UTUOFQBUSA-N 2 2 370.251 0.550 10 0 FCAELP Cn1cc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(Br)n1 ZINC000866711418 672291194 /nfs/dbraw/zinc/29/11/94/672291194.db2.gz KFYRENRYKFZHSF-UTUOFQBUSA-N 2 2 370.251 0.550 10 0 FCAELP CCOC(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)CC1 ZINC000866717559 672292279 /nfs/dbraw/zinc/29/22/79/672292279.db2.gz IKDFUOVECJLJSN-ZBFHGGJFSA-N 2 2 352.479 0.797 10 0 FCAELP CCOC(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)CC1 ZINC000866717559 672292284 /nfs/dbraw/zinc/29/22/84/672292284.db2.gz IKDFUOVECJLJSN-ZBFHGGJFSA-N 2 2 352.479 0.797 10 0 FCAELP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000867537348 672333551 /nfs/dbraw/zinc/33/35/51/672333551.db2.gz HWNQTLBOHFUJIP-OLZOCXBDSA-N 2 2 351.451 0.769 10 0 FCAELP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)CC[C@@H]21 ZINC000868129732 672386636 /nfs/dbraw/zinc/38/66/36/672386636.db2.gz CISHFAWMWGFCEL-SOLBZPMBSA-N 2 2 368.547 0.930 10 0 FCAELP C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)CC[C@@H]21 ZINC000868129732 672386638 /nfs/dbraw/zinc/38/66/38/672386638.db2.gz CISHFAWMWGFCEL-SOLBZPMBSA-N 2 2 368.547 0.930 10 0 FCAELP CC[NH+](CC)CCSCC(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870068090 672466128 /nfs/dbraw/zinc/46/61/28/672466128.db2.gz RJEGWTBHAGHHOE-INIZCTEOSA-N 2 2 359.536 0.621 10 0 FCAELP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872151638 672595184 /nfs/dbraw/zinc/59/51/84/672595184.db2.gz WXKITZBTFNXDSW-NOOOWODRSA-N 2 2 350.385 0.168 10 0 FCAELP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872151638 672595190 /nfs/dbraw/zinc/59/51/90/672595190.db2.gz WXKITZBTFNXDSW-NOOOWODRSA-N 2 2 350.385 0.168 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)n1 ZINC000924786551 673764357 /nfs/dbraw/zinc/76/43/57/673764357.db2.gz GNXBNYYIUIBGEX-LBPRGKRZSA-N 2 2 355.508 0.849 10 0 FCAELP C[NH+](C)Cc1csc(CNC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)n1 ZINC000924786551 673764358 /nfs/dbraw/zinc/76/43/58/673764358.db2.gz GNXBNYYIUIBGEX-LBPRGKRZSA-N 2 2 355.508 0.849 10 0 FCAELP CC1(C)CN(C(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)CC[N@@H+]1CCO ZINC000925163085 673780045 /nfs/dbraw/zinc/78/00/45/673780045.db2.gz ZVNGILYBNIYUCQ-CABCVRRESA-N 2 2 356.536 0.664 10 0 FCAELP CC1(C)CN(C(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)CC[N@H+]1CCO ZINC000925163085 673780048 /nfs/dbraw/zinc/78/00/48/673780048.db2.gz ZVNGILYBNIYUCQ-CABCVRRESA-N 2 2 356.536 0.664 10 0 FCAELP CC1(C)CN(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)CC[NH+]1CCO ZINC000925163085 673780050 /nfs/dbraw/zinc/78/00/50/673780050.db2.gz ZVNGILYBNIYUCQ-CABCVRRESA-N 2 2 356.536 0.664 10 0 FCAELP CC1(C)CN(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)CC[NH+]1CCO ZINC000925163085 673780053 /nfs/dbraw/zinc/78/00/53/673780053.db2.gz ZVNGILYBNIYUCQ-CABCVRRESA-N 2 2 356.536 0.664 10 0 FCAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000925179091 673782667 /nfs/dbraw/zinc/78/26/67/673782667.db2.gz RSPIGQNHPXVNCY-HZPDHXFCSA-N 3 2 357.568 0.749 10 0 FCAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000925179091 673782670 /nfs/dbraw/zinc/78/26/70/673782670.db2.gz RSPIGQNHPXVNCY-HZPDHXFCSA-N 3 2 357.568 0.749 10 0 FCAELP C[NH+](C)CCC[NH+](C)CCNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925179091 673782674 /nfs/dbraw/zinc/78/26/74/673782674.db2.gz RSPIGQNHPXVNCY-HZPDHXFCSA-N 3 2 357.568 0.749 10 0 FCAELP C[NH+](C)CCC[NH+](C)CCNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000925179091 673782677 /nfs/dbraw/zinc/78/26/77/673782677.db2.gz RSPIGQNHPXVNCY-HZPDHXFCSA-N 3 2 357.568 0.749 10 0 FCAELP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000925614480 673797320 /nfs/dbraw/zinc/79/73/20/673797320.db2.gz YRZNHEAJBQRBTG-NVXWUHKLSA-N 2 2 354.495 0.650 10 0 FCAELP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000925614480 673797324 /nfs/dbraw/zinc/79/73/24/673797324.db2.gz YRZNHEAJBQRBTG-NVXWUHKLSA-N 2 2 354.495 0.650 10 0 FCAELP C[NH2+]C[C@@H]1CCCCN1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000926050959 673809756 /nfs/dbraw/zinc/80/97/56/673809756.db2.gz QVSGVRDNMDYVKB-INIZCTEOSA-N 2 2 350.467 0.821 10 0 FCAELP C[NH+]1CC[C@@H]1CNC(=O)c1cscc1CC(=O)NC[C@@H]1CC[N@H+]1C ZINC000928556103 673919332 /nfs/dbraw/zinc/91/93/32/673919332.db2.gz RRCNVINLEVNMHQ-UONOGXRCSA-N 2 2 350.488 0.545 10 0 FCAELP C[NH+]1CC[C@@H]1CNC(=O)c1cscc1CC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928556103 673919334 /nfs/dbraw/zinc/91/93/34/673919334.db2.gz RRCNVINLEVNMHQ-UONOGXRCSA-N 2 2 350.488 0.545 10 0 FCAELP C[NH+]1CC[C@H]1CNC(=O)Cc1cscc1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928556103 673919336 /nfs/dbraw/zinc/91/93/36/673919336.db2.gz RRCNVINLEVNMHQ-UONOGXRCSA-N 2 2 350.488 0.545 10 0 FCAELP C[NH+]1CC[C@H]1CNC(=O)Cc1cscc1C(=O)NC[C@H]1CC[N@H+]1C ZINC000928556103 673919338 /nfs/dbraw/zinc/91/93/38/673919338.db2.gz RRCNVINLEVNMHQ-UONOGXRCSA-N 2 2 350.488 0.545 10 0 FCAELP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000929865159 673980958 /nfs/dbraw/zinc/98/09/58/673980958.db2.gz KUQYCGWDNKUTLQ-KGLIPLIRSA-N 2 2 351.476 0.004 10 0 FCAELP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000929865159 673980959 /nfs/dbraw/zinc/98/09/59/673980959.db2.gz KUQYCGWDNKUTLQ-KGLIPLIRSA-N 2 2 351.476 0.004 10 0 FCAELP CCOCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001266474924 1168481593 /nfs/dbraw/zinc/48/15/93/1168481593.db2.gz YUXPBOCYQIAHSC-KSZLIROESA-N 2 2 369.506 0.483 10 0 FCAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CC(=O)Nc1ccc(O)cc1 ZINC001266972935 1171182247 /nfs/dbraw/zinc/18/22/47/1171182247.db2.gz FWALIDLEXAVHJS-APHBMKBZSA-N 2 2 371.441 0.962 10 0 FCAELP O=C(NC/C=C/C[NH2+]C[C@@H]1CCCS(=O)(=O)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001483023199 1192718254 /nfs/dbraw/zinc/71/82/54/1192718254.db2.gz WJKQRNFVYWHTKQ-VRPMXSRISA-N 2 2 366.487 0.600 10 0 FCAELP O=C(NC/C=C/C[NH2+]C[C@@H]1CCCS(=O)(=O)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001483023199 1192718261 /nfs/dbraw/zinc/71/82/61/1192718261.db2.gz WJKQRNFVYWHTKQ-VRPMXSRISA-N 2 2 366.487 0.600 10 0 FCAELP COCC[NH+](CCOC)C1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000898251068 1192864006 /nfs/dbraw/zinc/86/40/06/1192864006.db2.gz IRSWUYFUDCXQCJ-UHFFFAOYSA-N 2 2 366.462 0.690 10 0 FCAELP CCC[N@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001719686999 1179379184 /nfs/dbraw/zinc/37/91/84/1179379184.db2.gz CRUZPNZFQCRLSO-APWZRJJASA-N 2 2 361.490 0.922 10 0 FCAELP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001719686999 1179379193 /nfs/dbraw/zinc/37/91/93/1179379193.db2.gz CRUZPNZFQCRLSO-APWZRJJASA-N 2 2 361.490 0.922 10 0 FCAELP Cc1c[nH+]cn1CC(=O)N1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001719723736 1179786445 /nfs/dbraw/zinc/78/64/45/1179786445.db2.gz MWBZODVOAUCDDG-UKRRQHHQSA-N 2 2 358.446 0.378 10 0 FCAELP C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@H]1n1cc[nH+]c1 ZINC000128322470 1180095559 /nfs/dbraw/zinc/09/55/59/1180095559.db2.gz OLEWLBNXVPHXRL-GDBMZVCRSA-N 2 2 373.461 0.689 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCn2cncn2)C1 ZINC001267591027 1181993016 /nfs/dbraw/zinc/99/30/16/1181993016.db2.gz YHLIRTWUMIUCOI-ARFHVFGLSA-N 2 2 357.462 0.596 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCn2cncn2)C1 ZINC001267591027 1181993018 /nfs/dbraw/zinc/99/30/18/1181993018.db2.gz YHLIRTWUMIUCOI-ARFHVFGLSA-N 2 2 357.462 0.596 10 0 FCAELP C[C@@H]1CN(C)C(=O)CN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000782970120 1182370501 /nfs/dbraw/zinc/37/05/01/1182370501.db2.gz CNEAKXJCGTUSEI-MRXNPFEDSA-N 2 2 365.522 0.809 10 0 FCAELP O=C(CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)NCC[NH+]1CCCCC1 ZINC000909322404 1182731711 /nfs/dbraw/zinc/73/17/11/1182731711.db2.gz XCRBAONUFBVATP-UHFFFAOYSA-N 2 2 356.430 0.599 10 0 FCAELP Cc1nocc1C[NH2+]CCN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001481262385 1183016176 /nfs/dbraw/zinc/01/61/76/1183016176.db2.gz YBTFYPBEKIQFFX-SJORKVTESA-N 2 2 366.462 0.411 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC2C[NH+](C[C@@H](O)COC3CCOCC3)C2)CC[N@@H+]1C ZINC001481559787 1186354801 /nfs/dbraw/zinc/35/48/01/1186354801.db2.gz QRACGAIBGAJFIO-BPQIPLTHSA-N 2 2 369.506 0.074 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)NC2C[NH+](C[C@@H](O)COC3CCOCC3)C2)CC[N@H+]1C ZINC001481559787 1186354810 /nfs/dbraw/zinc/35/48/10/1186354810.db2.gz QRACGAIBGAJFIO-BPQIPLTHSA-N 2 2 369.506 0.074 10 0 FCAELP CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CC(=O)N(C)C1CC1 ZINC001268218712 1186636514 /nfs/dbraw/zinc/63/65/14/1186636514.db2.gz JCHJYHKPVXUNDB-OAGGEKHMSA-N 2 2 361.490 0.875 10 0 FCAELP O=C(C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)N1CCC1 ZINC001481976219 1187561761 /nfs/dbraw/zinc/56/17/61/1187561761.db2.gz GEVLZYJBWFUODE-ARFHVFGLSA-N 2 2 359.474 0.964 10 0 FCAELP O=C(C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)N1CCC1 ZINC001481976219 1187561763 /nfs/dbraw/zinc/56/17/63/1187561763.db2.gz GEVLZYJBWFUODE-ARFHVFGLSA-N 2 2 359.474 0.964 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C/C[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001268592567 1187652759 /nfs/dbraw/zinc/65/27/59/1187652759.db2.gz HMDAVOCATHSVFO-WLJXVMBLSA-N 2 2 371.485 0.939 10 0 FCAELP C[C@@H](C[NH2+]CC(=O)NCc1ccco1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001268704823 1187763462 /nfs/dbraw/zinc/76/34/62/1187763462.db2.gz UEYKXBHXCRJVOJ-NWANDNLSSA-N 2 2 359.430 0.527 10 0 FCAELP O=C(N[C@H](C[NH2+]CCN1C(=O)CCC1=O)C1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001269079754 1187813545 /nfs/dbraw/zinc/81/35/45/1187813545.db2.gz RLSZLCSHYVTKKO-MGPQQGTHSA-N 2 2 359.430 0.147 10 0 FCAELP O=C(N[C@H](C[NH2+]CCN1C(=O)CCC1=O)C1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001269079754 1187813547 /nfs/dbraw/zinc/81/35/47/1187813547.db2.gz RLSZLCSHYVTKKO-MGPQQGTHSA-N 2 2 359.430 0.147 10 0 FCAELP CC(C)CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001269493803 1187852534 /nfs/dbraw/zinc/85/25/34/1187852534.db2.gz CSIZDTUBLBMFDY-RBSFLKMASA-N 2 2 361.490 0.923 10 0 FCAELP COCCc1noc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001482282820 1188119256 /nfs/dbraw/zinc/11/92/56/1188119256.db2.gz GNHUMNJKOROIOU-MGPQQGTHSA-N 2 2 353.467 0.535 10 0 FCAELP COCCc1noc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001482282820 1188119262 /nfs/dbraw/zinc/11/92/62/1188119262.db2.gz GNHUMNJKOROIOU-MGPQQGTHSA-N 2 2 353.467 0.535 10 0 FCAELP CC[NH+]1CCC(NC(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000550034987 1188214101 /nfs/dbraw/zinc/21/41/01/1188214101.db2.gz PRFGZNXORCUTKK-UHFFFAOYSA-N 2 2 359.474 0.767 10 0 FCAELP Cc1ccncc1C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001271193102 1190351905 /nfs/dbraw/zinc/35/19/05/1190351905.db2.gz QXIDLVWPQOMGRP-HLIPFELVSA-N 2 2 369.469 0.980 10 0 FCAELP Cc1ccncc1C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001271193102 1190351914 /nfs/dbraw/zinc/35/19/14/1190351914.db2.gz QXIDLVWPQOMGRP-HLIPFELVSA-N 2 2 369.469 0.980 10 0 FCAELP O=C(C1C[NH+](C2CCOCC2)C1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000896980676 1190666734 /nfs/dbraw/zinc/66/67/34/1190666734.db2.gz ZYMXFXQBTZYNAN-GOSISDBHSA-N 2 2 367.490 0.047 10 0 FCAELP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000897439942 1191189041 /nfs/dbraw/zinc/18/90/41/1191189041.db2.gz JZONXWAJEKLSAR-HNNXBMFYSA-N 2 2 356.430 0.402 10 0 FCAELP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000897439942 1191189043 /nfs/dbraw/zinc/18/90/43/1191189043.db2.gz JZONXWAJEKLSAR-HNNXBMFYSA-N 2 2 356.430 0.402 10 0 FCAELP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000550903329 1193819461 /nfs/dbraw/zinc/81/94/61/1193819461.db2.gz VWHSIKBNPRUTKU-MRXNPFEDSA-N 2 2 373.501 0.967 10 0 FCAELP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000550903329 1193819462 /nfs/dbraw/zinc/81/94/62/1193819462.db2.gz VWHSIKBNPRUTKU-MRXNPFEDSA-N 2 2 373.501 0.967 10 0 FCAELP Cc1nc(N2CCN(C(=O)C(=O)NCCC3CC[NH+](C)CC3)CC2)cc[nH+]1 ZINC000552631899 1193944698 /nfs/dbraw/zinc/94/46/98/1193944698.db2.gz ZKJINTIFMWNIAG-UHFFFAOYSA-N 2 2 374.489 0.282 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC000553040700 1193967201 /nfs/dbraw/zinc/96/72/01/1193967201.db2.gz LUYUSWGFZNCJQS-DOTOQJQBSA-N 2 2 366.506 0.299 10 0 FCAELP C[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)[N@@H+](C)C1CC1 ZINC000553040700 1193967205 /nfs/dbraw/zinc/96/72/05/1193967205.db2.gz LUYUSWGFZNCJQS-DOTOQJQBSA-N 2 2 366.506 0.299 10 0 FCAELP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1 ZINC000553114862 1193972648 /nfs/dbraw/zinc/97/26/48/1193972648.db2.gz WPWAQJRVOQSHLW-MSOLQXFVSA-N 2 2 367.538 0.519 10 0 FCAELP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1 ZINC000553114862 1193972651 /nfs/dbraw/zinc/97/26/51/1193972651.db2.gz WPWAQJRVOQSHLW-MSOLQXFVSA-N 2 2 367.538 0.519 10 0 FCAELP C[C@@H]1COCC[NH+]1CCNC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000553114862 1193972652 /nfs/dbraw/zinc/97/26/52/1193972652.db2.gz WPWAQJRVOQSHLW-MSOLQXFVSA-N 2 2 367.538 0.519 10 0 FCAELP C[C@@H]1COCC[NH+]1CCNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000553114862 1193972655 /nfs/dbraw/zinc/97/26/55/1193972655.db2.gz WPWAQJRVOQSHLW-MSOLQXFVSA-N 2 2 367.538 0.519 10 0 FCAELP C[NH+]1CCN(C(=O)c2ccc(-c3noc([C@H]4[C@@H]5CC[NH2+]C[C@@H]54)n3)cn2)CC1 ZINC000904103645 1195524042 /nfs/dbraw/zinc/52/40/42/1195524042.db2.gz BTSXFWKIKHERPY-YCPHGPKFSA-N 2 2 368.441 0.842 10 0 FCAELP Cn1cc[nH+]c1N1CCN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)CC1 ZINC000907021052 1195676990 /nfs/dbraw/zinc/67/69/90/1195676990.db2.gz SZBKGFOEJZBKGU-UHFFFAOYSA-N 2 2 369.473 0.529 10 0 FCAELP CN(C(=O)CCNC(=O)CO)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000907124780 1195680160 /nfs/dbraw/zinc/68/01/60/1195680160.db2.gz SIASFONQIDSTBI-IRXDYDNUSA-N 2 2 368.522 0.281 10 0 FCAELP CN(C(=O)CCNC(=O)CO)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000907124780 1195680165 /nfs/dbraw/zinc/68/01/65/1195680165.db2.gz SIASFONQIDSTBI-IRXDYDNUSA-N 2 2 368.522 0.281 10 0 FCAELP Cn1cc(CN(CCn2cc[nH+]c2)C(=O)C[C@@]2(O)CCC[N@H+](C)C2)cn1 ZINC000908066524 1195722609 /nfs/dbraw/zinc/72/26/09/1195722609.db2.gz GFHVFOWVAGOOES-SFHVURJKSA-N 2 2 360.462 0.492 10 0 FCAELP Cn1cc(CN(CCn2cc[nH+]c2)C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)cn1 ZINC000908066524 1195722615 /nfs/dbraw/zinc/72/26/15/1195722615.db2.gz GFHVFOWVAGOOES-SFHVURJKSA-N 2 2 360.462 0.492 10 0 FCAELP Cc1ccc(C[NH+]2CCO[C@H](CNC(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)C2)cc1 ZINC000913756829 1197125416 /nfs/dbraw/zinc/12/54/16/1197125416.db2.gz GJBMKWXHKJMNGR-QWFCFKBJSA-N 2 2 361.486 0.767 10 0 FCAELP Cc1ccc(C[NH+]2CCO[C@H](CNC(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)C2)cc1 ZINC000913756829 1197125420 /nfs/dbraw/zinc/12/54/20/1197125420.db2.gz GJBMKWXHKJMNGR-QWFCFKBJSA-N 2 2 361.486 0.767 10 0 FCAELP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@]3(C)C[C@@H](O)C[NH+]3C)C2)cc1 ZINC000913756829 1197125421 /nfs/dbraw/zinc/12/54/21/1197125421.db2.gz GJBMKWXHKJMNGR-QWFCFKBJSA-N 2 2 361.486 0.767 10 0 FCAELP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@]3(C)C[C@@H](O)C[NH+]3C)C2)cc1 ZINC000913756829 1197125424 /nfs/dbraw/zinc/12/54/24/1197125424.db2.gz GJBMKWXHKJMNGR-QWFCFKBJSA-N 2 2 361.486 0.767 10 0 FCAELP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000787123514 1200869497 /nfs/dbraw/zinc/86/94/97/1200869497.db2.gz LKCLQJSWPKXXNC-QGZVFWFLSA-N 2 2 364.490 0.053 10 0 FCAELP CCON(C)C(=O)CNC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000845559418 1204528598 /nfs/dbraw/zinc/52/85/98/1204528598.db2.gz OSPOGPOLTIZVQJ-UHFFFAOYSA-N 2 2 369.510 0.598 10 0 FCAELP CCON(C)C(=O)CNC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000845559418 1204528606 /nfs/dbraw/zinc/52/86/06/1204528606.db2.gz OSPOGPOLTIZVQJ-UHFFFAOYSA-N 2 2 369.510 0.598 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1CC(=O)NC(C)C ZINC001489135920 1208639719 /nfs/dbraw/zinc/63/97/19/1208639719.db2.gz FFSJIGCNJPWKHX-JKSUJKDBSA-N 2 2 354.495 0.202 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1CC(=O)NC(C)C ZINC001489135920 1208639724 /nfs/dbraw/zinc/63/97/24/1208639724.db2.gz FFSJIGCNJPWKHX-JKSUJKDBSA-N 2 2 354.495 0.202 10 0 FCAELP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001489209602 1208674936 /nfs/dbraw/zinc/67/49/36/1208674936.db2.gz WFRKPDHRADWHTM-SQNIBIBYSA-N 2 2 364.490 0.697 10 0 FCAELP CC(C)COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001489209602 1208674942 /nfs/dbraw/zinc/67/49/42/1208674942.db2.gz WFRKPDHRADWHTM-SQNIBIBYSA-N 2 2 364.490 0.697 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1CCNC(=O)NC(C)(C)C ZINC001489257269 1208697115 /nfs/dbraw/zinc/69/71/15/1208697115.db2.gz OYIILUKISCBSLJ-ILXRZTDVSA-N 2 2 353.511 0.757 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1CCNC(=O)NC(C)(C)C ZINC001489257269 1208697118 /nfs/dbraw/zinc/69/71/18/1208697118.db2.gz OYIILUKISCBSLJ-ILXRZTDVSA-N 2 2 353.511 0.757 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1CCNC(=O)NC(C)(C)C ZINC001489257269 1208697121 /nfs/dbraw/zinc/69/71/21/1208697121.db2.gz OYIILUKISCBSLJ-ILXRZTDVSA-N 2 2 353.511 0.757 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1CCNC(=O)NC(C)(C)C ZINC001489257269 1208697125 /nfs/dbraw/zinc/69/71/25/1208697125.db2.gz OYIILUKISCBSLJ-ILXRZTDVSA-N 2 2 353.511 0.757 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1CCNC(=O)NC(C)(C)C ZINC001489257271 1208697305 /nfs/dbraw/zinc/69/73/05/1208697305.db2.gz OYIILUKISCBSLJ-QLFBSQMISA-N 2 2 353.511 0.757 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1CCNC(=O)NC(C)(C)C ZINC001489257271 1208697308 /nfs/dbraw/zinc/69/73/08/1208697308.db2.gz OYIILUKISCBSLJ-QLFBSQMISA-N 2 2 353.511 0.757 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1CCNC(=O)NC(C)(C)C ZINC001489257271 1208697313 /nfs/dbraw/zinc/69/73/13/1208697313.db2.gz OYIILUKISCBSLJ-QLFBSQMISA-N 2 2 353.511 0.757 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1CCNC(=O)NC(C)(C)C ZINC001489257271 1208697317 /nfs/dbraw/zinc/69/73/17/1208697317.db2.gz OYIILUKISCBSLJ-QLFBSQMISA-N 2 2 353.511 0.757 10 0 FCAELP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001489478111 1208857327 /nfs/dbraw/zinc/85/73/27/1208857327.db2.gz WFWLKOCHGWTMIA-XNRPHZJLSA-N 2 2 367.469 0.904 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001489671982 1209081802 /nfs/dbraw/zinc/08/18/02/1209081802.db2.gz FMLZGZLQVPQRDD-YFHUEUNASA-N 2 2 373.501 0.925 10 0 FCAELP 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FCAELP C[NH+](CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863322914 1209938685 /nfs/dbraw/zinc/93/86/85/1209938685.db2.gz UKNRRNSLMYDOPK-WNKDZCFJSA-N 2 2 370.453 0.257 10 0 FCAELP C[C@@H](c1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1)N1CC[NH2+]CC1=O ZINC000863665647 1209947368 /nfs/dbraw/zinc/94/73/68/1209947368.db2.gz KXEWAGQYISSZSI-ZDUSSCGKSA-N 2 2 371.445 0.376 10 0 FCAELP COc1c[nH+]ccc1N1CCN(CN2C[C@H](c3c[nH+]cn3C)CC2=O)CC1 ZINC000794702451 1209961409 /nfs/dbraw/zinc/96/14/09/1209961409.db2.gz VVFQTVHKTDVRJP-OAHLLOKOSA-N 2 2 370.457 0.919 10 0 FCAELP C[NH+]1CCC([NH+]2CCC(NC(=O)CN3CCCCC(=O)C3=O)CC2)CC1 ZINC000865063889 1209970187 /nfs/dbraw/zinc/97/01/87/1209970187.db2.gz JPDPWZGKNWEHFH-UHFFFAOYSA-N 2 2 364.490 0.243 10 0 FCAELP O=C(C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)Nc1ccc2c(c1)OCO2 ZINC000866710311 1210003498 /nfs/dbraw/zinc/00/34/98/1210003498.db2.gz XXBWNZRVKPJUNV-ZENOOKHLSA-N 2 2 374.397 0.221 10 0 FCAELP 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O=C(/C=C/C[NH+]1CCOCC1)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000869241522 1210087283 /nfs/dbraw/zinc/08/72/83/1210087283.db2.gz HQIYIPKOGHTIAL-SNDJDQCESA-N 2 2 359.470 0.758 10 0 FCAELP O=C(/C=C/C[NH+]1CCOCC1)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000869241522 1210087290 /nfs/dbraw/zinc/08/72/90/1210087290.db2.gz HQIYIPKOGHTIAL-SNDJDQCESA-N 2 2 359.470 0.758 10 0 FCAELP C[NH+]1CCN(C(=O)c2ccc(-c3noc([C@@]4(C)C[NH2+]CCO4)n3)cn2)CC1 ZINC000872177799 1210173957 /nfs/dbraw/zinc/17/39/57/1210173957.db2.gz OCBFNOZXWDUMLJ-GOSISDBHSA-N 2 2 372.429 0.354 10 0 FCAELP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000872193505 1210176929 /nfs/dbraw/zinc/17/69/29/1210176929.db2.gz YPISIWWSVATFJR-GRYCIOLGSA-N 2 2 373.379 0.332 10 0 FCAELP O=C1NCC2(CCOCC2)[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000925134488 1211491246 /nfs/dbraw/zinc/49/12/46/1211491246.db2.gz SEWGDDVXHZXUHG-PXNSSMCTSA-N 2 2 359.470 0.508 10 0 FCAELP O=C1NCC2(CCOCC2)[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000925134488 1211491248 /nfs/dbraw/zinc/49/12/48/1211491248.db2.gz SEWGDDVXHZXUHG-PXNSSMCTSA-N 2 2 359.470 0.508 10 0 FCAELP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000927819449 1211583263 /nfs/dbraw/zinc/58/32/63/1211583263.db2.gz KGNRQGDAFASNPM-CQSZACIVSA-N 2 2 357.414 0.548 10 0 FCAELP Cc1cn2cc(NC(=O)C(=O)N[C@H]3C[NH2+]CC4(CCOCC4)C3)ccc2[nH+]1 ZINC000927822276 1211583573 /nfs/dbraw/zinc/58/35/73/1211583573.db2.gz RQJINHAOFKTZCD-OAHLLOKOSA-N 2 2 371.441 0.856 10 0 FCAELP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3C[C@H]([NH3+])C(C)(C)C3)c2)CC1 ZINC000927854863 1211586044 /nfs/dbraw/zinc/58/60/44/1211586044.db2.gz NTNMQUDEWYDPSG-KRWDZBQOSA-N 2 2 373.501 0.568 10 0 FCAELP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000929513751 1211643928 /nfs/dbraw/zinc/64/39/28/1211643928.db2.gz NJONJJSAOSGZCL-UHFFFAOYSA-N 2 2 363.506 0.924 10 0 FCAELP C[NH+]1CCC2(CCN2C(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000929684900 1211654597 /nfs/dbraw/zinc/65/45/97/1211654597.db2.gz ARCCHFBYSVFRDM-UHFFFAOYSA-N 2 2 356.470 0.815 10 0 FCAELP CCO[C@H](CNC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1)C[NH+](C)C ZINC000929686697 1211654950 /nfs/dbraw/zinc/65/49/50/1211654950.db2.gz OYUDKSKNKBKLLC-QGZVFWFLSA-N 2 2 362.474 0.201 10 0 FCAELP C[C@@H]1C[N@H+](C[C@H]2CN=C(c3cnn(C)c3)O2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000930137409 1211690003 /nfs/dbraw/zinc/69/00/03/1211690003.db2.gz SOUAMXCPKHTRQE-NXHRZFHOSA-N 2 2 360.506 0.523 10 0 FCAELP C[C@@H]1C[N@@H+](C[C@H]2CN=C(c3cnn(C)c3)O2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000930137409 1211690005 /nfs/dbraw/zinc/69/00/05/1211690005.db2.gz SOUAMXCPKHTRQE-NXHRZFHOSA-N 2 2 360.506 0.523 10 0 FCAELP Cc1cc(CNC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cc(C)[nH+]1 ZINC000930872780 1211726032 /nfs/dbraw/zinc/72/60/32/1211726032.db2.gz SHPDHVBZYVUGFG-DLBZAZTESA-N 2 2 360.458 0.372 10 0 FCAELP Cc1cc(CNC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cc(C)[nH+]1 ZINC000930872780 1211726034 /nfs/dbraw/zinc/72/60/34/1211726034.db2.gz SHPDHVBZYVUGFG-DLBZAZTESA-N 2 2 360.458 0.372 10 0 FCAELP C[NH+]1Cc2ccccc2[C@H]1CNC(=O)C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000931149924 1211742775 /nfs/dbraw/zinc/74/27/75/1211742775.db2.gz OUPIFWXIOILZGJ-MDYRTPRTSA-N 2 2 356.470 0.699 10 0 FCAELP C[NH+]1Cc2ccccc2[C@H]1CNC(=O)C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000931149924 1211742780 /nfs/dbraw/zinc/74/27/80/1211742780.db2.gz OUPIFWXIOILZGJ-MDYRTPRTSA-N 2 2 356.470 0.699 10 0 FCAELP C[NH+]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3c4ccccc4C[N@H+]3C)C[C@]2(C)C1 ZINC000931149924 1211742783 /nfs/dbraw/zinc/74/27/83/1211742783.db2.gz OUPIFWXIOILZGJ-MDYRTPRTSA-N 2 2 356.470 0.699 10 0 FCAELP C[NH+]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3c4ccccc4C[N@@H+]3C)C[C@]2(C)C1 ZINC000931149924 1211742789 /nfs/dbraw/zinc/74/27/89/1211742789.db2.gz OUPIFWXIOILZGJ-MDYRTPRTSA-N 2 2 356.470 0.699 10 0 FCAELP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900744022 1218033254 /nfs/dbraw/zinc/03/32/54/1218033254.db2.gz YPUFNHKHWYLGFA-IKGGRYGDSA-N 2 2 364.490 0.053 10 0 FCAELP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000900744022 1218033260 /nfs/dbraw/zinc/03/32/60/1218033260.db2.gz YPUFNHKHWYLGFA-IKGGRYGDSA-N 2 2 364.490 0.053 10 0 FCAELP [NH3+][C@H]1CN(C(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)CC[C@@H]1C(F)(F)F ZINC000903732641 1218509598 /nfs/dbraw/zinc/50/95/98/1218509598.db2.gz UHRQJTDAXADDSX-STQMWFEESA-N 2 2 373.379 0.785 10 0 FCAELP Cc1c(C[C@@H](C[NH3+])CN2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)cnn1C ZINC000903879300 1218558868 /nfs/dbraw/zinc/55/88/68/1218558868.db2.gz XSYLAOLTCUIZJQ-CVEARBPZSA-N 2 2 362.522 0.131 10 0 FCAELP C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@@H]1F ZINC001117141076 1221478643 /nfs/dbraw/zinc/47/86/43/1221478643.db2.gz PEFYDGVGZNXFCD-PBHICJAKSA-N 2 2 368.497 0.868 10 0 FCAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC001117365121 1221533340 /nfs/dbraw/zinc/53/33/40/1221533340.db2.gz JHBDJBWMWHRIEO-UHOSZYNNSA-N 2 2 370.497 0.943 10 0 FCAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC001117365121 1221533348 /nfs/dbraw/zinc/53/33/48/1221533348.db2.gz JHBDJBWMWHRIEO-UHOSZYNNSA-N 2 2 370.497 0.943 10 0 FCAELP C[C@@H](C(=O)Nc1ncccn1)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001118898509 1221842252 /nfs/dbraw/zinc/84/22/52/1221842252.db2.gz XFGITCDUJUZBRR-YUTCNCBUSA-N 2 2 360.418 0.061 10 0 FCAELP C[NH+](C)[C@@]1(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)COc2ccccc2C1 ZINC001140509215 1222597398 /nfs/dbraw/zinc/59/73/98/1222597398.db2.gz BAZCAFAJHMSLIN-YLJYHZDGSA-N 2 2 361.486 0.885 10 0 FCAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)cn1 ZINC000837761810 1222656991 /nfs/dbraw/zinc/65/69/91/1222656991.db2.gz GXFWCKOUADRSNC-AWEZNQCLSA-N 2 2 358.446 0.784 10 0 FCAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[N@H+](CCO)C[C@@H]2C)cn1 ZINC000837761810 1222656992 /nfs/dbraw/zinc/65/69/92/1222656992.db2.gz GXFWCKOUADRSNC-AWEZNQCLSA-N 2 2 358.446 0.784 10 0 FCAELP C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1C[NH+](CCNC(=O)C2CC2)C1 ZINC001276434307 1223298163 /nfs/dbraw/zinc/29/81/63/1223298163.db2.gz ZONPUAMRJDRXMK-DAXOMENPSA-N 2 2 359.474 0.486 10 0 FCAELP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCC(C)(C)[NH+]2CCOCC2)cn1 ZINC000849482630 1245396328 /nfs/dbraw/zinc/39/63/28/1245396328.db2.gz SALJVTOAJQBYHJ-IRXDYDNUSA-N 2 2 363.506 0.682 10 0 FCAELP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCC(C)(C)[NH+]2CCOCC2)cn1 ZINC000849482630 1245396333 /nfs/dbraw/zinc/39/63/33/1245396333.db2.gz SALJVTOAJQBYHJ-IRXDYDNUSA-N 2 2 363.506 0.682 10 0 FCAELP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCC[NH+]2CCOCC2(C)C)cn1 ZINC000849521174 1245398185 /nfs/dbraw/zinc/39/81/85/1245398185.db2.gz QSLMYBCCDCKVSO-DLBZAZTESA-N 2 2 363.506 0.682 10 0 FCAELP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCC[NH+]2CCOCC2(C)C)cn1 ZINC000849521174 1245398193 /nfs/dbraw/zinc/39/81/93/1245398193.db2.gz QSLMYBCCDCKVSO-DLBZAZTESA-N 2 2 363.506 0.682 10 0 FCAELP Cn1cc([C@H]2C[NH+](C)CC[C@@H]2C(=O)NCC[N@@H+]2CCOCC2(C)C)cn1 ZINC000849521174 1245398199 /nfs/dbraw/zinc/39/81/99/1245398199.db2.gz QSLMYBCCDCKVSO-DLBZAZTESA-N 2 2 363.506 0.682 10 0 FCAELP Cn1cc([C@H]2C[NH+](C)CC[C@@H]2C(=O)NCC[N@H+]2CCOCC2(C)C)cn1 ZINC000849521174 1245398206 /nfs/dbraw/zinc/39/82/06/1245398206.db2.gz QSLMYBCCDCKVSO-DLBZAZTESA-N 2 2 363.506 0.682 10 0 FCAELP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCC[NH+]2CCOC(C)(C)C2)cn1 ZINC000849513798 1245398233 /nfs/dbraw/zinc/39/82/33/1245398233.db2.gz DXIJFULAERZFMY-IRXDYDNUSA-N 2 2 363.506 0.682 10 0 FCAELP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCC[NH+]2CCOC(C)(C)C2)cn1 ZINC000849513798 1245398239 /nfs/dbraw/zinc/39/82/39/1245398239.db2.gz DXIJFULAERZFMY-IRXDYDNUSA-N 2 2 363.506 0.682 10 0 FCAELP Cn1cc([C@@H]2C[NH+](C)CC[C@@H]2C(=O)NCC[N@@H+]2CCOC(C)(C)C2)cn1 ZINC000849513798 1245398245 /nfs/dbraw/zinc/39/82/45/1245398245.db2.gz DXIJFULAERZFMY-IRXDYDNUSA-N 2 2 363.506 0.682 10 0 FCAELP Cn1cc([C@@H]2C[NH+](C)CC[C@@H]2C(=O)NCC[N@H+]2CCOC(C)(C)C2)cn1 ZINC000849513798 1245398252 /nfs/dbraw/zinc/39/82/52/1245398252.db2.gz DXIJFULAERZFMY-IRXDYDNUSA-N 2 2 363.506 0.682 10 0 FCAELP Cn1nccc1[C@@H](O)C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000922970463 1245693569 /nfs/dbraw/zinc/69/35/69/1245693569.db2.gz OUPKOFBGFWOMON-IBGZPJMESA-N 2 2 360.458 0.954 10 0 FCAELP [NH3+][C@]1(CO)CCC[N@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000923484336 1245724273 /nfs/dbraw/zinc/72/42/73/1245724273.db2.gz OXTXYZVTWWDOHW-LJQANCHMSA-N 2 2 360.458 0.928 10 0 FCAELP [NH3+][C@]1(CO)CCC[N@@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000923484336 1245724278 /nfs/dbraw/zinc/72/42/78/1245724278.db2.gz OXTXYZVTWWDOHW-LJQANCHMSA-N 2 2 360.458 0.928 10 0 FCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1N=NC(=O)N1C1CC1 ZINC000923869191 1245734706 /nfs/dbraw/zinc/73/47/06/1245734706.db2.gz ZEZPUEKHFVIXOH-UHFFFAOYSA-N 2 2 365.482 0.486 10 0 FCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1N=NC(=O)N1C1CC1 ZINC000923869191 1245734712 /nfs/dbraw/zinc/73/47/12/1245734712.db2.gz ZEZPUEKHFVIXOH-UHFFFAOYSA-N 2 2 365.482 0.486 10 0 FCAELP CCO[C@H]1C[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001328228341 1265508715 /nfs/dbraw/zinc/50/87/15/1265508715.db2.gz LVVHEMHKVLLGIU-XIRDDKMYSA-N 2 2 366.506 0.297 10 0 FCAELP CCO[C@H]1C[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001328228341 1265508723 /nfs/dbraw/zinc/50/87/23/1265508723.db2.gz LVVHEMHKVLLGIU-XIRDDKMYSA-N 2 2 366.506 0.297 10 0 FCAELP COCC[NH2+]C1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1 ZINC001328845475 1265625769 /nfs/dbraw/zinc/62/57/69/1265625769.db2.gz BKKLGKJURUSAEX-UHFFFAOYSA-N 2 2 363.506 0.859 10 0 FCAELP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC001329003913 1265673273 /nfs/dbraw/zinc/67/32/73/1265673273.db2.gz PCNFRJJGWNMHQA-HUUCEWRRSA-N 2 2 359.474 0.602 10 0 FCAELP C[N@H+]1Cc2ccccc2[C@H](NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[NH+]32)C1 ZINC001519250993 1265710579 /nfs/dbraw/zinc/71/05/79/1265710579.db2.gz QMDPHSDTWOVLGU-ILZDJORESA-N 2 2 374.485 0.698 10 0 FCAELP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[NH+]32)C1 ZINC001519250993 1265710582 /nfs/dbraw/zinc/71/05/82/1265710582.db2.gz QMDPHSDTWOVLGU-ILZDJORESA-N 2 2 374.485 0.698 10 0 FCAELP C[NH+]1Cc2ccccc2[C@H](NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)C1 ZINC001519250993 1265710586 /nfs/dbraw/zinc/71/05/86/1265710586.db2.gz QMDPHSDTWOVLGU-ILZDJORESA-N 2 2 374.485 0.698 10 0 FCAELP C[NH+]1Cc2ccccc2[C@H](NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)C1 ZINC001519250993 1265710589 /nfs/dbraw/zinc/71/05/89/1265710589.db2.gz QMDPHSDTWOVLGU-ILZDJORESA-N 2 2 374.485 0.698 10 0 FCAELP C[C@H](CNC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)[NH+]1CCN(C)CC1 ZINC001519686031 1265749754 /nfs/dbraw/zinc/74/97/54/1265749754.db2.gz CTFSVWHMCVMWKB-NVXWUHKLSA-N 2 2 353.511 0.175 10 0 FCAELP C[C@H](CNC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1)[NH+]1CCN(C)CC1 ZINC001519686031 1265749758 /nfs/dbraw/zinc/74/97/58/1265749758.db2.gz CTFSVWHMCVMWKB-NVXWUHKLSA-N 2 2 353.511 0.175 10 0 FCAELP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)C1 ZINC001329563518 1265782665 /nfs/dbraw/zinc/78/26/65/1265782665.db2.gz YENGRJQMNUGLLK-CVEARBPZSA-N 2 2 361.490 0.931 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001520612574 1265948609 /nfs/dbraw/zinc/94/86/09/1265948609.db2.gz NUEGXNNVSYGNTD-PMPSAXMXSA-N 2 2 368.522 0.401 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001520612574 1265948619 /nfs/dbraw/zinc/94/86/19/1265948619.db2.gz NUEGXNNVSYGNTD-PMPSAXMXSA-N 2 2 368.522 0.401 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001520612574 1265948625 /nfs/dbraw/zinc/94/86/25/1265948625.db2.gz NUEGXNNVSYGNTD-PMPSAXMXSA-N 2 2 368.522 0.401 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001520612574 1265948631 /nfs/dbraw/zinc/94/86/31/1265948631.db2.gz NUEGXNNVSYGNTD-PMPSAXMXSA-N 2 2 368.522 0.401 10 0 FCAELP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCN(C2C[NH+](C)C2)CC1 ZINC001520660318 1265959600 /nfs/dbraw/zinc/95/96/00/1265959600.db2.gz OZVJPMSKHCWWPT-UHFFFAOYSA-N 2 2 357.462 0.294 10 0 FCAELP CC[NH+](CC)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H]1C ZINC001520725796 1265979391 /nfs/dbraw/zinc/97/93/91/1265979391.db2.gz LBYKRMPUOOVHDL-FPCVCCKLSA-N 2 2 361.490 0.971 10 0 FCAELP CCC[N@H+](C)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H]1C ZINC001520939969 1266045918 /nfs/dbraw/zinc/04/59/18/1266045918.db2.gz KQQROBPJFVOPNR-INMHGKMJSA-N 2 2 361.490 0.893 10 0 FCAELP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001330510636 1266046296 /nfs/dbraw/zinc/04/62/96/1266046296.db2.gz UBHQHCJDPKZQTO-JKSUJKDBSA-N 2 2 369.425 0.614 10 0 FCAELP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001521932043 1266236669 /nfs/dbraw/zinc/23/66/69/1266236669.db2.gz QPFHVFNLTVKKJO-UKRRQHHQSA-N 2 2 358.446 0.378 10 0 FCAELP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001521991339 1266282307 /nfs/dbraw/zinc/28/23/07/1266282307.db2.gz MDRXMPRLTGFFFS-BZUAXINKSA-N 2 2 361.490 0.895 10 0 FCAELP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001521991339 1266282316 /nfs/dbraw/zinc/28/23/16/1266282316.db2.gz MDRXMPRLTGFFFS-BZUAXINKSA-N 2 2 361.490 0.895 10 0 FCAELP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001521991339 1266282325 /nfs/dbraw/zinc/28/23/25/1266282325.db2.gz MDRXMPRLTGFFFS-BZUAXINKSA-N 2 2 361.490 0.895 10 0 FCAELP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001521991339 1266282334 /nfs/dbraw/zinc/28/23/34/1266282334.db2.gz MDRXMPRLTGFFFS-BZUAXINKSA-N 2 2 361.490 0.895 10 0 FCAELP C[C@@H](CNC(=O)C[N@@H+]1CCOCC2(CC2)C1)[NH+]1CCOCC2(CC2)C1 ZINC001335744906 1259818396 /nfs/dbraw/zinc/81/83/96/1259818396.db2.gz JJSVTUGZMMDIBZ-INIZCTEOSA-N 2 2 351.491 0.716 10 0 FCAELP 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ZINC001331949684 1266309029 /nfs/dbraw/zinc/30/90/29/1266309029.db2.gz HIYAYPAJMNESHY-AEFFLSMTSA-N 2 2 356.470 0.986 10 0 FCAELP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001331949684 1266309041 /nfs/dbraw/zinc/30/90/41/1266309041.db2.gz HIYAYPAJMNESHY-AEFFLSMTSA-N 2 2 356.470 0.986 10 0 FCAELP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H](CNC(=O)CC[NH+](C)C)C1CC1 ZINC001336980839 1260274490 /nfs/dbraw/zinc/27/44/90/1260274490.db2.gz CAALHEFRCWWCQB-OAGGEKHMSA-N 2 2 361.490 0.829 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC(C)(C)C)C1 ZINC001264432387 1260372044 /nfs/dbraw/zinc/37/20/44/1260372044.db2.gz UDYHDOCVWLIFCD-KBUPBQIOSA-N 2 2 361.490 0.923 10 0 FCAELP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CC(=O)N(C)C(C)C ZINC001264536191 1260378915 /nfs/dbraw/zinc/37/89/15/1260378915.db2.gz NLJDYZSVCDZMDH-HUUCEWRRSA-N 2 2 365.478 0.272 10 0 FCAELP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)NC(=O)NCC)[C@@H]1C ZINC001264704338 1260396933 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C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001528037758 1266940122 /nfs/dbraw/zinc/94/01/22/1266940122.db2.gz PZEIAGFTNDTUSQ-MAUKXSAKSA-N 2 2 354.495 0.386 10 0 FCAELP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC001528037758 1266940127 /nfs/dbraw/zinc/94/01/27/1266940127.db2.gz PZEIAGFTNDTUSQ-MAUKXSAKSA-N 2 2 354.495 0.386 10 0 FCAELP C[NH+]1CCCC[C@H]1CNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001528037758 1266940136 /nfs/dbraw/zinc/94/01/36/1266940136.db2.gz PZEIAGFTNDTUSQ-MAUKXSAKSA-N 2 2 354.495 0.386 10 0 FCAELP COCCOCC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@@H+]3C2)CC1 ZINC001528581501 1266981251 /nfs/dbraw/zinc/98/12/51/1266981251.db2.gz IDBFPVABJXZLBM-KZNAEPCWSA-N 2 2 353.507 0.914 10 0 FCAELP COCCOCC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@H+]3C2)CC1 ZINC001528581501 1266981257 /nfs/dbraw/zinc/98/12/57/1266981257.db2.gz IDBFPVABJXZLBM-KZNAEPCWSA-N 2 2 353.507 0.914 10 0 FCAELP C[NH+](C)CC1(C(=O)N[C@@]2(C)CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001536896636 1267343651 /nfs/dbraw/zinc/34/36/51/1267343651.db2.gz JBXGQRBEJGFIOV-LBTNJELSSA-N 2 2 359.474 0.962 10 0 FCAELP C[NH+](C)CC1(C(=O)N[C@@]2(C)CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001536896636 1267343659 /nfs/dbraw/zinc/34/36/59/1267343659.db2.gz JBXGQRBEJGFIOV-LBTNJELSSA-N 2 2 359.474 0.962 10 0 FCAELP CN(C)C(=O)C[N@@H+]1CCCN(C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001560146274 1269192716 /nfs/dbraw/zinc/19/27/16/1269192716.db2.gz GHPHQPFKPCJDJJ-NRFANRHFSA-N 2 2 374.529 0.719 10 0 FCAELP CN(C)C(=O)C[N@H+]1CCCN(C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001560146274 1269192737 /nfs/dbraw/zinc/19/27/37/1269192737.db2.gz GHPHQPFKPCJDJJ-NRFANRHFSA-N 2 2 374.529 0.719 10 0 FCAELP CN(C)C(=O)C[NH+]1CCCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001560146274 1269192740 /nfs/dbraw/zinc/19/27/40/1269192740.db2.gz GHPHQPFKPCJDJJ-NRFANRHFSA-N 2 2 374.529 0.719 10 0 FCAELP 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CC(C)N(C)C(=O)C[NH2+][C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC001566724399 1269661459 /nfs/dbraw/zinc/66/14/59/1269661459.db2.gz HZQCLLDGXNKFHS-BZUAXINKSA-N 2 2 361.490 0.875 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@](C)(C[NH2+]CC(=O)NC1CC1)C1CC1 ZINC001568028312 1269716621 /nfs/dbraw/zinc/71/66/21/1269716621.db2.gz TVAJINHPMICLRJ-SPYBWZPUSA-N 2 2 359.474 0.677 10 0 FCAELP O=C(NC/C=C\C[NH2+]CC1CCC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001568889535 1269752722 /nfs/dbraw/zinc/75/27/22/1269752722.db2.gz CBJOGJHPXLPRKU-ZSCXUVNLSA-N 2 2 351.491 0.928 10 0 FCAELP C[C@H](C[NH2+]CC(=O)NCc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001569018961 1269760311 /nfs/dbraw/zinc/76/03/11/1269760311.db2.gz YODIWHYWAAJTOS-DJIMGWMZSA-N 2 2 369.469 0.934 10 0 FCAELP Cc1nc(C)n(CC[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001571162740 1269927311 /nfs/dbraw/zinc/92/73/11/1269927311.db2.gz DBZGKSVRWKJZBP-QBPKDAKJSA-N 2 2 371.489 0.917 10 0 FCAELP CC(C)(C)CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001571435503 1269934417 /nfs/dbraw/zinc/93/44/17/1269934417.db2.gz DVGSKSRLXBKPQT-BBWFWOEESA-N 2 2 371.522 0.369 10 0 FCAELP CCc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)o1 ZINC001571580215 1269939106 /nfs/dbraw/zinc/93/91/06/1269939106.db2.gz LLHJOTPIVMKGTC-MELADBBJSA-N 2 2 353.467 0.271 10 0 FCAELP CCc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)o1 ZINC001571580215 1269939117 /nfs/dbraw/zinc/93/91/17/1269939117.db2.gz LLHJOTPIVMKGTC-MELADBBJSA-N 2 2 353.467 0.271 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH+](C)Cc2nocc2C)CC[N@@H+]1C ZINC001571601993 1269943931 /nfs/dbraw/zinc/94/39/31/1269943931.db2.gz XDWUCQHFLFTDNI-YQQAZPJKSA-N 2 2 352.479 0.964 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH+](C)Cc2nocc2C)CC[N@H+]1C ZINC001571601993 1269943932 /nfs/dbraw/zinc/94/39/32/1269943932.db2.gz XDWUCQHFLFTDNI-YQQAZPJKSA-N 2 2 352.479 0.964 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc2nocc2C)CC[NH+]1C ZINC001571601993 1269943937 /nfs/dbraw/zinc/94/39/37/1269943937.db2.gz XDWUCQHFLFTDNI-YQQAZPJKSA-N 2 2 352.479 0.964 10 0 FCAELP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc2nocc2C)CC[NH+]1C ZINC001571601993 1269943941 /nfs/dbraw/zinc/94/39/41/1269943941.db2.gz XDWUCQHFLFTDNI-YQQAZPJKSA-N 2 2 352.479 0.964 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](C[NH2+]CC(=O)N1CCC1)C(C)(C)C ZINC001571633952 1269948307 /nfs/dbraw/zinc/94/83/07/1269948307.db2.gz YRZYERKCANWRMD-IIAWOOMASA-N 2 2 361.490 0.876 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001572062162 1269993600 /nfs/dbraw/zinc/99/36/00/1269993600.db2.gz CTDKOEJKFPGOEG-KLHDSHLOSA-N 2 2 361.490 0.876 10 0 FCAELP CN(C(=O)C(=O)N1CCC[C@@](C)(F)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001344759992 1270236352 /nfs/dbraw/zinc/23/63/52/1270236352.db2.gz ZUUMWRJQTUEOEJ-QFBILLFUSA-N 2 2 368.497 0.964 10 0 FCAELP 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Cn1cc[nH+]c1CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001573087457 1270604027 /nfs/dbraw/zinc/60/40/27/1270604027.db2.gz WVAMRMQZVOKYTC-ARFHVFGLSA-N 2 2 361.490 0.848 10 0 FCAELP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001573230665 1270697497 /nfs/dbraw/zinc/69/74/97/1270697497.db2.gz GFLJOIZLFATOKM-ZBFHGGJFSA-N 2 2 358.446 0.832 10 0 FCAELP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CCN1C(=O)CC[NH+](C)C ZINC001573274296 1270730532 /nfs/dbraw/zinc/73/05/32/1270730532.db2.gz CRFXLUDAIXTNSB-BHYGNILZSA-N 2 2 361.490 0.893 10 0 FCAELP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001574315989 1271193034 /nfs/dbraw/zinc/19/30/34/1271193034.db2.gz OXIIPTNBVJZUFN-PMPSAXMXSA-N 2 2 356.430 0.726 10 0 FCAELP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001574329732 1271210224 /nfs/dbraw/zinc/21/02/24/1271210224.db2.gz MYRDBRODNZOAKA-YVSFHVDLSA-N 2 2 373.501 0.943 10 0 FCAELP 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363.506 0.594 10 0 FCAELP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H](C[NH2+]CC(=O)N1CCC1)C1CC1 ZINC001700730493 1289605127 /nfs/dbraw/zinc/60/51/27/1289605127.db2.gz MDFLMWFBDZPXNJ-OAGGEKHMSA-N 2 2 359.474 0.583 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCn1cc(Cl)cn1 ZINC001700799308 1289613447 /nfs/dbraw/zinc/61/34/47/1289613447.db2.gz FGBHTXQEXCAPPD-BFHYXJOUSA-N 2 2 366.853 0.140 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001702150770 1289755468 /nfs/dbraw/zinc/75/54/68/1289755468.db2.gz WXINOWSLYFRMPR-KLZNWCGWSA-N 2 2 359.474 0.535 10 0 FCAELP CCOCC[NH+]1CCN(c2nnc(C)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001617212675 1289825968 /nfs/dbraw/zinc/82/59/68/1289825968.db2.gz SLCIEUXQCKIQFX-INIZCTEOSA-N 2 2 366.510 0.466 10 0 FCAELP CCOCC[NH+]1CCN(c2nnc(C)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001617212675 1289825982 /nfs/dbraw/zinc/82/59/82/1289825982.db2.gz SLCIEUXQCKIQFX-INIZCTEOSA-N 2 2 366.510 0.466 10 0 FCAELP 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ZINC001629935593 1290635781 /nfs/dbraw/zinc/63/57/81/1290635781.db2.gz KZSYWHOXQTVVRG-KRWDZBQOSA-N 2 2 360.506 0.835 10 0 FCAELP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)CCc1[nH+]ccn1C ZINC001759515567 1290860441 /nfs/dbraw/zinc/86/04/41/1290860441.db2.gz KSSLSBNNPMMVFA-OAGGEKHMSA-N 2 2 363.506 0.950 10 0 FCAELP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)CCc1[nH+]ccn1C ZINC001759515567 1290860454 /nfs/dbraw/zinc/86/04/54/1290860454.db2.gz KSSLSBNNPMMVFA-OAGGEKHMSA-N 2 2 363.506 0.950 10 0 FCAELP C[C@@H]1[C@H](C(=O)N2CC[C@@](C)(CNC(=O)Cc3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC001760049698 1290874394 /nfs/dbraw/zinc/87/43/94/1290874394.db2.gz DGWZMNPVMHFSFJ-OGWOLHLISA-N 2 2 361.490 0.658 10 0 FCAELP C[C@@H]1[C@H](C(=O)N2CC[C@@](C)(CNC(=O)Cc3c[nH+]cn3C)C2)CC[N@H+]1C ZINC001760049698 1290874408 /nfs/dbraw/zinc/87/44/08/1290874408.db2.gz DGWZMNPVMHFSFJ-OGWOLHLISA-N 2 2 361.490 0.658 10 0 FCAELP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[C@@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001656359303 1291515090 /nfs/dbraw/zinc/51/50/90/1291515090.db2.gz FREFFPSVGPCKGO-RRFJBIMHSA-N 2 2 368.503 0.652 10 0 FCAELP CCO[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C[NH2+]CCOC ZINC001656477736 1291530003 /nfs/dbraw/zinc/53/00/03/1291530003.db2.gz GCOOFIRSSLZHCW-BFYDXBDKSA-N 2 2 350.463 0.545 10 0 FCAELP CC(C)NC(=O)NCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001656576157 1291548851 /nfs/dbraw/zinc/54/88/51/1291548851.db2.gz ONXWLDLDXHFUIZ-ZBFHGGJFSA-N 2 2 364.494 0.877 10 0 FCAELP CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001657040406 1291590687 /nfs/dbraw/zinc/59/06/87/1291590687.db2.gz NYQRALSXGCFUNY-OAGGEKHMSA-N 2 2 354.495 0.060 10 0 FCAELP CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001657040406 1291590693 /nfs/dbraw/zinc/59/06/93/1291590693.db2.gz NYQRALSXGCFUNY-OAGGEKHMSA-N 2 2 354.495 0.060 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)NC(C1CC1)C1CC1 ZINC001657036453 1291590709 /nfs/dbraw/zinc/59/07/09/1291590709.db2.gz VYVDUYLBWJYOQU-XYPHTWIQSA-N 2 2 362.518 0.822 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)NC(C1CC1)C1CC1 ZINC001657036453 1291590718 /nfs/dbraw/zinc/59/07/18/1291590718.db2.gz VYVDUYLBWJYOQU-XYPHTWIQSA-N 2 2 362.518 0.822 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)NC(C1CC1)C1CC1 ZINC001657036453 1291590722 /nfs/dbraw/zinc/59/07/22/1291590722.db2.gz VYVDUYLBWJYOQU-XYPHTWIQSA-N 2 2 362.518 0.822 10 0 FCAELP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)NC(C1CC1)C1CC1 ZINC001657036453 1291590726 /nfs/dbraw/zinc/59/07/26/1291590726.db2.gz VYVDUYLBWJYOQU-XYPHTWIQSA-N 2 2 362.518 0.822 10 0 FCAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001661950479 1291713337 /nfs/dbraw/zinc/71/33/37/1291713337.db2.gz RXWCIJBINFFFRP-RRFJBIMHSA-N 2 2 368.503 0.539 10 0 FCAELP CN(CC[NH2+]CC[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001663991781 1291779869 /nfs/dbraw/zinc/77/98/69/1291779869.db2.gz CLFMOGSAGQBFHJ-BFHYXJOUSA-N 2 2 354.476 0.386 10 0 FCAELP CN(CC[NH2+]CC[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001663991781 1291779876 /nfs/dbraw/zinc/77/98/76/1291779876.db2.gz CLFMOGSAGQBFHJ-BFHYXJOUSA-N 2 2 354.476 0.386 10 0 FCAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C[NH2+]Cc1nc(N(C)C)no1 ZINC001666621227 1291915581 /nfs/dbraw/zinc/91/55/81/1291915581.db2.gz XBNURXLDHSGGLZ-JHJVBQTASA-N 2 2 361.450 0.515 10 0 FCAELP CN(CCC[NH2+]CC(=O)N1CCCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001670249716 1292021174 /nfs/dbraw/zinc/02/11/74/1292021174.db2.gz OBQJLIBRUHOWKJ-HZPDHXFCSA-N 2 2 361.490 0.974 10 0 FCAELP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC(O)(C[NH2+]CC[C@H]2CCOC2)CC1 ZINC001674080554 1292131291 /nfs/dbraw/zinc/13/12/91/1292131291.db2.gz VCKBRDLGVXKSOO-ARFHVFGLSA-N 2 2 362.474 0.883 10 0 FCAELP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC(O)(C[NH2+]CC[C@H]2CCOC2)CC1 ZINC001674080554 1292131295 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